# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-09-20T18:35:14+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 1 21/a 1' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000061","5.062","0.001","8.671","0.002","4.713","0.001","90","","90.27","0.03","90","","206.9","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Aluminium hydroxide","Bayerite","- Al H3 O3 -","- Al H3 O3 -","- Al4 H12 O12 -","4","1","","Rothbauer, R; Zigan, F; O'Daniel, H","Verfeinerung der Struktur des Bayerits, Al (O H)3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1967","125","","317","331","","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1000105","20.181","0.003","5.625","0.001","9.438","0.002","90","","105","","90","","1034.9","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Octalead catena-fluorodiferrato(III)manganate(II) decafluoride","","- F24 Fe2 Mn Pb8 -","- F24 Fe2 Mn Pb8 -","- F48 Fe4 Mn2 Pb16 -","2","0.5","","Le Bail, A; Mercier, A M","Crystal structure of Pb~8~MnFe~2~F~24~","European Journal of Solid State Inorganic Chemistry","1992","29","","183","190","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000440","12.3872","0.0002","10.2046","0.0001","5.4946","0.0001","90","","100.767","0.001","90","","682.3","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Calcium dibarium bis(hydrogenphosphate(V)) bis(dihydrogenphosphate(V))","","- Ba2 Ca H6 O16 P4 -","- Ba2 Ca H3 O16 P4 -","- Ba4 Ca2 H6 O32 P8 -","2","0.5","","Toumi, M.; Chabchoub, S.; Smiri-Dogguy, L.; Laligant, Y.","Ab-initio powder structure determination of CaBa~2~(HPO~4~)~2~(H~2~PO~4~)~2~: a new phosphate with a M(TΦ~4~)~4~ chain structure","European Journal of Solid State and Inorganic Chemistry","1997","34","","1249","1257","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1001127","8.78","0.05","5.17","0.05","6.88","0.05","90","","110","1","90","","293.5","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Sodium chlorate - metastable high temperature (255C) phase III","","- Cl Na O3 -","- Cl Na O3 -","- Cl4 Na4 O12 -","4","1","","Meyer, D; Gasperin, M","Etude Structurale d'une Phase haute Temperature instable du Chlorate de Sodium","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1973","96","","18","20","","","","","","","0.16","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001271","17.788","0.011","5.277","0.004","6.607","0.005","90","","99.64","0.05","90","","611.4","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Sodium tungstate phosphate *","","- Na1.5 O32 P4 W8 -","- Na1.5 O32 P4 W8 -","- Na1.5 O32 P4 W8 -","1","0.25","","Benmmoussa, A; Groult, D; Labbe, Ph; Raveau, B","Two New Members of a Series of Monoclinic Sodium Phosphate Tungsten Bronzes Na~x~ P~4~ O~8~ (W O~3~)~2m~: Na~x~ P~4~ W~8~ O~32~ (m=4) and Na~x~ P~4~ W~12~ O~44~ (m=6)","Acta Crystallographica C (39,1983-)","1984","40","","573","576","","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001272","23.775","0.017","5.291","0.001","6.588","0.002","90","","93.47","0.04","90","","827.2","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Sodium tungstate phosphate *","","- Na1.7 O44 P4 W12 -","- Na1.7 O44 P4 W12 -","- Na1.7 O44 P4 W12 -","1","0.25","","Benmmoussa, A; Groult, D; Labbe, Ph; Raveau, B","Two New Members of a Series of Monoclinic Sodium Phosphate Tungsten Bronzes Na~x~ P~4~ O~8~ (W O~3~)~2m~: Na~x~ P~4~ W~8~ O~32~ (m=4) and Na~x~ P~4~ W~12~ O~44~ (m=6)","Acta Crystallographica C (39,1983-)","1984","40","","573","576","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001340","8.803","0.002","7.04","0.002","11.066","0.003","90","","94.12","","90","","684","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Cobalt dineptunium decafluoride octahydrate","","- Co F10 H16 Np2 O8 -","- Co F10 H16 Np2 O8 -","- Co2 F20 H32 Np4 O16 -","2","0.5","","Cousson, A; Abazli, H; Jove, J; Gasperin, M","Synthese et etude structurale des composes Co Np~2~ F~10~ (H~2~ O)~8~ et Cu Np~2~ F~10~ (H~2~ O)~6~","Journal of the Less-Common Metals","1985","109","","155","168","10.1016/0022-5088(85)90115-8","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004149","11.904","0.002","6.8321","0.0006","12.095","0.002","90","","106.989","0.005","90","","941","2","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Caesium dioxouranium tris(vanadate)","","- Cs O11 U V3 -","- Cs O11 U V3 -","- Cs4 O44 U4 V12 -","4","1","","Duribreux, I.; Dion, C.; Abraham, F.; Saadi, M.","CsUV~3~O~11~, a new uranyl vanadate with a layered structure","Journal of Solid State Chemistry","1999","146","1","258","265","10.1006/jssc.1999.8349","","","","","","","0.046","","","0.045","","","","","","","","","","","has coordinates","208739","2020-10-21","18:00:00",""
"1006039","7.7063","0.0004","7.6568","0.0003","5.7889","0.0002","90","","90.434","0.003","90","","341.6","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Potassium tetrafluoromanganate(III)","","- F4 K Mn -","- F4 K Mn -","- F16 K4 Mn4 -","4","1","","Morón, M. C.; Palacio, F.; Rodriguez-Carvajal, J.","Neutron powder diffraction experiments on AMnF~4~ (A = K, Rb): nuclear and magnetic structures","Physica B: Condensed Matter","1992","180","","125","127","10.1016/0921-4526(92)90681-H","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","174781","2020-10-21","18:00:00",""
"1007071","12.053","0.005","7.205","0.001","12.354","0.006","90","","110.85","0.05","90","","1002.6","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Thallium sulfate hexahydroxotellurate","","- H6 O10 S Te Tl2 -","- H6 O10 S Te Tl2 -","- H24 O40 S4 Te4 Tl8 -","4","1","","Zilber, R; Durif, A; Averbuch-Pouchot, M T","Structure of Thallium Sulfate Tellurate (Te (O H)~6~) (Tl~2~ S O~4~)","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1554","1556","10.1107/S0567740882006359","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007086","15.56","0.01","8.358","0.003","13.72","0.01","90","","113.27","0.05","90","","1639.1","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Rubidium cyclo-triphosphate telluric acid hydrate","","- H8 O16 P3 Rb3 Te -","- H6 O16 P3 Rb3 Te -","- H24 O64 P12 Rb12 Te4 -","4","1","","Boudjada, N; Durif, A","Structure d'un trimetaphosphate-tellurate de rubidium monohydrate: Te (O H)~6~ Rb~3~ P~3~ H~2~ O","Acta Crystallographica B (24,1968-38,1982)","1982","38","","595","597","10.1107/S0567740882003458","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007138","12.26","0.01","7.059","0.003","8.225","0.003","90","","90.32","0.05","90","","711.8","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Telluric acid rubidium hydrogenphosphate dihydrogenphosphate","","- H9 O14 P2 Rb3 Te -","- H10.5 O14 P2 Rb3 Te -","- H21 O28 P4 Rb6 Te2 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Structure cristalline d'un phospho-tellurate de rubidium: Te (O H)~6~ Rb~2~ (H P O~4~) Rb (H~2~ P O~4~)","Materials Research Bulletin","1979","14","","1219","1223","10.1016/0025-5408(79)90217-4","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007144","9.606","0.005","6.236","0.005","7.738","0.005","90","","109.07","0.05","90","","438.1","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Rubidium dihydrogenphosphate","","- H2 O4 P Rb -","- H2 O4 P Rb -","- H8 O16 P4 Rb4 -","4","1","","Averbuch-Pouchot, M T; Durif, A","Structure of a New Form of Rubidium Dihydrogenphosphate, Rb H~2~ P O~4~","Acta Crystallographica C (39,1983-)","1985","41","","665","667","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007164","8.51","0.005","14.303","0.008","8.487","0.005","90","","96.51","0.02","90","","1026.4","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetrapotassium copper bis(cyclo-triphosphate) tetrahydrate","","- Cu H8 K4 O22 P6 -","- Cu H8 K4 O22 P6 -","- Cu2 H16 K8 O44 P12 -","2","0.5","","Durif, A; Averbuch-Pouchot, M T","Structure of tetrapotassium copper cyclo-triphosphate tetrahydrate.","Acta Crystallographica C (39,1983-)","1987","43","","819","821","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007176","9.667","","12.358","","6.17","","90","","92.27","0.17","90","","736.5","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Tetrasodium cyclo-tetraphosphate tetrahydrate - monoclinic","","- H8 Na4 O16 P4 -","- H8 Na4 O16 P4 -","- H16 Na8 O32 P8 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","Contribution to the crystal chemistry of tetrametaphosphates (I).","Journal of Solid State Chemistry","1985","58","","119","132","10.1016/0022-4596(85)90275-0","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007178","20.38","0.01","12.683","0.005","7.83","0.002","90","","89.31","0.05","90","","2023.7","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate","","- Ca4 H16 K4 O44 P12 -","- Ca4 H16 K4 O44 P12 -","- Ca8 H32 K8 O88 P24 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal structures of two new types of cyclo-tetraphosphates: tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and calcium disodium cyclo-tetraphosphate 5.5-hydrate","Acta Crystallographica C (39,1983-)","1988","44","","212","216","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007204","9.634","0.001","18.112","0.008","7.292","0.003","90","","103.86","0.05","90","","1235.3","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetrakis(guanidinium) cyclo-tetraphosphate tetrahydrate","","- C4 H32 N12 O16 P4 -","- C4 H32 N12 O16 P4 -","- C8 H64 N24 O32 P8 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","(Tris)guanidinium cyclotriphosphate and (tetra)guanidinium cyclotetraphosphate: two new examples of organic-cation cyclophosphates","European Journal of Solid State Inorganic Chemistry","1993","30","","471","482","","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1007205","9.058","0.007","11.199","0.008","7.764","0.006","90","","108.4","0.01","90","","747.3","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Diammonium dihydrogendiphosphate","","- H10 N2 O7 P2 -","- H10 N2 O7 P2 -","- H40 N8 O28 P8 -","4","1","","Averbuch-Pouchot, M T; Durif, A","Crystal structure of diammonium-dihydrogeno-diphosphate: (NH~4~)~2~H~2~P~2~O~7~","European Journal of Solid State Inorganic Chemistry","1992","29","","191","198","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","186518","2020-10-21","18:00:00",""
"1007219","20.38","0.01","12.683","0.005","7.83","0.002","90","","89.31","","90","","2023.7","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetracalcium tetrapotassium cyclo-tetraphosphate octahydrate","","- Ca4 H16 K4 O44 P12 -","- Ca4 H16 K4 O44 P12 -","- Ca8 H32 K8 O88 P24 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal Structures of Two New Types of cyclo-Tetraphosphates: Tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and Calcium disodium cyclo-tetraphosphate 5.5-hydrate","Acta Crystallographica C (39,1983-)","1988","44","","212","216","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007236","18.32999","0.09","5.45","0.04","9.25","0.06","90","","90.14","0.08","90","","924.1","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Caesium zinc phosphate(V) - III","","- Cs O4 P Zn -","- Cs O4 P Zn -","- Cs8 O32 P8 Zn8 -","8","2","","Blum, D; Durif, A; Averbuch-Pouchot, M T","Crystal structures of the three forms of Cs Zn P O4","Ferroelectrics","1986","69","","283","292","10.1080/00150198608008201","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007247","5.212","0.003","9.913","0.005","4.475","0.003","90","","97.46","0.1","90","","229.3","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Dinickel diphosphate","","- Ni2 O7 P2 -","- Ni2 O7 P2 -","- Ni4 O14 P4 -","2","0.5","","Masse, R; Guitel, J C; Durif, A","Structure cristalline d'une nouvelle variante de pyrophosphate de nickel Ni2 P2 O7","Materials Research Bulletin","1979","14","","337","341","10.1016/0025-5408(79)90098-9","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008008","9.525","0.002","9.989","0.003","9.461","0.002","90","","92.01","","90","","899.6","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","DILITHIUM MERCURY CATENA-PHOSPHATE","","- Hg Li2 O12 P4 -","- Hg Li2 O12 P4 -","- Hg4 Li8 O48 P16 -","4","1","","Averbuch-Pouchot, M T; Tordjman, I; Guitel, J C","Structures cristallines des polyphosphates de cadmium-lithium et de mercure-lithium Cd Li~2~ (P O~3~)~4~ et Hg Li~2~ (P O~3~)~4~","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2953","2956","10.1107/S0567740876009357","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008183","9.716","0.003","7.704","0.003","9.209","0.003","90","","103.73","0.02","90","","669.6","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Copper silver trihydrogenbis(arsenate)","","- Ag As2 Cu H3 O8 -","- Ag As2 Cu H3 O8 -","- Ag4 As8 Cu4 H12 O32 -","4","1","","Boudjada, A; Masse, R; Guitel, J C","Structure Cristalline d'un Orthoarseniate Acide Mixte de Cuivre(II)- Argent: Cu Ag H~3~ (As O~4~)~2~","Acta Crystallographica B (24,1968-38,1982)","1982","38","","710","713","10.1107/S0567740882003926","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008218","15.43","0.01","5.512","0.005","13.72","0.01","90","","108.53","0.05","90","","1106.4","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Lithium potassium catena-phosphate","","- K Li O6 P2 -","- K Li O6 P2 -","- K8 Li8 O48 P16 -","8","2","","El Horr, N; Bagieu, M; Tordjman, I","Structure d'un polyphosphate mixte de lithium et de potassium, Li K (P O~3~)~2~","Acta Crystallographica C (39,1983-)","1983","39","","1597","1599","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008241","14.891","0.005","7.604","0.005","9.62","0.006","90","","96.02","0.05","90","","1083.3","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Mercury diammonium dichloride dichromate","","- Cl2 Cr2 H8 Hg N2 O7 -","- Cl2 Cr2 H8 Hg N2 O7 -","- Cl8 Cr8 H32 Hg4 N8 O28 -","4","1","","Averbuch-Pouchot, M T; El-Horr, N; Guitel, J C","Structures of Mercury Dichloride - Dipotassium Dichromate (1/1), Hg Cl~2~ K~2~ Cr~2~ O~7~, and Mercury Dichloride - Diammonium Dichromate (1/1), Hg Cl~2~ ((N H~4~)~2~ Cr~2~ O~7~)","Acta Crystallographica C (39,1983-)","1984","40","","725","728","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008247","8.606","0.003","6.346","0.003","6.811","0.003","90","","94.16","0.01","90","","371","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","COPPER HYDROGENPHOSPHATE HYDRATE","","- Cu H3 O5 P -","- Cu H3 O5 P -","- Cu4 H12 O20 P4 -","4","1","","Boudjada, A","Structure cristalline de l'orthophosphate monoacide de cuivre monohydrate Cu (H P O~4~) (H~2~ O)","Materials Research Bulletin","1980","15","","1083","1090","10.1016/0025-5408(80)90070-7","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008270","13.34","0.01","7.16","0.005","6.939","0.005","90","","100.14","","90","","652.4","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Telluric acid dipotassium nitrate dihydrate","","- H10 K2 N2 O14 Te -","- H10 K2 N2 O14 Te -","- H20 K4 N4 O28 Te2 -","2","0.5","","Averbuch-Pouchot, M T","Crystal structure of Te(O H)~6~ * 2 K N O~3~ * 2 H~2~ O: an addition compound of telluric acid","Zeitschrift fuer Kristallographie (149,1979-)","1984","167","","247","252","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008436","9.67","0.005","14.231","0.01","6.265","0.005","90","","100.1","0.07","90","","848.8","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Caesium hydrogen molybdatodiphosphate","","- Cs H Mo O9 P2 -","- Cs H Mo O9 P2 -","- Cs4 H4 Mo4 O36 P8 -","4","1","","Averbuch-Pouchot, M T","Synthesis and Crystal Structure of Cs H Mo O~2~ (P~2~ O~7~)","Journal of Solid State Chemistry","1989","79","","296","299","10.1016/0022-4596(89)90279-X","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008657","14.546","0.01","15.211","0.01","9.86","0.006","90","","105.12","0.04","90","","2106.1","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Dipotassium tetramanganese cyclo-decaphosphate 18-hydrate","","- H36 K2 Mn4 O48 P10 -","- H36 K2 Mn4 O48 P10 -","- H72 K4 Mn8 O96 P20 -","2","0.5","","Schuelke, U; Averbuch-Pouchot, M T","Preparation and crystal structure of potassium manganese cyclodecaphosphate octadecahydrate: K~2~Mn~4~P~10~O~30~ . 18H~2~O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","545","550","10.1002/zaac.19946200327","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008944","18.01399","0.008","8.535","0.003","11.584","0.005","90","","104.48","0.02","90","","1724.5","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Dibarium trilithium heptakis(catena-phosphate)","","- Ba2 Li3 O21 P7 -","- Ba2 Li3 O21 P7 -","- Ba8 Li12 O84 P28 -","4","1","","El Horr, N; Bagieu, M; Guitel, J C; Tordjman, I","Crystal data and crystal structure of barium-lithium polyphosphate Ba2 Li3 (P O3)7","Zeitschrift fuer Kristallographie (149,1979-)","1984","169","","73","82","10.1524/zkri.1984.169.1-4.73","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010207","9.51","","11.93","","4.23","","90","","90","0","90","","479.9","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Potassium tetrabromoaurate dihydrate","","- Au Br4 H4 K O2 -","- Au Br4 H4 K O2 -","- Au2 Br8 H8 K2 O4 -","2","0.5","","Cox, E. G.; Webster, K. C.","The Stereochemistry of Quadricovalent Atoms: Tervalent Gold","Journal of the Chemical Society","1936","1936","","1635","1637","10.1039/JR9360001635","","","","","","","","","","","","","","","","","","","","","has coordinates","188738","2020-10-21","18:00:00",""
"1010467","8.25","","4.95","","8.44","","90","","107.9","","90","","328","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Lithium sulfate","","- Li2 O4 S -","- Li2 O4 S -","- Li8 O16 S4 -","4","1","","Albright, J G","The Crystal Structure of Lithium Sulphate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1932","84","","150","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010753","15.68","0.05","19.01","0.05","4.03","0.01","90","","94.8","0.5","90","","1197","","","","","","","","","","","","from Cornwall, England","4","P 1 21/a 1","-P 2yab","14","","Tetralead iron hexaantimony sulfide","Jamesonite","- Fe Pb4 S14 Sb6 -","","","2","0.5","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1011227","15.33","","7.28","","7.07","","90","","95.41","","90","","785.5","","","","","","","","","","","","from Cziklova, Banat","3","P 1 21/a 1","-P 2yab","14","","Calcium catena-trisilicate","Wollastonite 2M","- Ca3 O9 Si3 -","- Ca3 O9 Si3 -","- Ca12 O36 Si12 -","4","1","","Barnick, M","Strukturuntersuchungen des natuerlichen Wollastonits","Diss. Univ. Berlin","1936","1936","","1","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100672","16.152","0.006","10.127","0.005","11.45","0.005","90","","105.48","0.03","90","","1805","1.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","5-chloro-2-methyl-4-isothiazoline-3-one and 4,4'-ethylidenebisphenol","5-chloro-2-methyl-4-isothiazoline-3-one 4,4'-ethane-1,1-diyldiphenol","","- C18 H18 Cl N O3 S -","- C18 H18 Cl N O3 S -","- C72 H72 Cl4 N4 O12 S4 -","4","1","","Sekine, Akiko; Jomoto, Kohei; Uekusa, Hidehiro; Ohashi, Yuji; Yagi, Minoru","Crystal Structure of a Host-guest Complex of 4,4'-Ethylidenebisphenol and 5-Chloro-2-methyl-4-isothiazoline-3-one","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x45","x46","10.2116/analscix.19.x45","","","0.71069","MoKα","","0.1098","0.052","","","0.1251","0.146","","","","","","1.028","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1100673","12.402","0.002","10.257","0.002","11.295","0.003","90","","96.856","0.01","90","","1426.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","CMI gallate","5-chloro-2-methylisothiazol-3(2H)-one methyl 1,3,4,5-trihydroxybenzoate","","- C12 H12 Cl N O6 S -","- C12 H12 Cl N O6 S -","- C48 H48 Cl4 N4 O24 S4 -","4","1","","Sekine, Akiko; Mitsumori, Takahiro; Uekusa, Hidehiro; Ohashi, Yuji; Yagi, Minoru","Crystal Structure of a Host-guest Complex of 4,4'-Ethylidenebisphenol and 5-Chloro-2-methyl-4-isothiazoline-3-one","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x47","x48","10.2116/analscix.19.x47","","","0.71073","MoKα","","0.0649","0.0392","","","0.1096","0.1251","","","","","","0.913","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1100940","13.702","0.0008","13.805","0.0011","15.196","0.0012","90","0.006","101.52","0.006","90","0.006","2816.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C28 H22 Cl N7 O6 Ru -","- C28 H22 Cl N7 O6 Ru -","- C112 H88 Cl4 N28 O24 Ru4 -","4","1","","Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri","Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects","Inorganic Chemistry","2005","44","","3499","3511","10.1021/ic048184w","","","0.7093","MoKα","","0.0428","0.033","","","0.0757","0.0817","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101072","12.159","0.001","5.038","0.002","12.491","0.002","90","","108.87","0.01","90","","724.038","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","N-(Aminoiminomethyl)-N-methylglycine monohydrate","","","- C4 H11 N3 O3 -","- C4 H11 N3 O3 -","- C16 H44 N12 O12 -","4","1","","Arakali, Aruna V.; McCloskeyt, J.; Parthasarathy, R.; Alderfer, J. L.; Chheda, G. B.; Srikrishnan, T.","Study of Creatinine and its 5-Alkoxy Analogs: Structure and Conformational Studies in the Solid and Solution States by X-Ray Crystallography, NMR, UV and Mass Spectrometry","Nucleosides & Nucleotides","1997","16","12","2193","2218","10.1080/07328319708002567","","","","","","","","","","","","","","","","","","","","","has coordinates","210094","2020-10-21","18:00:00",""
"1101076","15.75","0.006","19.125","0.003","4.03","0.004","90","","91.68","0.08","90","","1213.4","1.3","296","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","Iron tetralead hexaantimony sulfide","Jamesonite","- Fe Pb4 S14 Sb6 -","- Fe Pb4 S14 Sb6 -","- Fe2 Pb8 S28 Sb12 -","2","0.5","","Matsushita, Yoshitaka; Ueda, Yutaka","Structure and Physical Properties of 1D Magnetic Chalcogenide, Jamesonite (FePb4Sb6S14)","Inorg. Chem.","2003","42","","7830","7838","10.1021/ic034634t","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1200021","12.4556","0.0004","11.41","0.0007","9.8681","0.0007","90","","101.318","0.004","90","","1375.2","0.1","297","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H12 O7 -","- C16 H12 O7 -","- C64 H48 O28 -","4","1","","Fujii, Isao; Hirayama, Noriaki","Structure of Capillarisin","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","X63","X64","10.2116/analscix.19.x63","","","1.5418","CuKα","","","0.04","","","","0.148","","","","","","1.21","","","","has coordinates","274643","2022-04-22","16:48:32",""
"1502139","11.8709","0.0017","18.0107","0.0017","9.9332","0.0015","90","","117.349","0.0087","90","","1886.4","0.5","80","","80","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","6,10-dimethyl-15b-phosphanaphtho[1,8-ab]perylene","","","- C28 H19 P -","- C28 H19 P -","- C112 H76 P4 -","4","1","","Hatakeyama, Takuji; Hashimoto, Sigma; Nakamura, Masaharu","Tandem phospha-Friedel-Crafts reaction toward curved π-conjugated frameworks with a phosphorus ring junction.","Organic letters","2011","13","8","2130","2133","10.1021/ol200571s","powder diffraction","","1.3","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502480","7.4161","0.0011","13.563","0.002","29.24","0.004","90","","90","","90","","2941.1","0.7","291","2","291","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H14 N2 S -","- C18 H14 N2 S -","- C144 H112 N16 S8 -","8","2","","Huang, Guoli; Sun, Hongsheng; Qiu, Xiaojie; Jin, Can; Lin, Chen; Shen, Yingzhong; Jiang, Juli; Wang, Leyong","Ligand-free copper-catalyzed regioselective C-2 arylation of imidazo[2,1-b]thiazoles.","Organic letters","2011","13","19","5224","5227","10.1021/ol2021109","","","0.71073","MoKα","","0.0914","0.0606","","","0.1339","0.1417","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502609","7.632","0.003","11.523","0.005","16.749","0.008","90","","98.856","0.006","90","","1455.4","1.1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","NMe2_BF2","","","- C15 H16 B F2 N3 O -","- C15 H16 B F2 N3 O -","- C60 H64 B4 F8 N12 O4 -","4","1","","Kubota, Yasuhiro; Hara, Hiroshi; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of novel pyrazine-boron complexes bearing a β-iminoketone ligand.","Organic letters","2011","13","24","6544","6547","10.1021/ol202819w","","","0.71075","MoKα","","0.1839","0.1153","","","0.2703","0.2966","","","","","","1.44","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502695","8.6041","0.0002","7.8833","0.0001","18.1199","0.0003","90","","101.13","0.0008","90","","1205.93","0.04","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C24 H36 O8 -","- C24 H36 O8 -","- C48 H72 O16 -","2","0.5","","Balomenou, Ioanna; Kaloudi-Chantzea, Antonia; Bokias, Georgios; Kallitsis, Joannis K.; Raptopoulou, Catherine P.; Terzis, Aris; Pistolis, George","Medium effect on the geometric isomerism of a centrosymmetrically disubstituted naphthalene derivative with flexible methoxytriethylene glycol chains.","The journal of physical chemistry. B","2010","114","24","8181","8190","10.1021/jp103095z","","","1.5418","CuKα","","0.0631","0.0579","","","0.1666","0.1718","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502719","20.2439","0.0014","14.5966","0.0009","21.7947","0.0016","90","","100.403","0.002","90","","6334.3","0.7","153","2","153","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","C60Ph5BuBr","","- C107 H47 Br -","- C107 H47 Br -","- C428 H188 Br4 -","4","1","","Matsuo, Yutaka; Lacher, Sebastian; Sakamoto, Aiko; Matsuo, Keiko; Nakamura, Eiichi","Conical Pentaaryl[60]fullerene Thiols: Self-Assembled Monolayers on Gold and Photocurrent Generating Property","The Journal of Physical Chemistry C","2010","114","41","17741","","10.1021/jp1059402","","x-ray","0.71073","MoKα","","0.1639","0.1178","","","0.3297","0.3793","","","","","","1.232","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502948","11.701","0.007","5.714","0.003","17.818","0.011","90","","96.491","0.009","90","","1183.7","1.2","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Nakamura, Itaru; Okamoto, Masashi; Terada, Masahiro","Gold-catalyzed cyclization and subsequent arylidene group transfer of O-propioloyl oximes.","Organic letters","2010","12","11","2453","2455","10.1021/ol100581m","","","0.7107","MoKα","","","0.0398","","","","0.0881","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502983","8.0518","0.0006","15.3345","0.0012","8.7652","0.0007","90","","96.317","0.002","90","","1075.67","0.14","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H11 N S2 -","- C11 H11 N S2 -","- C44 H44 N4 S8 -","4","1","","Gontier, Elodie; Bellec, Nathalie; Brignou, Pierre; Gohier, Arnaud; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Pyridyldithiafulvenes as precursors of coordination-driven self-assembled redox active macrocycle.","Organic letters","2010","12","10","2386","2389","10.1021/ol1007422","","x-ray","0.71073","MoKα","","0.0334","0.0313","","","0.0811","0.0825","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503076","9.73374","0.00019","10.3541","0.0002","15.0615","0.0003","90","","82.338","0.0011","90","","1504.41","0.05","123.1","","123.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H23 N O -","- C17 H23 N O -","- C68 H92 N4 O4 -","4","1","","Nishimoto, Yoshihiro; Ueda, Hiroki; Inamoto, Yoshihiro; Yasuda, Makoto; Baba, Akio","Regioselective carboindation of simple alkenes with indium tribromide and ketene silyl acetals.","Organic letters","2010","12","15","3390","3393","10.1021/ol1012108","","","1.54187","CuKα","","","0.069","","","","0.0893","","","","","","0.943","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503087","10.2808","0.0003","15.2707","0.0005","12.1045","0.0004","90","","95.07","0.002","90","","1892.91","0.1","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C24 H26 O2 -","- C24 H26 O2 -","- C96 H104 O8 -","4","1","","Ogoshi, Sensuke; Nishimura, Akira; Ohashi, Masato","Nickel-catalyzed [2 + 2 + 2] cycloaddition of two enones and an alkyne.","Organic letters","2010","12","15","3450","3452","10.1021/ol101264r","","","1.54186","CuKα","","0.0752","0.0509","","","0.1148","0.1421","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503180","9.956","0.006","20.04","0.01","11.392","0.007","90","","109.09","0.02","90","","2148","2","123.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H35 Cl O2 Si -","- C20 H35 Cl O2 Si -","- C80 H140 Cl4 O8 Si4 -","4","1","","Matsuo, Jun-ichi; Kawano, Mizuki; Okuno, Ryosuke; Ishibashi, Hiroyuki","Titanium(IV) chloride-mediated carbon-carbon bond-forming reaction between 3,3-dialkylcyclobutanones and aldehydes.","Organic letters","2010","12","17","3960","3962","10.1021/ol101653b","","","0.7107","MoKα","","","0.0619","","","","0.0753","","","","","","1.046","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503188","10.266","0.003","16.834","0.007","11.491","0.006","90","","114.101","0.015","90","","1812.7","1.3","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","1","","Shintani, Ryo; Soh, Ying-Teck; Hayashi, Tamio","Rhodium-catalyzed asymmetric arylation of azomethine imines.","Organic letters","2010","12","18","4106","4109","10.1021/ol101700v","","","0.71075","MoKα","","0.0708","0.0534","","","0.1412","0.1528","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503280","9.588","0.004","18.682","0.009","11.326","0.007","90","","108.987","0.019","90","","1918.4","1.7","200.1","","200.1","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C25 H16 N6 -","- C25 H16 N6 -","- C100 H64 N24 -","4","1","","Suzuki, Shuichi; Fukui, Kozo; Fuyuhiro, Akira; Sato, Kazunobu; Takui, Takeji; Nakasuji, Kazuhiro; Morita, Yasushi","Hexaazaphenalene derivatives: one-pot synthesis, hydrogen-bonded chiral helix, and fluorescence properties.","Organic letters","2010","12","21","5036","5039","10.1021/ol102200v","","","0.71075","MoKα","","","0.0377","","","","0.109","","","","","","1.067","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503321","12.191","0.003","7.1808","0.0017","13.68","0.003","90","","103.631","0.004","90","","1163.8","0.5","123.1","","123","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 Cu O5 S -","- C10 H12 Cu O5 S -","- C40 H48 Cu4 O20 S4 -","4","1","","Matsuo, Kazumasa; Shindo, Mitsuru","Cu(II)-catalyzed acylation by thiol esters under neutral conditions: tandem acylation-wittig reaction leading to a one-pot synthesis of butenolides.","Organic letters","2010","12","22","5346","5349","10.1021/ol102407k","","","0.7107","MoKα","","","0.0264","","","","0.0723","","","","","","1.019","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503427","17.276","0.005","17.432","0.005","18.466","0.005","90","","91.919","0.013","90","","5558","3","200.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C56.3 H46.3 Cl3.9 F12 N3 P2 -","- C56.15 H46.15 Cl3.375 F12 N3 P2 -","- C224.6 H184.6 Cl13.5 F48 N12 P8 -","4","1","","Matsumoto, Kouzou; Inokuchi, Daisuke; Hirao, Yasukazu; Kurata, Hiroyuki; Sato, Kazunobu; Takui, Takeji; Kubo, Takashi","Synthesis and identification of a trimethylenemethane derivative pi-extended with three pyridinyl radicals.","Organic letters","2010","12","4","836","839","10.1021/ol902937k","","","0.71075","MoKα","","","0.0975","","","","0.3416","","","","","","1.305","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503582","9.587","0.004","6.368","0.002","27.417","0.011","90","","96.254","0.006","90","","1663.8","1.1","103","2","103","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Kawasumi, Katsuaki; Mochida, Kenji; Kajino, Tomonori; Segawa, Yasutomo; Itami, Kenichiro","Pd(OAc)2/o-chloranil/M(OTf)n: a catalyst for the direct C-H arylation of polycyclic aromatic hydrocarbons with boryl-, silyl-, and unfunctionalized arenes.","Organic letters","2012","14","1","418","421","10.1021/ol203235w","","","0.7107","MoKα","","0.1623","0.0909","","","0.214","0.2694","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503862","14.8","0.006","14.463","0.006","16.996","0.007","90","","90.6671","0.0018","90","","3638","3","103","2","103","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C52 H38 -","- C52 H38 -","- C208 H152 -","4","1","","Kitazawa, Kentaroh; Kochi, Takuya; Sato, Mitsuo; Kakiuchi, Fumitoshi","Convenient synthesis of tetra- and hexaarylanthracenes by means of RuH2(CO)(PPh3)3-catalyzed C-H arylation of anthraquinone with arylboronates.","Organic letters","2009","11","9","1951","1954","10.1021/ol900393x","","","0.7107","MoKα","","0.0514","0.0481","","","0.1193","0.1226","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503980","11.5118","0.0008","8.8192","0.0006","17.5093","0.0014","90","","105.927","0.003","90","","1709.4","0.2","173.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H18 Cl N O6 -","- C17 H18 Cl N O6 -","- C68 H72 Cl4 N4 O24 -","4","1","","Yamazaki, Shoko; Morikawa, Satoshi; Miyazaki, Kazuya; Takebayashi, Masachika; Yamamoto, Yuko; Morimoto, Tsumoru; Kakiuchi, Kiyomi; Mikata, Yuji","Zinc-catalyzed reactions of ethenetricarboxylates with 2-(trimethylsilylethynyl)anilines leading to bridged quinoline derivatives.","Organic letters","2009","11","13","2796","2799","10.1021/ol900960q","","","0.7107","MoKα","","","0.044","","","","0.1197","","","","","","1.048","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504007","7.518","0.003","27.568","0.008","12.404","0.004","90","","105.52","0.02","90","","2477.1","1.5","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H20 Cl2 N6 O4 -","- C28 H20 Cl2 N6 O4 -","- C112 H80 Cl8 N24 O16 -","4","1","","Sinan, Mominul; Panda, Manashi; Banerjee, Priyabrata; Shinisha, C. B.; Sunoj, Raghavan B.; Goswami, Sreebrata","Synthesis of azoaromatic dyes via redox driven C-N bond fusion.","Organic letters","2009","11","15","3218","3221","10.1021/ol9011184","","","0.71073","MoKα","","0.1195","0.0565","","","0.0911","0.1109","","","","","","0.963","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504239","7.578","0.004","17.794","0.01","8.169","0.005","90","","87.67","0.04","90","","1100.6","1.1","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","ethyl 1-hydroxy-4-(methylamino)-2-naphthoate","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Kise, Naoki; Isemoto, Shinsaku; Sakurai, Toshihiko","Electroreductive coupling of phthalimides with alpha,beta-unsaturated esters: unusual rearrangement of resulting silyl ketene acetals.","Organic letters","2009","11","21","4902","4905","10.1021/ol902016a","","","0.71075","MoKα","","0.0781","0.0435","","","0.1066","0.1194","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504251","22.641","0.004","5.6658","0.0016","22.789","0.006","90","","85.983","0.011","90","","2916.2","1.2","123.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H20 N2 O3 S -","- C13 H20 N2 O3 S -","- C104 H160 N16 O24 S8 -","8","2","","Namba, Kosuke; Shoji, Isamu; Nishizawa, Mugio; Tanino, Keiji","4-Aminopyridine catalyzed direct and regioselective acylation of N-tosylhydrazide.","Organic letters","2009","11","21","4970","4973","10.1021/ol9021194","","","0.71075","MoKα","","","0.1074","","","","0.1751","","","","","","0.801","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504281","18.099","0.004","8.285","0.003","19.042","0.005","90","","105.218","0.009","90","","2755.2","1.4","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C60 H44 Br4 Cl6 N2 O4 -","- C60 H44 Br4 Cl6 N2 O4 -","- C120 H88 Br8 Cl12 N4 O8 -","2","0.5","","Nakazono, Satomi; Easwaramoorthi, Shanmugam; Kim, Dongho; Shinokubo, Hiroshi; Osuka, Atsuhiro","Synthesis of arylated perylene bisimides through C-H bond cleavage under ruthenium catalysis.","Organic letters","2009","11","23","5426","5429","10.1021/ol902271b","","","0.71075","MoKα","","0.1006","0.0727","","","0.215","0.2335","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504361","10.954","0.004","7.526","0.003","12.334","0.006","90","","102.81","0.02","90","","991.5","0.7","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H14 Fe -","- C12 H14 Fe -","- C48 H56 Fe4 -","4","1","","Lousada, Claudio M.; Pinto, Susana S.; Lopes, José N Canongia; da Piedade, M. Fatima Minas; Diogo, Hermínio P; da Piedade, Manuel E Minas","Experimental and molecular dynamics simulation study of the sublimation and vaporization energetics of iron metalocenes. crystal structures of Fe(eta5-C5H4CH3)2 and Fe[(eta5-(C5H5)(eta5-C5H4CHO)].","The journal of physical chemistry. A","2008","112","13","2977","2987","10.1021/jp7107818","","","0.71073","MoKα","","0.1041","0.0798","","","0.2026","0.2201","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504476","17.072","0.001","5.6379","0.0003","18.96","0.001","90","","99.389","0.002","90","","1800.46","0.17","273.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H20 O S -","- C22 H20 O S -","- C88 H80 O4 S4 -","4","1","","Yamashita, Fumikazu; Kuniyasu, Hitoshi; Terao, Jun; Kambe, Nobuaki","Platinum-catalyzed regio- and stereoselective arylthiolation of internal alkynes.","Organic letters","2008","10","1","101","104","10.1021/ol7025069","","","0.7107","MoKα","","","0.0387","","","","0.084","","","","","","1.045","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504525","17.924","0.004","8.0399","0.0016","21.091","0.004","90","","103.35","0.004","90","","2957.2","1","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C41 H30 N3 P -","- C41 H30 N3 P -","- C164 H120 N12 P4 -","4","1","","Matano, Yoshihiro; Nakashima, Makoto; Nakabuchi, Takashi; Imahori, Hiroshi; Fujishige, Shinya; Nakano, Haruyuki","Monophosphaporphyrins: oxidative pi-extension at the peripherally fused carbocycle of the phosphaporphyrin ring.","Organic letters","2008","10","4","553","556","10.1021/ol7029118","","","0.7107","MoKα","","0.1019","0.0781","","","0.1276","0.1399","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504694","11.1771","0.0004","14.9463","0.0005","11.0961","0.0006","90","","122.578","0.001","90","","1562.01","0.12","274.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","1","","Minami, Yasunori; Kuniyasu, Hitoshi; Kambe, Nobuaki","One-pot syntheses of 2,3-dihydrothiopyran-4-one derivatives by Pd/Cu-catalyzed reactions of alpha,beta-unsaturated thioesters with propargyl alcohols.","Organic letters","2008","10","12","2469","2472","10.1021/ol800754w","","","0.7107","MoKα","","","0.0744","","","","0.1844","","","","","","2.843","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504945","7.6258","0.0002","13.1985","0.0003","16.3312","0.0005","90","","100.566","0.001","90","","1615.85","0.07","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H16 Cs N O7 -","- C14 H16 Cs N O7 -","- C56 H64 Cs4 N4 O28 -","4","1","","Tellam, James P.; Kociok-Köhn, Gabriele; Carbery, David R.","An Ireland-Claisen approach to beta-alkoxy alpha-amino acids.","Organic letters","2008","10","22","5199","5202","10.1021/ol802169j","","","0.71073","MoKα","","0.0429","0.0329","","","0.0774","0.0831","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504968","11.563","0.003","12.755","0.003","11.583","0.003","90","","98.139","0.003","90","","1691.1","0.7","113.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H20 Cl3 O2 P2 Rh -","- C9 H20 Cl3 O2 P2 Rh -","- C36 H80 Cl12 O8 P8 Rh4 -","4","1","","Kashiwabara, Taigo; Fuse, Kouichiro; Hua, Ruimao; Tanaka, Masato","Rhodium-complex-catalyzed addition reactions of chloroacetyl chlorides to alkynes.","Organic letters","2008","10","23","5469","5472","10.1021/ol802260w","","","0.7107","MoKα","","","0.044","","","","0.058","","","","","","0.988","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505016","8.346","0.001","14.28","0.004","8.376","0.003","90","","93.43","0.02","90","","996.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H14 Cl4 Cu2 N10 -","- C14 H14 Cl4 Cu2 N10 -","- C28 H28 Cl8 Cu4 N20 -","2","0.5","","Tardito, Saverio; Bussolati, Ovidio; Maffini, Monica; Tegoni, Matteo; Giannetto, Marco; Dall'asta, Valeria; Franchi-Gazzola, Renata; Lanfranchi, Maurizio; Pellinghelli, Maria Angela; Mucchino, Claudio; Mori, Giovanni; Marchio, Luciano","Thioamido coordination in a thioxo-1,2,4-triazole copper(II) complex enhances nonapoptotic programmed cell death associated with copper accumulation and oxidative stress in human cancer cells.","Journal of medicinal chemistry","2007","50","8","1916","1924","10.1021/jm061174f","","","1.5418","CuKα","","0.0915","0.0375","","","0.0523","0.0605","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505100","7.1709","0.0008","8.5496","0.0009","16.7981","0.0018","90","","92.416","0.011","90","","1028.95","0.19","423","","423","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C32 H16 -","- C32 H16 -","- C64 H32 -","2","0.5","","Heinrich, M.A.; Pflaum, J.; Tripathi, A.K.; Frey, W.; Steigerwald, M.L.; Siegrist, T.","Enantiotropic Polymorphism in Di-indenoperylene","Journal of Physical Chemistry C","2007","111","51","18878","","10.1021/jp0748967","","","0.71073","MoKα","","0.2571","0.0327","","0.1088","0.0598","0.1088","","","","","","1.199","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505243","13.042","0.004","6.878","0.002","14.555","0.005","90","0.0011","106.698","0.0014","90","0.0011","1250.6","0.7","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H22 O4 S2 Si2 -","- C26 H22 O4 S2 Si2 -","- C52 H44 O8 S4 Si4 -","2","0.5","","Mouri, Kazuhiro; Wakamiya, Atsushi; Yamada, Hiroshi; Kajiwara, Takashi; Yamaguchi, Shigehiro","Ladder distyrylbenzenes with silicon and chalcogen bridges: synthesis, structures, and properties.","Organic letters","2007","9","1","93","96","10.1021/ol062615s","","","0.7107","MoKα","","0.07","0.0523","","","0.1107","0.1198","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505323","12.7723","0.0005","7.1792","0.0002","14.2615","0.0007","90","","105.767","0.0018","90","","1258.5","0.09","200","1","200","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Rostami, Ali; Wang, Yong; Arif, Atta M.; McDonald, Robert; West, F. G.","Intramolecular azide trapping of the Nazarov intermediate: formation of peroxy-bridged indolizidinones via a deep-seated rearrangement and aerobic oxidation.","Organic letters","2007","9","4","703","706","10.1021/ol070053m","","","0.71073","MoKα","","0.0506","0.039","","","0.093","0.0994","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505392","13.031","0.003","9.94","0.002","13.631","0.003","90","","113.908","0.013","90","","1614.1","0.6","123.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C76 H72 O12 S4 -","4","1","","Shindo, Mitsuru; Yoshimura, Yutaka; Hayashi, Maiko; Soejima, Hiroe; Yoshikawa, Takashi; Matsumoto, Kenji; Shishido, Kozo","Synthesis of multisubstituted furans, pyrroles, and thiophenes via ynolates.","Organic letters","2007","9","10","1963","1966","10.1021/ol0705200","","","1.54187","CuKα","","","0.0397","","","","0.1064","","","","","","1.08","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505418","23.045","0.0008","6.8145","0.0005","23.8953","0.0008","90","","97.8218","0.0013","90","","3717.6","0.3","120","","120","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C90 H122 O2 -","- C90 H122 O2 -","- C180 H244 O4 -","2","0.5","","Dou, Xi; Yang, Xiaoyin; Bodwell, Graham J.; Wagner, Manfred; Enkelmann, Volker; Müllen, Klaus","Unexpected phenyl group rearrangement during an intramolecular Scholl reaction leading to an alkoxy-substituted hexa-peri-hexabenzocoronene.","Organic letters","2007","9","13","2485","2488","10.1021/ol0708018","","","0.71073","MoKα","","0.0486","0.0504","","0.047","0.047","0.047","","","","","","0.9049","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505553","14.646","0.002","8.669","0.001","10.955","0.001","90","","103.934","0.009","90","","1350","0.3","298.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H10 Se2 -","- C18 H10 Se2 -","- C72 H40 Se8 -","4","1","","Ebata, Hideaki; Miyazaki, Eigo; Yamamoto, Tatsuya; Takimiya, Kazuo","Synthesis, properties, and structures of benzo[1,2-b:4,5-b']bis[b]benzothiophene and benzo[1,2-b:4,5-b']bis[b]benzoselenophene.","Organic letters","2007","9","22","4499","4502","10.1021/ol701815j","","","0.7107","MoKα","","","0.0314","","","","0.1197","","","","","","0.79","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505600","12.499","0.0002","7.7906","0.0001","13.1409","0.0002","90","","95.0722","0.0011","90","","1274.58","0.03","200","","200","","","","","","","","local","3","P 1 21/a 1","-P 2yab","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Bissember, Alex C.; Phillis, Andrew T.; Banwell, Martin G.; Willis, Anthony C.","Base-promoted reactions of dichlorocarbene adducts of cyclic enamines: a new route to annulated pyrroles.","Organic letters","2007","9","26","5421","5424","10.1021/ol7021774","","","0.71073","MoKα","","0.0562","0.0341","","0.054","0.0417","0.0417","","","","","","1.1294","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505602","9.7467","0.0005","16.6619","0.0009","12.1852","0.0007","90","","100.679","0.003","90","","1944.59","0.18","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C108 H84 N4 O8 -","4","1","","Bissember, Alex C.; Phillis, Andrew T.; Banwell, Martin G.; Willis, Anthony C.","Base-promoted reactions of dichlorocarbene adducts of cyclic enamines: a new route to annulated pyrroles.","Organic letters","2007","9","26","5421","5424","10.1021/ol7021774","","","0.71073","MoKα","","0.0851","0.0623","","0.0549","0.0518","0.0518","","","","","","1.1188","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505647","15.0927","0.0008","31.3789","0.0016","15.938","0.0009","90","","108.825","0.002","90","","7144.4","0.7","100","","100","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H18 N2 O2 Si -","- C13 H18 N2 O2 Si -","- C260 H360 N40 O40 Si20 -","20","5","","Pinkerton, David M.; Banwell, Martin G.; Willis, Anthony C.","Total syntheses of tambjamines C, E, F, G, H, I and J, BE-18591, and a related alkaloid from the marine bacterium Pseudoalteromonas tunicata.","Organic letters","2007","9","24","5127","5130","10.1021/ol7024313","","","0.71073","MoKα","","0.0633","0.0456","","0.0563","0.0441","0.0441","","","","","","1.1516","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505817","19.286","0.002","8.198","0.002","12.114","0.002","90","","98.967","0.01","90","","1891.9","0.6","298.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H24 N2 O5 S -","- C18 H24 N2 O5 S -","- C72 H96 N8 O20 S4 -","4","1","","Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi","Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A.","Organic letters","2006","8","1","27","30","10.1021/ol052387m","","","1.5418","CuKα","","","0.0484","","","","0.0609","","","","","","1.706","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505911","21.326","0.005","21.2","0.005","23.53","0.005","90","0.005","111.92","0.005","90","0.005","9869","4","153","2","153","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C151 H80 O10 -","- C151 H80 O10 -","- C604 H320 O40 -","4","1","","Zhong, Yu-Wu; Matsuo, Yutaka; Nakamura, Eiichi","Convergent synthesis of a polyfunctionalized fullerene by regioselective five-fold addition of a functionalized organocopper reagent to C60.","Organic letters","2006","8","7","1463","1466","10.1021/ol060282t","","x-ray","0.71069","MoKα","","0.1976","0.1211","","","0.291","0.3447","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506030","8.314","0.002","20.024","0.001","10.969","0.001","90","","102.5","0.01","90","","1782.8","0.5","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","1","","Ichikawa, Junji; Kaneko, Mikio; Yokota, Misaki; Itonaga, Masaaki; Yokoyama, Takaharu","Friedel-Crafts-type cyclization of 2,2-difluorovinyl ketones via alpha-fluorocarbocations and its application in domino cyclizations.","Organic letters","2006","8","15","3167","3170","10.1021/ol060912r","","","1.5418","CuKα","","0.0667","0.0441","","","0.1163","0.1274","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506031","7.996","0.005","17.12","0.009","12.331","0.007","90","","105.079","0.002","90","","1629.9","1.6","120","2","120","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H22 O -","- C22 H22 O -","- C88 H88 O4 -","4","1","","Ichikawa, Junji; Kaneko, Mikio; Yokota, Misaki; Itonaga, Masaaki; Yokoyama, Takaharu","Friedel-Crafts-type cyclization of 2,2-difluorovinyl ketones via alpha-fluorocarbocations and its application in domino cyclizations.","Organic letters","2006","8","15","3167","3170","10.1021/ol060912r","","","0.7107","MoKα","","0.0627","0.0599","","","0.1584","0.1598","","","","","","1.135","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506039","9.238","0.002","13.245","0.002","13.418","0.002","90","","93.79","0.01","90","","1638.2","0.5","296.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.053","","","","0.1336","","","","","","1.198","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506220","7.3419","0.0007","24.75","0.002","7.8224","0.0007","90","","107","0.002","90","","1359.3","0.2","100","2","293","2","","","","","","","synthetic","3","P 1 21/a 1","-P 2yab","14","","pyran-2-one annulated tetrahelicene RI-2","","- C21 H12 O2 -","- C21 H12 O2 -","- C84 H48 O8 -","4","1","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy; Sengupta, Sanchita; Baidya, Mahiuddin","Facile synthesis, fluorescence, and photochromism of novel helical pyrones and chromenes.","Organic letters","2006","8","21","4891","4894","10.1021/ol0619260","","","0.71073","MoKα","","0.0815","0.057","","","0.1235","0.1634","","","","","","1.151","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506227","9.736","0.005","15.884","0.005","11.886","0.005","90","0.005","97.432","0.005","90","0.005","1822.7","1.3","291","2","291","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 N2 O2 S -","- C20 N2 O2 S -","- C80 N8 O8 S4 -","4","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.186","0.0935","","","0.1672","0.2252","","","","","","0.989","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506233","6.193","0.005","17.433","0.005","14.493","0.005","90","0.005","99.693","0.005","90","0.005","1542.4","1.4","291","2","291","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.1797","0.0961","","","0.2076","0.1727","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506281","15.461","0.001","5.7223","0.0003","17.076","0.001","90","","96.684","0.002","90","","1500.49","0.15","193.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H6 F6 S3 -","- C15.83 H6 F6 S2.69 -","- C63.32 H24 F24 S10.76 -","4","1","","Ie, Yutaka; Umemoto, Yoshikazu; Kaneda, Takahiro; Aso, Yoshio","Electronegative oligothiophenes based on a hexafluorocyclopentene-annelated thiophene unit.","Organic letters","2006","8","23","5381","5384","10.1021/ol062238j","","","0.7107","MoKα","","","0.047","","","","0.117","","","","","","1.031","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506393","7.565","0.012","26.64","0.04","12","0.03","90","","102.64","0.06","90","","2360","8","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H11 I N5 Ni S4 -","- C20 H11 I N5 Ni S4 -","- C80 H44 I4 N20 Ni4 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K.","Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2].","The journal of physical chemistry. B","2005","109","35","16610","16615","10.1021/jp051995g","","","0.71073","MoKα","","0.0631","0.0469","","","0.1142","0.1203","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506415","9.2709","0.0009","32.431","0.003","11.698","0.002","90","","110.714","0.007","90","","3289.8","0.7","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C36 H51 N7 -","- C36 H51 N7 -","- C144 H204 N28 -","4","1","","Moore, Evan G.; Bernhardt, Paul V.; Fürstenberg, Alexandre; Riley, Mark J.; Vauthey, Eric","Intra- vs intermolecular photoinduced electron transfer reactions of a macrocyclic donor-acceptor dyad.","The journal of physical chemistry. A","2005","109","51","11715","11723","10.1021/jp0547414","","x-ray","0.71073","MoKα","","0.4912","0.0618","","","0.0872","0.1884","","","","","","0.891","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506475","16.92","0.001","6.444","0.001","11.27","0.001","90","","92.45","0.01","90","","1227.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H12 Br2 O2 -","- C13 H12 Br2 O2 -","- C52 H48 Br8 O8 -","4","1","","Pelphrey, Phillip; Jasinski, Jerry; Butcher, Ray J.; Wright, Dennis L.","Oxabicyclo[3.2.1]octane derivatives as highly reactive dienophiles: synthesis of bicyclo[5.n.0] systems.","Organic letters","2005","7","3","423","425","10.1021/ol047725i","","","0.71073","MoKα","","0.062","0.0596","","","0.1672","0.17","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506605","14.1517","0.0004","11.8995","0.0003","24.3178","0.0005","90","","92.786","0.001","90","","4090.23","0.18","140","1","140","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C57 H38 N4 Zn -","- C57.1 H30.25 N4 Zn -","- C228.4 H121 N16 Zn4 -","4","1","","Cammidge, Andrew N.; Scaife, Peter J.; Berber, Gûlen; Hughes, David L.","Cofacial porphyrin-ferrocene dyads and a new class of conjugated porphyrin.","Organic letters","2005","7","16","3413","3416","10.1021/ol050962g","","x-ray","0.71073","MoKα","","0.0574","0.0418","","","0.1052","0.1157","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506676","13.38","0.05","6.27","0.09","13.7","0","90","","107.3","0.5","90","","1097","17","100","","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","4,4,7-trimethyl-6-oxaspiro[4.5]dec-2-en-1-one","","- C13 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","1","","Prandi, Cristina; Deagostino, Annamaria; Venturello, Paolo; Occhiato, Ernesto G.","Stereoselective synthesis of spirocyclic ketones by Nazarov reaction.","Organic letters","2005","7","20","4345","4348","10.1021/ol051464a","","x-ray","0.71073","MoKα","","0.0965","0.0638","","","0.1319","0.1517","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506769","12.632","0.008","7.864","0.004","14.964","0.01","90","","101.258","0.007","90","","1457.9","1.5","173","2","173","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H8 Se4 -","- C16 H8 Se4 -","- C64 H32 Se16 -","4","1","","Okamoto, Toshihiro; Kudoh, Kenichi; Wakamiya, Atsushi; Yamaguchi, Shigehiro","General synthesis of thiophene and selenophene-based heteroacenes.","Organic letters","2005","7","23","5301","5304","10.1021/ol0523650","","","0.7107","MoKα","","0.0521","0.051","","","0.1309","0.132","","","","","","1.085","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506839","18.849","0.004","5.5418","0.0007","22.618","0.003","90","","96.956","0.013","90","","2345.2","0.7","221","","221","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 F9 N O S -","- C22 H24 F9 N O S -","- C88 H96 F36 N4 O4 S4 -","4","1","","Smith, Jeremy A.; DiStasio, Robert A.; Hannah, Nicole A.; Winter, Rolf W.; Weakley, Timothy J. R.; Gard, Gary L.; Rananavare, Shankar B.","SF5-Terminated Fluorinated Schiff Base Liquid Crystals","The Journal of Physical Chemistry B","2004","108","52","19940","","10.1021/jp047732o","","","0.71073","MoKα","","0.083","0.054","","0.111","","0.053","","","1.42","","","1.64","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506854","12.947","0.002","7.04","0.001","9.542","0.002","90","","94.4","0.01","90","","867.2","0.3","298","1","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 N2 -","- C22 H24 N2 -","- C44 H48 N4 -","2","0.5","","Nishiumi, Toyohiko; Chimoto, Yuya; Hagiwara, Yuki; Higuchi, Masayoshi; Yamamoto, Kimihisa","First Redox Polymer Bearing One-Step Successive Two-Electron-Transfer Process Based on Redox Potential Inversion","Macromolecules","2004","37","7","2661","","10.1021/ma035370x","","","0.71073","MoKα","","","0.043","","","","0.126","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506934","16.09","0.007","10.544","0.004","17.881","0.007","90","0.0015","104.605","0.0017","90","0.0015","2936","2","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H26 Cl2 O8 -","- C36 H26 Cl2 O8 -","- C144 H104 Cl8 O32 -","4","1","","Saitoh, Terunobu; Yoshida, Suguru; Ichikawa, Junji","1,8-bis(diphenylmethylium)naphthalenediyl dication as an organic oxidant: synthesis of benzidines via self-coupling of N,N-dialkylanilines.","Organic letters","2004","6","24","4563","4565","10.1021/ol048058w","","","0.7107","MoKα","","0.0593","0.0527","","","0.142","0.1467","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506966","11.847","0.008","8.94","0.007","19.015","0.006","90","","93.27","0.04","90","","2011","2","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 Br Cl O4 -","- C20 H20 Br Cl O4 -","- C80 H80 Br4 Cl4 O16 -","4","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Shibata, Ikuya; Baba, Akio","In- or in(I)-employed diastereoselective Reformatsky-type reactions with ketones: 1H NMR investigations on the active species.","Organic letters","2004","6","24","4475","4478","10.1021/ol0482846","","","0.7107","MoKα","","","0.0589","","","","0.1297","","","","","","1.661","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507234","21.2475","0.0015","8.9428","0.0004","25.4798","0.0018","90","","111.589","0.003","90","","4501.8","0.5","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C45 H64 I2 N2 Ni O5 -","- C45 H63.068 I2 N2 Ni O5 -","- C180 H252.272 I8 N8 Ni4 O20 -","4","1","","Leung, Alfred C. W.; Chong, Jonathan H.; Patrick, Brian O.; MacLachlan, Mark J.","Poly(salphenyleneethynylene)s: A New Class of Soluble, Conjugated, Metal-Containing Polymers","Macromolecules","2003","36","14","5051","","10.1021/ma034229l","","","0.71069","MoKα","","0.0753","0.0377","","","0.0725","0.0807","","","","","","0.876","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507235","12.679","0.009","10.317","0.006","14.49","0.01","90","","110.65","0.04","90","","1774","2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H21 Cl3 N2 Ti -","- C14 H21 Cl3 N2 Ti -","- C56 H84 Cl12 N8 Ti4 -","4","1","","Liguori, Dario; Centore, Roberto; Tuzi, Angela; Grisi, Fabia; Sessa, Irene; Zambelli, Adolfo","Titanium Monoamidinate−MAO Catalysts: Some Information about Active Species and Stereochemical Polymerization Mechanisms","Macromolecules","2003","36","15","5451","","10.1021/ma034249n","","x-ray","0.71069","Mokα","","0.0775","0.0391","","","0.084","0.0965","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507244","16.25","0.004","15.629","0.008","14.067","0.005","90","0.03","109.01","0.03","90","0.03","3378","2","294","2","294","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","[(rac 2,2'-bis[2-(1-ethyl benzimidazol-2-yl)]biphenyl)copper(II) dichloride] 1,2-dichlorobenzene","","- C36 H30 Cl4 Cu N4 -","- C36 H30 Cl4 Cu N4 -","- C144 H120 Cl16 Cu4 N16 -","4","1","","Stibrany, Robert T.; Schulz, Donald N.; Kacker, Smita; Patil, Abhimanyu O.; Baugh, Lisa S.; Rucker, Steven P.; Zushma, Stephen; Berluche, Enock; Sissano, Joseph A.","Polymerization and Copolymerization of Olefins and Acrylates by Bis(benzimidazole) Copper Catalysts","Macromolecules","2003","36","23","8584","","10.1021/ma034548c","","","0.71073","MoKα","","0.1588","0.0571","","","0.1146","0.1279","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507349","7.77","0.0002","20.7979","0.0007","8.2851","0.0002","90","","96.5442","0.0019","90","","1330.15","0.07","200","1","200","1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","","Wang, Yong; Schill, Brenden D.; Arif, Atta M.; West, F. G.","Formal intermolecular 4 + 4 approach to cyclooctanoids: 4 + 3 capture of the Nazarov oxyallyl intermediate with simple 1,3-dienes.","Organic letters","2003","5","15","2747","2750","10.1021/ol034985b","","","0.71073","MoKα","","0.0555","0.0438","","","0.1102","0.1182","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507436","10.83","0.05","10.22","0.02","15.06","0.06","90","","90.32","0.015","90","","1667","11","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","1","","Clayden, Jonathan; Kenworthy, Martin N.","Dearomatizing Annelation of Five-Membered Rings to Naphthalenes by Organolithium Cyclization","Organic Letters","2002","4","5","787","","10.1021/ol0172626","","","0.71069","MoKα","","0.0677","0.0434","","","0.1143","0.1272","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507498","18.581","0.0008","7.4811","0.0005","22.069","0.001","90","","96.821","0.001","90","","3046","0.3","205","","205","","","","","","","","Local laboratory","4","P 1 21/a 1","-P 2yab","14","","","","- C34 H28 I2 O3 -","- C35 H28 I2 O2 -","- C140 H112 I8 O8 -","4","1","","Höger, Sigurd; Rosselli, Silvia; Ramminger, Anne-Désirée; Enkelmann, Volker","A facile synthesis of large extraannular-functionalized phenyl-ethynyl macrocycles containing m-terphenyl units.","Organic letters","2002","4","24","4269","4272","10.1021/ol026870y","","","0.71073","MoKα","","","0.0566","","","","0.0523","","","","","","0.8488","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507545","14.1","0.006","11.223","0.005","11.773","0.005","90","","93.343","0.008","90","","1859.8","1.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H22 N2 O6 S -","- C16 H22 N2 O6 S -","- C64 H88 N8 O24 S4 -","4","1","","Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius","Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides","Organic Letters","2001","3","26","4247","","10.1021/ol0169731","","","0.71073","MoKα","","0.0636","0.0594","","","0.1696","0.1761","","","","","","1.06","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507600","8.7602","0.0013","19.148","0.003","10.7909","0.0016","90","","110.824","0.011","90","","1691.8","0.5","150","1","150","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H23 N O3 S -","- C17 H23 N O3 S -","- C68 H92 N4 O12 S4 -","4","1","","Kumar, Puneet; Louie, Janis","A Single Step Approach to Piperidines via Ni-Catalyzed β-Carbon Elimination.","Organic letters","2012","14","8","2026","2029","10.1021/ol300534j","","","0.71073","MoKα","","0.1173","0.0629","","","0.1321","0.1638","","","","","","1.116","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507636","6.055","0.006","7.542","0.008","21.6","0.02","90","","95.65","0.02","90","","981.6","1.7","103","","103","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H18 S2 -","- C28 H18 S2 -","- C56 H36 S4 -","2","0.5","","Yamaguchi, Yuji; Maruya, Yukihiro; Katagiri, Hiroshi; Nakayama, Ken-Ichi; Ohba, Yoshihiro","Synthesis, Properties, and OFET Characteristics of 5,5'-Di(2-azulenyl)-2,2'-bithiophene (DAzBT) and 2,5-Di(2-azulenyl)-thieno[3,2-b]thiophene (DAzTT).","Organic letters","2012","14","9","2316","2319","10.1021/ol3007327","","","0.71075","MoKα","","0.1223","0.0849","","","0.2043","0.2321","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507707","7.427","0.005","14.544","0.01","12.017","0.008","90","","97.754","0.008","90","","1286.2","1.5","100.15","","100.15","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","N,N'-dimethyl-bis(dithienopyrrolo)thiophene","","","- C14 H10 N2 S3 -","- C14 H10 N2 S3 -","- C56 H40 N8 S12 -","4","1","","Mitsudo, Koichi; Shimohara, Shuichi; Mizoguchi, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis of nitrogen-bridged terthiophenes by tandem buchwald-hartwig coupling and their properties.","Organic letters","2012","14","11","2702","2705","10.1021/ol300887t","","","0.71075","MoKα","","0.1605","0.1301","","","0.3011","0.3179","","","","","","1.088","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507950","14.09","0.003","18.71","0.004","15.558","0.004","90","","101.48","0.03","90","","4019.4","1.6","240","2","240","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","Gandelman-93 (Yuri)","","","- C36 H32 Cl4 F6 N3 O P3 Rh -","- C36 H32 Cl4 F6 N3 O P3 Rh -","- C144 H128 Cl16 F24 N12 O4 P12 Rh4 -","4","1","","Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark","Nitrenium ions as ligands for transition metals.","Nature chemistry","2011","3","7","525","531","10.1038/nchem.1068","","","0.71073","MoKα","","0.0824","0.0467","","","0.1227","0.1355","","","","","","0.945","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508541","10.0062","0.001","11.1917","0.0009","16.797","0.0015","90","","102.784","0.004","90","","1834.4","0.3","130","2","130","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","HOArCH2pyCH3","HOArCH2pyCH3","","- C21 H29 N O -","- C21 H29 N O -","- C84 H116 N4 O4 -","4","1","","Markle, Todd F.; Tronic, Tristan A.; Dipasquale, Antonio G.; Kaminsky, Werner; Mayer, James M.","Effect of basic site substituents on concerted proton-electron transfer in hydrogen-bonded pyridyl-phenols.","The journal of physical chemistry. A","2012","116","50","12249","12259","10.1021/jp311388n","","","0.71073","MoKα","","0.1114","0.0624","","","0.1416","0.1693","","","","","","1.02","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508944","11.3553","0.0006","7.1744","0.0005","11.5613","0.0008","90","","119.414","0.003","90","","820.46","0.09","120","","120","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C44 H36 O8 -","2","0.5","","Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus","Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10.","Organic letters","2013","15","4","804","807","10.1021/ol303476g","","","0.71073","MoKα","","0.0721","0.0507","","0.0604","0.0593","0.0593","","","","","","1.0725","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508965","16.0215","0.0015","5.7478","0.0003","19.227","0.006","90","","96.725","0.017","90","","1758.4","0.6","112","19","112","19","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H19 Br N2 O3 S -","- C17 H19 Br N2 O3 S -","- C68 H76 Br4 N8 O12 S4 -","4","1","","Gu, Peiming; Sun, Jian; Kang, Xiao-Yan; Yi, Ming; Li, Xue-Qiang; Xue, Ping; Li, Rui","A Formal Metal-Free N-Arylation via the Schmidt Reaction of Aromatic Aldehydes with an Azido Amine.","Organic letters","2013","15","5","1124","1127","10.1021/ol400213f","","","0.7107","MoKα","","0.0437","0.0352","","","0.0778","0.0828","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509135","13.2994","0.0018","10.3952","0.0016","14.194","0.002","90","","105.149","0.017","90","","1894.13","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C28 H38 -","- C28 H38 -","- C112 H152 -","4","1","","Schreiner, Peter R.; Chernish, Lesya V.; Gunchenko, Pavel A.; Tikhonchuk, Evgeniya Yu.; Hausmann, Heike; Serafin, Michael; Schlecht, Sabine; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Fokin, Andrey A.","Overcoming lability of extremely long alkane carbon-carbon bonds through dispersion forces.","Nature","2011","477","7364","308","311","10.1038/nature10367","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509419","13.953","","4.955","","8.22","","90","","97.76","","90","","563.103","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K Ag (N O3)2","","- Ag K N2 O6 -","- Ag K N2 O6 -","- Ag4 K4 N8 O24 -","4","1","","Zobetz, E.","Die Kristallstruktur der isotypen Verbindungen K Ag (N O3)2, (N H4) Ag (N O3)2 und Rb Ag (N O3)2","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1980","111","","1253","1263","10.1007/BF00903652","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509423","7.49","","13.175","","6.037","","90","","94.32","","90","","594.043","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ag K (P O3)2","","- Ag K O6 P2 -","- Ag K O6 P2 -","- Ag4 K4 O24 P8 -","4","1","","Averbuch-Pouchot, M.T.","Structural investigation of a new series of long-chain polyphosphates. Crystal structure of Ag K (P O3)2 and crystal data for Ag M (P O3)2 with M= K, Rb, Cs and Tl","Journal of Solid State Chemistry","1993","102","","93","99","10.1006/jssc.1993.1010","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509472","14.195","","5.039","","8.304","","90","","96.99","","90","","589.559","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Rb Ag (N O3)2","","- Ag N2 O6 Rb -","- Ag N2 O6 Rb -","- Ag4 N8 O24 Rb4 -","4","1","","Zobetz, E.","Die Kristallstruktur der isotypen Verbindungen K Ag (N O3)2, (N H4) Ag (N O3)2 und Rb Ag (N O3)2","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1980","111","","1253","1263","10.1007/BF00903652","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509697","7.004","","10.547","","4.917","","90","","91.44","","90","","363.11","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Ag2 (Te O3)","","- Ag2 O3 Te -","- Ag2 O3 Te -","- Ag8 O12 Te4 -","4","1","","Masse, R.; Trodjman, I.; Guitel, J.C.","Preparation chimique et structure cristalline des tellurites de sodium et d'argent: Na2 Te O3, Ag2 Te O3","Materials Research Bulletin","1980","15","","431","436","10.1016/0025-5408(80)90048-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509744","23.857","","5.2999","","6.5659","","90","","93.95","","90","","828.218","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ag2.76 (Mo O3)12 (P O2)4","","- Ag2.76 Mo12 O44 P4 -","- Ag2.76 Mo12 O44 P4 -","- Ag2.76 Mo12 O44 P4 -","1","0.25","","Ledain, S.; Leclaire, A.; Provost, J.; Borel, M.M.; Raveau, B.","A monophosphate molybdenum bronze built up from Re O3-type slabs: Ag(0.7) Mo3 O7 (P O4)","Journal of Solid State Chemistry","1998","140","","128","133","10.1006/jssc.1998.7874","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510187","15.117","","4.339","","7.1","","90","","121.5","","90","","397.081","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Li (Au I4)","","- Au I4 Li -","- Au I4 Li -","- Au2 I8 Li2 -","2","0.5","","Abram, U.; Straehle, J.; Schulz Lang, E.","Synthese, Eigenschaften und Struktur von Li Au I4 und K Au I4 mit einer Diskussion der kristallchemischen Verwandtschaft zwischen den Halogenauraten Rb Au Cl4, Ag Au Cl4, Rb Au Br4 und LiAuI4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","1791","1795","10.1002/zaac.19976231122","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510399","9.7","","9.222","","10.81","","90","","94.43","","90","","964.102","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Au2 (S O3 F)6","","- Au2 F6 O18 S6 -","- Au2 F6 O18 S6 -","- Au4 F12 O36 S12 -","2","0.5","","Aubke, F.; Willner, H.; Rettig, S.J.; Trotter, J.","The crystal and molecular structure of gold tris(fluorosulfate)","Canadian Journal of Chemistry","1991","69","","391","396","10.1139/v91-060","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510799","11.85","","5.35","","7.71","","90","","92.6","","90","","488.292","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Sr2 (B2 O5)","","- B2 O5 Sr2 -","- B2 O5 Sr2 -","- B8 O20 Sr8 -","4","1","","Bartl, H.; Schuckmann, W.","Zur Struktur des Strontium-Pyroborates Sr2 B2 O5","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1966","1966","","253","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511173","10.048","","7.61","","4.964","","90","","91.98","","90","","379.347","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Nd (B Ge O5)","","- B Ge Nd O5 -","- B Ge Nd O5 -","- B4 Ge4 Nd4 O20 -","4","1","","Kaminskii, A.A.; Mill', B.V.; Belokoneva, E.L.; Butashin, A.V.","Polymorphism of Ln B Ge O5 compounds","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1700","1707","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511886","12.1557","0.0005","11.7061","0.0003","12.5509","0.0004","90","","111.094","0.0015","90","","1666.27","0.1","103","2","103","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","11a,12-Dihydro-5b-methyl-5a,12a-epoxy-11H-dibenzo[b,h]fluorene-5,6,11,13(5bH)-tetrone","11a,12-Dihydro-5b-methyl-5a,12a-epoxy-11H-dibenzo[b,h]fluorene-5,6,11,13(5bH)-tetrone","","- C22 H14 O5 -","- C22 H14 O5 -","- C88 H56 O20 -","4","1","","Maruo, Sayako; Nishio, Kazuyuki; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori","Biomimetic Synthesis of Zeylanone and Zeylanone Epoxide by Dimerization of 2-Methyl-1,4-naphthoquinone","Organic Letters","2013","15","7","1556","","10.1021/ol400335s","","","0.7107","MoKα","","0.0458","0.032","","","0.0792","0.0842","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512041","8.2495","0.0001","22.3491","0.0003","13.1812","0.0002","90","","100.218","0.0007","90","","2391.66","0.06","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H7 I N2 O -","- C6 H7 I N2 O -","- C72 H84 I12 N24 O12 -","12","3","","Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C.","Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems.","Organic letters","2013","15","11","2616","2619","10.1021/ol4007986","","","0.71073","MoKα","","0.0319","0.0252","","0.0619","0.0601","0.0619","","","","","","0.9769","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512212","14.603","0.0007","19.3678","0.0005","7.3303","0.0004","90","","127.998","0.008","90","","1633.8","0.2","110","0.1","110","0.1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Schröder, Sybrin P; Taylor, Nicholas J.; Jackson, Paula; Franckevičius, Vilius","Catalytic decarboxylative alkenylation of enolates.","Organic letters","2013","15","14","3778","3781","10.1021/ol401729m","","","0.7107","MoKα","","0.0518","0.0425","","","0.0967","0.1026","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512416","10.1967","0.0007","11.9793","0.0009","16.1904","0.0011","90","","90.853","0.003","90","","1977.4","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H24 Fe O4 -","- C24 H24 Fe O4 -","- C96 H96 Fe4 O16 -","4","1","","Salvador Celedona; Mauricio Fuentealbab; Thierry Roisnelc; Jean-Rene Hamonc; David Carrilloa; Carolina Manzura","Stepwise construction of a 4-hydroxyphenyl functionalized O,N,N-tridentate ferrocene-containing enaminone: Spectral, analytical and structural studies","Inorganica Chimica Acta","2012","390","","184","189","10.1016/j.ica.2012.04.028","","x-ray","0.71073","MoKα","","0.0952","0.0771","","","0.2294","0.2425","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512608","12.107","0.005","7.056","0.003","26.797","0.012","90","","94.771","0.004","90","","2281.3","1.7","153","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H30 N2 O4 Pt -","- C24 H21 N2 O4 Pt -","- C96 H84 N8 O16 Pt4 -","4","1","","Yuriko Abe; Yuko Takagi; Miyuki Nakamura; Tomoaki Tanase; Miho Yokokawa; Hidetomo Mukai; Kazuchika Ohta","Structural, Photophysical, and Mesomorphic Properties of Luminescent Platinum(II)-Salen Schiff Base Complexes","Inorganica Chimica Acta","2012","392","","254","260","10.1016/j.ica.2012.02.041","","","0.7107","MoKα","","","0.0731","","","","0.2286","","","","","","1.11","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512711","14.5527","0.0018","14.5492","0.0016","15.2941","0.0019","90","","118.38","0.0012","90","","2849","0.6","113.1","","113.1","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C27 H31 F6 N4 O3 P Ru -","- C27 H30 F6 N4 O3 P Ru -","- C108 H120 F24 N16 O12 P4 Ru4 -","4","1","","Luc J. Boudreau; Terri L. Clarke; Adrian H. Murray; Katherine N. Robertson; T. Stanley Cameron; Manuel A.S. Aquino","Sterically-directed disassembly of diruthenium(II,III) tetraacetate using substituted and unsubstituted 2,2'-bipyridines and 1,10-phenanthrolines","Inorganica Chimica Acta","2012","393","","152","158","","","","0.7107","MoKα","","","0.0605","","","","0.0666","","","","","","1.023","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512868","8.795","0.0001","20.8201","0.0004","10.9669","0.0002","90","","99.156","0.001","90","","1982.59","0.06","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C42 H56 N2 O8 U -","- C42 H56 N2 O8 U -","- C84 H112 N4 O16 U2 -","2","0.5","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.0654","0.0312","","","0.0602","0.0675","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513161","11.62","0.008","8.989","0.008","15.81","0.008","90","","96.74","0.01","90","","1640","2","292","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H25 N3 O2 -","- C17 H25 N3 O2 -","- C68 H100 N12 O8 -","4","1","","Mercalli, Valentina; Meneghetti, Fiorella; Tron, Gian Cesare","Isocyanide-Mediated Multicomponent Synthesis of C-Oximinoamidines","Organic Letters","2013","15","22","5902","","10.1021/ol403062m","","","0.71073","MoKα","","0.1171","0.078","","","0.1916","0.2178","","","","","","0.988","","","","has coordinates,has disorder","201210","2020-10-21","18:00:00",""
"1513264","8.6007","0.0014","7.8074","0.0011","21.612","0.004","90","","100.929","0.008","90","","1424.9","0.4","150","2","150","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Olive, Alexandre G. L.; Raffy, Guillaume; Allouchi, Hassan; Léger, Jean-Michel; Del Guerzo, André; Desvergne, Jean-Pierre","Striking Correlation between the Unusual Trigonal Crystal Packing and the Ability to Self-Assemble into Nanofibers of 2,3-Di-n-alkyloxyanthracenes†","Langmuir","2009","25","15","8606","8614","10.1021/la804206n","","","0.71073","MoKα","","0.205","0.0826","","","0.1572","0.2055","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513266","8.5062","0.0003","7.964","0.0003","24.0314","0.001","90","","91.547","0.002","90","","1627.37","0.11","160","2","160","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Olive, Alexandre G. L.; Raffy, Guillaume; Allouchi, Hassan; Léger, Jean-Michel; Del Guerzo, André; Desvergne, Jean-Pierre","Striking Correlation between the Unusual Trigonal Crystal Packing and the Ability to Self-Assemble into Nanofibers of 2,3-Di-n-alkyloxyanthracenes†","Langmuir","2009","25","15","8606","8614","10.1021/la804206n","","","0.71073","MoKα","","0.0854","0.0445","","","0.0952","0.1104","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514183","10.1307","0.0009","9.1486","0.001","10.6002","0.0011","90","","106.526","0.009","90","","941.86","0.17","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 Al K O5 Si2 -","- C6 Al K0.99 O5 Si2 -","- C24 Al4 K3.96 O20 Si8 -","4","1","","Bellettato, Michela; Bonoldi, Lucia; Cruciani, Giuseppe; Flego, Cristina; Guidetti, Stefania; Millini, Roberto; Montanari, Erica; Parker, Wallace O’Neil; Zanardi, Stefano","Flexible Structure of a Thermally Stable Hybrid Aluminosilicate Built with Only the Three-Ring Unit","The Journal of Physical Chemistry C","2014","118","14","7458","","10.1021/jp5005133","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514184","10.831","0.0003","10.4782","0.0004","10.6059","0.0004","90","","109.924","0.002","90","","1131.61","0.07","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 Al K0.883 O7.255 Si2 -","- C6 Al K0.89 O7.26 Si2 -","- C24 Al4 K3.56 O29.04 Si8 -","4","1","","Bellettato, Michela; Bonoldi, Lucia; Cruciani, Giuseppe; Flego, Cristina; Guidetti, Stefania; Millini, Roberto; Montanari, Erica; Parker, Wallace O’Neil; Zanardi, Stefano","Flexible Structure of a Thermally Stable Hybrid Aluminosilicate Built with Only the Three-Ring Unit","The Journal of Physical Chemistry C","2014","118","14","7458","","10.1021/jp5005133","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514185","14.493","0.002","6.0834","0.001","15.009","0.003","90","","107.679","0.004","90","","1260.8","0.4","103","2","103","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C15 H12 B F2 N O -","- C15 H12 B F2 N O -","- C60 H48 B4 F8 N4 O4 -","4","1","","Yoshii, Ryousuke; Tanaka, Kazuo; Chujo, Yoshiki","Conjugated Polymers Based on Tautomeric Units: Regulation of Main-Chain Conjugation and Expression of Aggregation Induced Emission Property via Boron-Complexation","Macromolecules","2014","47","7","2268","","10.1021/ma500082e","","","0.71075","MoKα","","0.0598","0.0449","","","0.1316","0.1817","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514283","8.5103","0.0008","30.003","0.002","9.119","0.0008","90","","112.41","0.01","90","","2152.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C32 H21 N O -","- C32 H21 N O -","- C128 H84 N4 O4 -","4","1","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.1255","0.0423","","","0.0599","0.0715","","","","","","0.714","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514732","15.1354","0.0004","9.24","0.0003","20.128","0.0006","90","","101.781","0.002","90","","2755.63","0.14","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C30 H42 N2 Si -","- C30 H42 N2 Si -","- C120 H168 N8 Si4 -","4","1","","Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.","Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis","Chemical Science","2013","4","11","4212","","10.1039/c3sc51797g","","","0.71073","MoKα","","0.0757","0.0578","","","0.1372","0.1484","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514859","6.76","0.01","12.76","0.03","18.06","0.03","90","","92.31","0.04","90","","1557","5","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H16 N10 O7 Pt2 -","- C2 H16 N10 O7 Pt2 -","- C8 H64 N40 O28 Pt8 -","4","1","","Komeda, Seiji; Takayama, Hiroshi; Suzuki, Toshihiro; Odani, Akira; Yamori, Takao; Chikuma, Masahiko","Synthesis of antitumor azolato-bridged dinuclear platinum(ii) complexes with in vivo antitumor efficacy and unique in vitro cytotoxicity profiles.","Metallomics : integrated biometal science","2013","5","5","461","468","10.1039/c3mt00040k","","","0.7107","MoKα","","0.0466","0.0418","","","0.1215","0.1247","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515156","5.9382","0.0003","22.9614","0.0017","6.718","0.0004","90","","91.539","0.005","90","","915.66","0.1","200","","200","","","","","","","","local","3","P 1 21/a 1","-P 2yab","14","","","","- C24 H14 O6 -","- C24 H14 O6 -","- C48 H28 O12 -","2","0.5","","Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.","β-Oligofurans","Chemical Science","2012","3","6","2133","","10.1039/c2sc20130e","","","0.71073","MoKα","","0.098","0.0566","","0.1468","0.1277","0.1468","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515236","7.9976","0.001","30.448","0.004","13.5205","0.0018","90","","96.2528","0.0005","90","","3272.8","0.7","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","dibenzoborole","dibenzoborole","","- C21 H19 B -","- C21 H19 B -","- C168 H152 B8 -","8","2","","Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro","Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton?","Chemical Science","2012","3","5","1461","","10.1039/c2sc20100c","","","0.7107","MoKα","","0.0528","0.0484","","","0.1143","0.1182","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515272","29.5322","0.0005","10.3705","0.0002","41.5808","0.0008","90","","99.1602","0.0008","90","","12572.3","0.4","93","2","93","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C74.5 H22.25 Cl3.25 F24 N5 O P -","- C74.5 H22.25 Cl3.25 F24 N5 O P -","- C596 H178 Cl26 F192 N40 O8 P8 -","8","2","","Higashino, Tomohiro; Osuka, Atsuhiro","Phosphorus complexes of a triply-fused [24]pentaphyrin","Chemical Science","2012","3","1","103","","10.1039/c1sc00653c","","","1.54187","CuKα","","0.1505","0.0993","","","0.2551","0.2961","","","","","","0.988","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515330","11.339","","30.546","","13.56","","90","","100.98","","90","","4610.68","","213","2","213","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C46 H61 B F2 N4 O11 -","- C46 H61 B F2 N4 O11 -","- C184 H244 B4 F8 N16 O44 -","4","1","","Batat, Pinar; Vives, Guillaume; Bofinger, Robin; Chang, Ren-Wei; Kauffmann, Brice; Oda, Reiko; Jonusauskas, Gediminas; McClenaghan, Nathan D.","Dynamics of ion-regulated photoinduced electron transfer in BODIPY-BAPTA conjugates","Photochemical & Photobiological Sciences","2012","11","11","1666","","10.1039/c2pp25130b","","","1.54178","CuKα","","0.2002","0.1351","","","0.3753","0.4437","","","","","","1.526","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515486","5.8745","0.0003","7.4316","0.0005","7.9227","0.0005","90","","92.414","0.004","90","","345.57","0.04","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C2 H3 Mn O3 -","- C2 H3 Mn O3 -","- C8 H12 Mn4 O12 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","","0.71073","MoKα","","0.0434","0.0302","","","0.0669","0.0707","","","","","","1.197","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515487","8.1023","0.0002","9.3777","0.0003","12.5161","0.0004","90","","103.948","0.002","90","","922.95","0.05","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C6 H10 Mn2 O6 -","- C6 H10 Mn2 O6 -","- C24 H40 Mn8 O24 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","x-ray","0.71073","MoKα","","0.0367","0.0337","","","0.073","0.0755","","","","","","1.185","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515488","8.1123","0.001","9.3629","0.0011","13.462","0.0018","90","","94.88","0.007","90","","1018.8","0.2","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H12 Mn2 O6 -","- C7 H12 Mn2 O6 -","- C28 H48 Mn8 O24 -","4","1","","Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.","Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2","Chemical Science","2011","2","10","1929","","10.1039/c1sc00253h","","x-ray","0.71073","MoKα","","0.0992","0.0915","","","0.2423","0.252","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515690","13.742","0.001","20.974","0.002","14.377","0.002","90","","99.419","0.003","90","","4087.9","0.8","173.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C49 H43 B F4 P2 Pt -","- C49 H27 B F4 P2 Pt -","- C196 H108 B4 F16 P8 Pt4 -","4","1","","Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo","Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl","Chemical Science","2011","2","1","117","","10.1039/c0sc00269k","","","0.7107","MoKα","","","0.0767","","","","0.2191","","","","","","1.288","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515743","11.8","0.03","6.73","0.01","16.57","0.05","90","","105.29","0.07","90","","1269","5","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Maeda, Hajime; Chiyonobu, Kazuhiko; Mizuno, Kazuhiko","Hydrogen-bonding directed, regioselective photocycloaddition reactions of cyanonaphthalenes with furanmethanols.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1445","1449","10.1039/c1pp05060e","","","0.7107","MoKα","","","0.081","","","","0.077","","","","","","0.991","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516384","15.77423","0.00027","8.07596","0.00008","5.00886","0.00008","90","","111.009","0.0012","90","","595.671","0.016","296","1","296","1","101.325","","101.325","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C20 H24 N8 O16 -","4","1","","Guidoni, Leonardo; Gontrani, Lorenzo; Bencivenni, Luigi; Sadun, Claudia; Ballirano, Paolo","Overcoming the inadequacy of X-ray powder diffraction in reliable hydrogen location with the aid of first principles calculations: crystal structure determination of orotaldehyde monohydrate.","The journal of physical chemistry. A","2009","113","1","353","359","10.1021/jp809076t","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.04826","0.0357","2.4","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516478","12.4111","0.0004","11.2306","0.0004","12.7572","0.0004","90","","98.363","0.003","90","","1759.24","0.1","180","2","180","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H16 Br N O4 S -","- C17 H16 Br N O4 S -","- C68 H64 Br4 N4 O16 S4 -","4","1","","Medina, Florian; Besnard, Céline; Lacour, Jérôme","One-Step Synthesis of Nitrogen-Containing Medium-Sized Rings via α-Imino Diazo Intermediates.","Organic letters","2014","16","12","3232","3235","10.1021/ol5012532","","","0.7107","MoKα","","0.0416","0.0329","","","0.0715","0.0765","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516898","9.3079","0.0005","26.2435","0.0011","9.7687","0.0005","90","","116.795","0.008","90","","2130","0.2","173","2","173","2","","","","","","","synthesis as described","8","P 1 21/a 1","-P 2yab","14","","","","- C19 H22 Cl3 Fe N O Pt S -","- C19 H22 Cl3 Fe N O Pt S -","- C76 H88 Cl12 Fe4 N4 O4 Pt4 S4 -","4","1","","Karlheinz Sunkel; Ramona Branzan; Stefan Weigand","2-Pyridylmetallocenes, part IV. Cycloplatination of 2-pyridyl-ferrocene, -ruthenocene and -cymantrene. Molecular structures of sigma-Pt{CpM[C5H3(2-C5H4N)]}Cl (DMSO) (M = Fe, Ru) and sigma-Pt{CpFe[C5H3(2-C5H4N)]}(acac)","Inorganica Chimica Acta","2013","399","","193","199","","","x-ray","0.71069","MoKα","","0.054","0.0375","","","0.0736","0.0772","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517160","21.56","0.004","31.285","0.006","27.132","0.005","90","","97.14","0.03","90","","18159","6","253","2","253","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C42.5 H53.5 Cl3 N4 O0.25 Pd S2 -","- C42.5 H52 Cl3 N4 O0.25 Pd S2 -","- C680 H832 Cl48 N64 O4 Pd16 S32 -","16","4","","Yang, Dan; Chen, Ying-Chun; Zhu, Nian-Yong","Sterically bulky thioureas as air- and moisture-stable ligands for pd-catalyzed Heck reactions of aryl halides.","Organic letters","2004","6","10","1577","1580","10.1021/ol049697+","","","0.71073","MoKα","","0.1884","0.0806","","","0.2247","0.2675","","","","","","0.879","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518199","8.952","0.002","7.218","0.002","11.111","0.003","90","","115.93","0.04","90","","645.7","0.4","","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- F5 H5 N2 Sn2 -","- F5 N2 Sn2 -","- F20 N8 Sn8 -","4","1","","Vilminot, S.; Granier, W.; Wahbi, H.; Cot, L.","Etude structurale de N2H5Sn2F5","Revue de Chimie Minerale","1987","24","","362","367","","","x-ray","0.71069","MoKα","","","0.028","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518331","8.2464","0.0007","12.5278","0.0009","9.1307","0.0007","90","","104.737","0.009","90","","912.26","0.13","291","2","291.15","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C5 H8 Ag Br2 N2 -","- C5 H8 Ag Br2 N2 -","- C20 H32 Ag4 Br8 N8 -","4","1","","Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin","Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules","Inorganica Chimica Acta","2015","425","","52","60","10.1016/j.ica.2014.09.032","","","1.5418","CuKα","","0.0865","0.0788","","","0.2171","0.2282","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518333","7.049","0.0003","21.8537","0.0009","13.1219","0.0007","90","","93.54","0.004","90","","2017.53","0.16","291","2","291.15","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H20 Ag2 Br4 N4 -","- C12 H20 Ag2 Br4 N4 -","- C48 H80 Ag8 Br16 N16 -","4","1","","Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin","Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules","Inorganica Chimica Acta","2015","425","","52","60","10.1016/j.ica.2014.09.032","","","0.7107","MoKα","","0.0843","0.0466","","","0.0941","0.1123","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518746","9.998","0.002","15.476","0.003","12.957","0.003","90","","92.64","0.02","90","","2002.7","0.7","","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H33 N5 O2 -","- C19 N5 O2 -","- C76 N20 O8 -","4","1","","Hietapelto, Vesa; Huuskonen, Juhani; Laitinen, Risto S.; Leppa-aho, Jaakko; Pursiainen, Jouni","Preparation, Characterization and Complexation of 4,6-Dimethyl-1,3-bis{methyl[1-(2-hydroxyethyl)piperazyl]}benzene and 2,6-Di{methyl[1-(2-hydroxyethyl)piperazyl]}pyridine","Acta Chemica Scandinavica","1999","53","","194","201","","","x-ray","0.71073","MoKα","","","0.0591","","","0.1079","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519005","9.47","0.002","7.93","0.001","9.865","0.001","90","","115.78","0.01","90","","667.1","0.19","","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Ba Ca H2 O8 P2 -","- Ba Ca H2 O8 P2 -","- Ba4 Ca4 H8 O32 P8 -","4","1","","Taher, L. B.; Chabchoub, S.; Smiri-Dogguy, L.","Investigation of mixed alkaline earth phosphates. Synthesis and crystal structure of CaBa(HPO4)2 : A new mixed alkaline earth hydrogenmonophosphate","Solid State Sciences","1999","1","","15","24","","","x-ray","0.71069","MoKα","","","0.0331","","","0.0858","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519083","12.969","0.005","8.3153","0.0009","16.004","0.002","90","","103.36","0.02","90","","1679.2","0.7","","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H12 Cu N2 Na2 O11 -","- C14 Cu N2 Na2 O11 -","- C56 Cu4 N8 Na8 O44 -","4","1","","Sileo, Elsa E.; Rigotti, Graciela; Piro, Oscar E.","Solid-State Coordination Chemistry of Pyridinedicarboxylic Acid Isomers. II. Crystal and Molecular Structure of Sodium Bis(pyridine-2,4-dicarboxylato)cuprate(II) trihydrate.","Acta Chemica Scandinavica","1999","53","","535","541","","","x-ray","0.71069","MoKα","","","0.074","","","0.222","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519140","15.815","0.005","11.848","0.008","16.041","0.005","90","","90.565","0.018","90","","3006","2","220","2","220","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H50 N2 P2 Se2 Zn -","- C22 H50 N2 P2 Se2 Zn -","- C88 H200 N8 P8 Se8 Zn4 -","4","1","","Bochmann, Manfred; Coles, Simon J.; Hursthouse, Michael B.","C22H50N2P2Se2Zn","Crystal Structure Report Archive","1994","","","1195","","","","","0.71069","MoKα","","0.052","0.0407","","","0.0955","0.0972","","","","","","0.964","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519617","9.396","0.002","11.516","0.002","9.933","0.001","90","","97.59","0.01","90","","1065.4","0.3","93.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H8 Cl N O3 -","- C11 H8 Cl N O3 -","- C44 H32 Cl4 N4 O12 -","4","1","","Itoh, Takahito; Tachino, Kyoko; Akira, Naoki; Uno, Takahiro; Kubo, Masataka; Tohnai, Norimitsu; Miyata, Mikiji","Twofold Helical Polymerization: Thermal Solid-State Polymerization of 7-Cyano-7-(2′-haloethoxycarbonyl)-1,4-benzoquinone Methides","Macromolecules","2015","48","9","2935","","10.1021/ma502606s","","","1.5419","CuKα","","","0.0514","","","","0.133","","","","","","0.722","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519937","11.137","0.002","8.279","0.001","5.5381","0.0009","90","","100.423","0.013","90","","502.2","0.14","296","2","296","2","","","","","","","Blue Lizard mine, San Juan County, Utah, USA","8","P 1 21/a 1","-P 2yab","14","manganoblödite","","manganoblödite","- Co0.14 H8 Mg0.29 Mn0.44 Na1.96 Ni0.06 O12 S2.03 -","- Co0.14 H8 Mg0.29 Mn0.45 Na2 Ni0.06 O12 S2 -","- Co0.28 H16 Mg0.58 Mn0.9 Na4 Ni0.12 O24 S4 -","2","0.5","","Kasatkin, A. V.; Nestola, F.; Plášil, J.; Marty, J.; Belakovskiy, D. I.; Agakhanov, A. A.; Mills, S. J.; Pedron, D.; Lanza, A.; Favaro, M.; Bianchin, S.; Lykova, I. S.; Goliáš, V.; Birch, W. D.","Manganoblödite, Na2Mn(SO4)2·4H2O, and cobaltoblödite, Na2Co(SO4)2·4H2O: two new members of the blödite group from the Blue Lizard mine, San Juan County, Utah, USA","Mineralogical Magazine","2013","77","3","367","383","10.1180/minmag.2013.077.3.10","","","0.71073","MoKα","","0.121","0.0459","","","0.1022","0.1155","","","","","","0.996","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1520666","12.7486","0.0002","20.8969","0.0004","18.9393","0.0003","90","","103.248","0.0007","90","","4911.28","0.15","103","2","103","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C80 H162 Ge2 Si14 -","- C80 H162 Ge2 Si14 -","- C160 H324 Ge4 Si28 -","2","0.5","","Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Sugamata, Koh; Guo, Jing-Dong; Nagase, Shigeru; Tokitoh, Norihiro","Reaction of a diaryldigermyne with ethylene","Chem. Sci.","2015","6","10","5526","","10.1039/C5SC01266J","","","0.71075","MoKα","","0.0495","0.0377","","","0.0902","0.0977","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520732","14.314","0.001","10.746","0.001","8.947","0.001","90","","103.89","0.01","90","","1336","0.2","","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H28 Br6 N2 Te -","- C18 Br6 N2 Te -","- C36 Br12 N4 Te2 -","2","0.5","","Hauge, Sverre; Maroy, Kjartan","Synthesis and Crystal Structures of Phenyltrimethylammonium Salts of Hexabromotellurate(IV), [C6H5(CH3)3N]2[TeBr6], and catena-poly[(Di-mu-bromobis(tetrabromotellurate(IV)))-mu-bromine], [C6H5(CH3)3N]2n[Te2Br10.Br2]n","Acta Chemica Scandinavica","1998","52","","445","449","10.3891/acta.chem.scand.52-0445","","x-ray","0.71069","MoKα","","","0.042","","","0.044","","","","","","","1.99","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520917","12.781","","12.787","","7.93","","90","","90","","90","","1296.01","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K0.38 (Mg0.38 In0.62) F3","","- F3 In0.62 K0.38 Mg0.38 -","- F3 In0.62 K0.38 Mg0.38 -","- F60 In12.4 K7.6 Mg7.6 -","20","5","","Caramanian, A.; Dupont, N.; Gredin, P.; de Kozak, A.","The crystal structure of Kx (Mgx In1-x) F3 (x=0.38): a new Magneli-bronze type fluoride","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","933","938","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521192","5.4044","","14.5145","","4.7052","","90","","102.798","","90","","359.917","","","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","(Mn0.776 Fe0.229 Mg0.007) Be (P O4) ((O H)0.92 F0.08)","","- Be F0.08 Fe0.229 H0.92 Mg0.007 Mn0.776 O4.92 P -","- Be F0.08 Fe0.229 H0.92 Mg0.007 Mn0.776 O4.92 P -","- Be4 F0.32 Fe0.916 H3.68 Mg0.028 Mn3.104 O19.68 P4 -","4","1","","Huminicki, D.M.C.; Hawthorne, F.C.","Refinement of the crystal structure of vayrynenite","Canadian Mineralogist","2000","38","","1425","1432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521484","13.707","","14.466","","9.366","","90","","133.64","","90","","1343.99","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Na2 Rb C60","","- C60 Na2 Rb -","- C60 Na2 Rb -","- C120 Na4 Rb2 -","2","0.5","","Lappas, A.; Brown, C.M.; Kordatos, K.; Prassides, K.; Tanigaki, K.; Suard, E.","Neutron diffraction study of the polymeric structure of Na2 Rb C60","Journal of Physics: Condensed Matter","1999","11","","371","381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521688","5.3624","","5.4451","","27.238","","90","","90.288","","90","","795.307","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Nd4 Co3 O10","","- Co3 Nd4 O10 -","- Co3 Nd4 O10 -","- Co12 Nd16 O40 -","4","1","","Olafsen, A.; Hauback, B.C.; Fjellvag, H.","Crystal structure and properties of Nd4 Co3 O10+d and Nd4 Ni3 O10-d","Journal of Solid State Chemistry","2000","151","","46","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521689","5.3675","","5.4548","","27.433","","90","","90.312","","90","","803.189","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- Nd4 Ni3 O10 -","- Nd4 Ni3 O10 -","- Nd16 Ni12 O40 -","4","1","","Olafsen, A.; Fjellvag, H.; Hauback, B.C.","Crystal structure and properties of Nd4 Co3 O10+d and Nd4 Ni3 O10-d","Journal of Solid State Chemistry","2000","151","","46","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522326","15.3812","","9.04167","","17.8808","","90","","125.361","","90","","2027.97","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","Al2 (Mo3 O12)","","- Al2 Mo3 -","- Al2 Mo3 -","- Al16 Mo24 -","8","2","","Zhao, X.-H.","The synthesis and structure of Al2 Mo3-x Wx O12","Gaodeng Xuexiao Huaxue Xuebao","1999","20","","339","343","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1523702","47","","8.75","","9.56","","90","","90.95","","90","","3931.01","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","H2 Fe Ru3 (C O)13","","- C13 H2 Fe O13 Ru3 -","- C13 Fe O13 Ru3 -","- C104 Fe8 O104 Ru24 -","8","2","","Gilmore, C.J.; Woodward, P.","Crystal and molecular structure of H2 Fe Ru3 (C O)13 : a tetrahedral hydridocarbonyl of iron and ruthenium containing asymmetric carbon bridges","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1971","1971","","3453","3458","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524203","15.707","","9.231","","18.204","","90","","125.25","","90","","2155.46","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Fe2 (Mo O4)3","","- Fe2 Mo3 O12 -","- Fe2 Mo3 O12 -","- Fe16 Mo24 O96 -","8","2","","Chen, H.-Y.","The crystal structure and twinning behavior of ferric molybdate Fe2 (Mo O4)3","Materials Research Bulletin","1979","14","","1583","1590","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1524698","9.467","","9.876","","8.71","","90","","90","","90","","814.351","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K Ga Ge3 O8","","- Ga Ge3 K O8 -","- Ga Ge3 K O8 -","- Ga4 Ge12 K4 O32 -","4","1","","Klaska, R.; Jarchow, O.","K Ga Ge3 O8, ein Paracelsian-Typ mit einwertigem Kation","Naturwissenschaften","1977","64","","92","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524895","6.882","","10.315","","4.961","","90","","91.66","","90","","352.023","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Na2 Te O3","","- Na2 O3 Te -","- Na2 O3 Te -","- Na8 O12 Te4 -","4","1","","Masse, R.; Guitel, J.C.; Trodjman, I.","Preparation chimique et structure cristalline des tellurites de sodium et d'argent: Na2 Te O3, Ag2 Te O3","Materials Research Bulletin","1980","15","","431","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524918","10.83","","9.98","","7.174","","90","","108.1","","90","","737.021","","","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","Zr Fe Na1.5 Ca0.5 (Si2 O7) O F","","- Ca0.5 F Fe Na1.5 O8 Si2 Zr -","- Ca0.5 F Fe Na1.5 O8 Si2 Zr -","- Ca2 F4 Fe4 Na6 O32 Si8 Zr4 -","4","1","","Mellini, M.","Refinement of the crystal structure of Lavenite","TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-)","1981","28","","99","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525523","14.28","","5.04","","8.228","","90","","97.57","","90","","587.018","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(N H4) Ag (N O3)2","","- Ag H4 N3 O6 -","- Ag N3 O6 -","- Ag4 N12 O24 -","4","1","","Zobetz, E.","Die Kristallstruktur der isotypen Verbindungen K Ag (N O3)2, (N H4) Ag (N O3)2 und Rb Ag (N O3)2","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1980","111","","1253","1263","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525702","7.699","","8.183","","7.799","","90","","110.93","","90","","458.924","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Cs0.86 (N H4)0.14 (H S O4)0.66 (H Se O4)0.34","","- Cs0.86 H1.56 N0.14 O4 S0.66 Se0.34 -","- Cs0.86 H N0.14 O4 S0.66 Se0.34 -","- Cs3.44 H4 N0.56 O16 S2.64 Se1.36 -","4","1","","Bouattour, S.; Kolsi, A.W.; Mhiri, T.; Jaud, J.; Romain, F.","Crystal structure and vibrational study of phase transition in the new material Cs0.86 (N H4)0.14 (H S O4)0.66 (H Se O4)0.34","Journal of Physics and Chemistry of Solids","2001","62","","1985","1990","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526067","12.694","","6.886","","13.161","","90","","110.58","","90","","1077","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","(Zn I2) (C O (N H2)2)2","","- C2 H8 I2 N4 O2 Zn -","- C2 H8 I2 N4 O2 Zn -","- C8 H32 I8 N16 O8 Zn4 -","4","1","","Furmanova, N.G.; Resnyanskii, V.F.; Sulaimankulov, K.S.; Sulaimankulova, D.K.; Zhorobekova, Sh.Zh.","Crystal structure of a zinc iodide complex with urea: Zn I2 * 2(C O (N H2)2)","Kristallografiya","2001","46","","58","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526110","11.0717","","7.2994","","11.579","","90","","111.3","","90","","871.856","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Na Sm (P2 S6)","","- Na P2 S6 Sm -","- Na P2 S6 Sm -","- Na4 P8 S24 Sm4 -","4","1","","Goh, E.-Y.; Kim, E.-J.; Kim, S.-J.","Structure modification on quaternary rare earth thiophosphates: Na Yb P2 S6, Na Sm P2 S6 and K Sm P2 S7","Journal of Solid State Chemistry","2001","160","","195","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526111","8.981","","12.254","","9.6094","","90","","90.27","","90","","1057.53","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K Sm (P2 S7)","","- K P2 S7 Sm -","- K P2 S7 Sm -","- K4 P8 S28 Sm4 -","4","1","","Goh, E.-Y.; Kim, E.-J.; Kim, S.-J.","Structure modification on quaternary rare earth thiophosphates: Na Yb P2 S6, Na Sm P2 S6 and K Sm P2 S7","Journal of Solid State Chemistry","2001","160","","195","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526158","7.032","","5","","14.425","","90","","116.59","","90","","453.539","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Cr Fe Ti2 O7","","- Cr Fe O7 Ti2 -","- Cr Fe O7 Ti2 -","- Cr4 Fe4 O28 Ti8 -","4","1","","Grey, I.E.; Mumme, W.G.","The Structure of Cr Fe Ti2 O7","Journal of Solid State Chemistry","1972","5","","168","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527079","17.619","","4.8995","","8.917","","90","","124.08","","90","","637.553","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ca3 Cu3 (P O4)4","","- Ca3 Cu3 O16 P4 -","- Ca3 Cu3 O16 P4 -","- Ca6 Cu6 O32 P8 -","2","0.5","","Anderson, J.B.; Kostiner, E.; Ruszala, F.A.","The crystal structure of Ca3 Cu3 (P O4)4","Journal of Solid State Chemistry","1981","39","","29","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1527082","7.285","","7.517","","3.835","","90","","90","","90","","210.01","","","","","","","","","","","","","1","P 1 21/a 1","-P 2yab","14","","W O3","","- W -","- W -","- W4 -","4","1","","Andersson, G.","On the crystal structure of tungsten trioxide","Acta Chemica Scandinavica (1-27,1973-42,1988)","1953","7","","154","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527489","8.821","","22.197","","7.178","","90","","91.41","","90","","1405.03","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(Co (N H3)6) (Sn Cl4) Cl","","- Cl5 Co H18 N6 Sn -","- Cl5 Co H18 N6 Sn -","- Cl20 Co4 H72 N24 Sn4 -","4","1","","Haupt, H.J.; Huber, F.; Preut, H.","Darstellung und Kristallstruktur von Hexamminkobalt (III)-tetrachloro-stannat (II)-chlorid (Co (N H3)6)(Sn Cl4) Cl","Zeitschrift fuer Anorganische und Allgemeine Chemie","1976","422","","97","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1527634","24.54","","5.439","","6.701","","90","","94.28","","90","","891.909","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- Mo4 O11 -","- Mo4 O11 -","- Mo16 O44 -","4","1","","Kihlborg, L.","Crystal structure studies on monoclinic and orthorhombic Mo4 O11","Arkiv foer Kemi","1963","21","","365","377","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527762","15.365","","5.0717","","7.5266","","90","","107.18","","90","","560.353","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- Cu Nb3 O8 -","- Cu Nb3 O8 -","- Cu4 Nb12 O32 -","4","1","","Marinder, B.O.; Werner, P.E.; Wahlstroem, E.; Malmros, G.","Investigations on a New Copper Niobium Oxide of Li Nb3 O8 Type Using Chemical Analysis and X-Ray Powder Diffraction Profile Analysis","Acta Chemica Scandinavica, Series A: (28,1974-)","1980","34","","51","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527870","8.58","","7.53","","7.7","","90","","106.03","","90","","478.134","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ba Te O3 H2 O","","- Ba H2 O4 Te -","- Ba H2 O4 Te -","- Ba4 H8 O16 Te4 -","4","1","","Nielsen, B.R.; Hazell, R.G.; Rasmussen, S.E.","The crystal structure of barium tellurite monohydrate, Ba Te O3 H2 O","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","3037","3042","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1528871","12.586","","16.437","","6.62","","90","","100.67","","90","","1345.84","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Hg (Co (C O)4)2","","- C8 Co2 Hg O8 -","- C8 Co2 Hg O8 -","- C32 Co8 Hg4 O32 -","4","1","","Sheldrick, G.M.; Simpson, R.N.F.","The Crystal and Molecular Structure of Bis(tetracarbonylcobalt)mercury, Hg (Co (C O)4)2","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1968","1968","","1005","1009","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528897","12.03","","10.09","","6.26","","90","","107.5","","90","","724.687","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K (Zn Cl3) (H2 O)2","","- Cl3 H4 K O2 Zn -","- Cl3 H4 K O2 Zn -","- Cl12 H16 K4 O8 Zn4 -","4","1","","Suesse, P.; Brehler, B.","Die Kristallstruktur des K Zn Cl3 (H2 O)2","Beitraege zur Mineralogie und Petrographie (-11,1965)","1964","10","","132","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1528968","12.366","","13.276","","9.943","","90","","108.23","","90","","1550.42","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Mn2 (O H) (P O4)","","- H Mn2 O5 P -","- Mn2 O5 P -","- Mn32 O80 P16 -","16","4","","Waldrop, L.","Crystal structure of triploidite","Naturwissenschaften","1968","55","","296","297","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529038","13.877","","5.4577","","9.452","","90","","90","","90","","715.861","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Sr3 Mg (Si2 O8)","","- Mg O8 Si2 Sr3 -","- Mg O8 Si2 Sr3 -","- Mg4 O32 Si8 Sr12 -","4","1","","Yonesaki, Y.; Takei, T.; Kumada, N.; Kinomura, N.","Crystal structure of Eu(2+)-doped M3 Mg Si2 O8 (M: Ba, Sr, Ca) compounds and their emission properties","Journal of Solid State Chemistry","2009","182","","547","554","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529584","8.29","","8.8","","7.81","","90","","90","","90","","569.755","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ca Be2 (P O4)2","","- Be2 Ca O8 P2 -","- Be2 Ca O8 P2 -","- Be8 Ca4 O32 P8 -","4","1","","Bakakin, V.V.; Belov, N.V.","The crystal structure of hurlbutite","Doklady Akademii Nauk SSSR","1960","135","","587","590","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529670","9.42","","9.47","","7.4","","90","","118.68","","90","","579.145","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K2 (Pt (N O2)4 Cl2)","","- Cl2 K2 N4 O8 Pt -","- Cl2 K2 N4 O8 Pt -","- Cl4 K4 N8 O16 Pt2 -","2","0.5","","Bokii, G.B.; Guilinskaja, E.A.","The X-ray analysis of the compounds K2 (Pt (N O2)4 Cl2) and K2 (Pt (N O2)4 Br2)","Doklady Akademii Nauk SSSR","1953","88","","975","978","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529725","9.8463","","16.896","","2.8462","","90","","94.95","","90","","471.737","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- Mn1.5 Mo8 O11 -","- Mn1.508 Mo8 O11 -","- Mn3.016 Mo16 O22 -","2","0.5","","Carlson, C.D.; Brough, L.F.; McCarley, R.E.; Edwards, P.A.","Synthesis, structure and properties of Mn1.5 Mo8 O11, a unique structure type among compounds having infinite chains of trans-edge-shared octahedral cluster units","Journal of the Less-Common Metals","1989","156","","325","339","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529964","11.42","","5.05","","8.93","","90","","109.3","","90","","486.059","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ca5 (Si O4)2 (O H)2","","- Ca5 H2 O10 Si2 -","- Ca5 H4 O10 Si2 -","- Ca10 H8 O20 Si4 -","2","0.5","","Ganiev, R.M.; Kharitonov, Yu.A.; Ilyukhin, V.V.; Belov, N.V.","The crystal structure of calcium chondrodite Ca5 (Si O4)2 (O H)2 = Ca (O H)2 (Ca2 Si O4)2","Doklady Akademii Nauk SSSR","1969","188","","1281","1283","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1529985","13.023","","8.7994","","5.8422","","90","","90.231","","90","","669.479","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Ca Fe2.83 (H Si2 O9)","","- Ca Fe2.83 H O9 Si2 -","- Ca Fe2.83 H O9 Si2 -","- Ca4 Fe11.32 H4 O36 Si8 -","4","1","","Ghose, S.; Marezio, M.; Hewat, A.W.","A neutron powder diffraction study of the crystal and magnetic structures of Ilvaite from 305K to 5K a mixed valence iron silicate with an electronic transition","Physics and Chemistry of Minerals (Germany)","1984","11","","67","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530062","15.3803","","9.0443","","17.888","","90","","125.382","","90","","2028.73","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Al2 (Mo O4)3","","- Al2 Mo3 O12 -","- Al2 Mo3 O12 -","- Al16 Mo24 O96 -","8","2","","Harrison, W.T.A.; Cheetham, A.K.; Faber, J.jr","The crystal structure of aluminium molybdate, Al2 (M O4)3, determined by time-of-flight powder neutron diffraction","Journal of Solid State Chemistry","1988","76","","328","333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530125","7.059","","9.784","","7.715","","90","","101.44","","90","","522.253","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Cs Sb S2","","- Cs S2 Sb -","- Cs S2 Sb -","- Cs4 S8 Sb4 -","4","1","","Kanishcheva, A.S.; Batog, V.N.; Mikhailov, Yu.N.; Kuznetsov, V.G.","Crystal structure of Cs Sb S2","Doklady Akademii Nauk SSSR","1980","251","","603","605","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530293","13.4365","","8.5226","","7.1356","","90","","99.717","","90","","805.403","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Gd (I O3)3","","- Gd I3 O9 -","- Gd I3 O9 -","- Gd4 I12 O36 -","4","1","","Liminga, R.; Abrahams, S.C.; Bernstein, J.L.","Paramagnetic Gd (I O3)3. Crystal Structure of the Transition Metal Iodates. IV","Journal of Chemical Physics","1977","67","","1015","1023","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530421","9.959","","9.806","","6.415","","90","","104.83","","90","","605.608","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Cs2 (U O2 Br4)","","- Br4 Cs2 O2 U -","- Br4 Cs2 O2 U -","- Br8 Cs4 O4 U2 -","2","0.5","","Mikhailov, Yu.N.; Kuznetsov, V.G.","The crystal structure of cesium tetrabromouranate Cs2 (U O2 Br4)","Zhurnal Neorganicheskoi Khimii","1971","16","","2512","2516","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530481","14.308","","4.518","","6.516","","90","","91.76","","90","","421.019","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Tl (H2 P O4)","","- H2 O4 P Tl -","- H2 O4 P Tl -","- H8 O16 P4 Tl4 -","4","1","","Nelmes, R.J.; Choudhary, R.N.P.","Structural studies of the monoclinic dihydrogen phosphates. II. A neutron-diffraction study of the Tl H2 P O4","Solid State Communications","1981","38","","321","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530583","21.055","","10.233","","10.121","","90","","110.48","","90","","2042.8","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K2.38 Sb3.62 Ti0.38 O11","","- K2.38 O11 Sb3.62 Ti0.38 -","- K2.38 O11 Sb3.62 Ti0.38 -","- K19.04 O88 Sb28.96 Ti3.04 -","8","2","","Piffard, Y.; Marchand, R.; Tournoux, M.","Structure cristalline de K2.38 Sb3.62 Ti0.38 O11. Relation structurale entre K2.38 Sb3.62 Ti0.38 O11 et K2 Sb4 O11","Annales de Chimie (Paris)","1981","6","","419","427","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530607","7.82","","12.82","","9.44","","90","","96.57","","90","","940.168","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K2 (Pd (N O2)4)","","- K2 N4 O8 Pd -","- K2 N4 O8 Pd -","- K8 N16 O32 Pd4 -","4","1","","Porai-Koshits, M.A.","About the crystal structure of potassium tetranitropalladate","Doklady Akademii Nauk SSSR","1947","58","","603","605","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530608","7.771","","12.795","","9.219","","90","","95.93","","90","","911.74","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K2 (Pt (N O2)4)","","- K2 N4 O8 Pt -","- K2 N4 O8 Pt -","- K8 N16 O32 Pt4 -","4","1","","Porai-Koshits, M.A.; Kukina, G.A.; Nikolaev, V.P.","Crystal structure of potassium tetranitroplatinate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1978","4","","1435","1440","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530610","8.07","","6.05","","5.46","","90","","93.75","","90","","266.006","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(N H3)2 Cl2 Pt","","- Cl2 H6 N2 Pt -","- Cl2 H6 N2 Pt -","- Cl4 H12 N4 Pt2 -","2","0.5","","Porai-Koshits, M.A.","The structure of the crystals of salt platinum trans-dichlorodiammine","Trudy Instituta Kristallografii, Akademiya Nauk SSSR","1954","9","","229","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1530766","10.54","","9.9","","7.14","","90","","108.2","","90","","707.758","","","","","","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","Na2 Ca2 Fe Mn Zr2 (Si O4)4 (O H) F","","- Ca2 F Fe H Mn Na2 O17 Si4 Zr2 -","- Ca2 F Fe Mn Na2 O17 Si4 Zr2 -","- Ca4 F2 Fe2 Mn2 Na4 O34 Si8 Zr4 -","2","0.5","","Simonov, V.I.; Belov, N.V.","The crystal structure of lovenite","Doklady Akademii Nauk SSSR","1960","130","","1333","1336","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530931","7.255","","9.833","","6.665","","90","","122.74","","90","","399.934","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K4 Na2 (Te O6)","","- K4 Na2 O6 Te -","- K4 Na2 O6 Te -","- K8 Na4 O12 Te2 -","2","0.5","","Untenecker, H.; Hoppe, R.","Neue Oxotellurate(VI): K4 Na2 (Te O6)","Journal of the Less-Common Metals","1986","125","","223","231","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531023","10.342","","10.446","","9.971","","90","","96.72","","90","","1069.79","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K2 Nb2 As2 O11","","- As2 K2 Nb2 O11 -","- As2 K2 Nb2 O11 -","- As8 K8 Nb8 O44 -","4","1","","Zid, M.F.; Jouini, T.; Omezzine, M.; Jouini, N.","Preparation et structure cristalline de K2 Nb2 As2 O11","Journal of Solid State Chemistry","1988","74","","337","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531203","17.77","","5.651","","17.458","","90","","116.18","","90","","1573.26","","","","","","","","","","","","","11","P 1 21/a 1","-P 2yab","14","","(Ca (La0.61 Ce1.54 Nd0.85)) (Al2 (Al0.8 Mg0.2) (Al0.33 Mg0.33 Fe0.33)) (Si O4)3 (Si2 O7) (O0.86 F0.14) (O0.4 (O H)1.6)","","- Al3.13 Ca Ce1.54 F0.14 Fe0.33 H1.6 La0.61 Mg0.53 Nd0.85 O21.86 Si5 -","- Al3.133 Ca Ce1.539 F0.14 Fe0.333 H1.6 La0.609 Mg0.533 Nd0.849 O21.86 Si5 -","- Al12.532 Ca4 Ce6.156 F0.56 Fe1.332 H6.4 La2.436 Mg2.132 Nd3.396 O87.44 Si20 -","4","1","","Bonazzi, P.; Bindi, L.; Parodi, G.C.","Gatelite-(Ce), a new REE-bearing mineral from Trimouns, French Pyrenees: crystal structure and polysomatic relationships with epidote and tornebohmite-(Ce)","American Mineralogist","2003","88","","223","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531433","17.4295","","9.3803","","9.3769","","90","","101.04","","90","","1504.69","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(H3 O)2 (Cl8 (Mo Br)6) (H2 O)6","","- Br6 Cl8 H18 Mo6 O8 -","- Br6 Cl8 H18 Mo6 O8 -","- Br12 Cl16 H36 Mo12 O16 -","2","0.5","","Flemstroem, A.; Hirsch, T.K.; Ojamaee, L.; Lidin, S.; Sehlstedt, L.","Effects from hydrogen bonds on water structure in (H3 O)2 (Mo6 Cl8 X6) * y(H2 O) : X = Cl(y=7), Br(y=6) or I(y=6)","Solid State Sciences","2002","4","","1017","1022","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531434","18.0083","","9.7612","","9.8139","","90","","100.2","","90","","1697.85","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(H3 O)2 (Cl8 (Mo I)6) (H2 O)6","","- Cl8 H18 I6 Mo6 O8 -","- Cl8 H18 I6 Mo6 O8 -","- Cl16 H36 I12 Mo12 O16 -","2","0.5","","Flemstroem, A.; Hirsch, T.K.; Sehlstedt, L.; Lidin, S.; Ojamaee, L.","Effects from hydrogen bonds on water structure in (H3 O)2 (Mo6 Cl8 X6) * y(H2 O) : X = Cl(y=7), Br(y=6) or I(y=6)","Solid State Sciences","2002","4","","1017","1022","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533055","16.406","","9.663","","19.099","","90","","125.411","","90","","2467.7","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","In2 (W O4)3","","- In2 O12 W3 -","- In2 O12 W3 -","- In16 O96 W24 -","8","2","","Richard, A.P.; Edwards, D.D.","Subsolidus phase relations and crystal structures of the mixed-oxide phases in the (In2 O3)-(W O3) system","Journal of Solid State Chemistry","2004","177","","2740","2748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533438","15.411","","21.8809","","10.15","","90","","109.42","","90","","3227.92","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Sr (V6 O15)","","- O15 Sr V6 -","- O15 Sr V6 -","- O180 Sr12 V72 -","12","3","","Sellier, C.; Boucher, F.; Janod, E.","Crystal structure and charge order below the metal-insulator transition in the vanadium bronze beta-(Sr V6 O15)","Solid State Sciences","2003","5","","591","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533902","8.158","","8.128","","6.286","","90","","101.01","","90","","409.142","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Cu (H C O O)2 (H2 O)4","","- C2 H10 Cu O8 -","- C2 H10 Cu O8 -","- C4 H20 Cu2 O16 -","2","0.5","","Omura, T.; Moriyoshi, C.; Ikeda, S.; Itoh, K.; Fukazawa, H.","Structural change of Cu (H C O O)2 * 4(H2 O) associated with the antiferroelectric phase transition","Ferroelectrics","2002","270","","375","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534207","13.971","","17.549","","9.23","","90","","95.87","","90","","2251.12","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Re3 (C O)14 (N O2))","","- C14 N O16 Re3 -","- C14 N O16 Re3 -","- C56 N4 O64 Re12 -","4","1","","Balbach, B.K.; Ziegler, M.L.; Helus, F.; Oberdorfer, F.","Stickstoffdioxid und die Isoelektronische COOH-Gruppe als 5-Elektronendonoren in Carbonylmetallkomplexen; Herstellung und Charakterisierung der ersten 'Metallacarbonsaeure'","Angewandte Chemie (German Edition)","1981","93","","479","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534375","9.53","","11.95","","4.24","","90","","94.4","","90","","481.443","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K (Au Br4) (H2 O)2","","- Au Br4 H4 K O2 -","- Au Br4 H4 K O2 -","- Au2 Br8 H8 K2 O4 -","2","0.5","","Cox, E.G.; Webster, K.C.","The stereochemistry of quadricovalent atoms: Trivalent gold","Journal of the Chemical Society","1936","1936","","1635","1637","","","","","","","","","","","","","","","","","","","","","","has coordinates","188927","2020-10-21","18:00:00",""
"1534407","5.6674","","10.771","","7.4738","","90","","102.422","","90","","445.547","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Li (Re O4) (H2 O)","","- H2 Li O5 Re -","- Li O5 Re -","- Li4 O20 Re4 -","4","1","","Abakumov, A.M.; Shpanchenko, R.V.; Rozova, M.G.; Mironov, A.V.; Antipov, E.V.; Bramnik, K.G.","Synthesis and crystal structure of the lithium perrhenate monohydrate Li Re O4 . (H2 O)","Solid State Sciences","2001","3","","581","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534867","6.427","","9.363","","10.051","","90","","106.16","","90","","580.931","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Mg3.74 Cr2.25) (P O4)4","","- Cr2.25 Mg3.74 O16 P4 -","- Cr2.242 Mg3.758 O16 P4 -","- Cr4.484 Mg7.516 O32 P8 -","2","0.5","","Maass, K.; Glaum, R.; Gruehn, R.","Beitraege zum thermischen Verhalten und zur Kristallchemie von Wasserfreien Phosphaten XXXII. Neue Orthophosphate des zweiwertigen Chroms - Mg3 Cr3 (P O4)4, Mg3.75 Cr2.25 (P O4)4, Ca3 Cr3 (P O4)4 und Ca2.00 Cr4.00 (P O4)4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1663","1672","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534926","13.095","","7.499","","6.6272","","90","","91.992","","90","","650.394","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Hg3 Se2 (Hf Cl6)","","- Cl6 Hf Hg3 Se2 -","- Cl6 Hf Hg3 Se2 -","- Cl12 Hf2 Hg6 Se4 -","2","0.5","","Beck, J.; Hedderich, S.","Expanded polycationic mercury - chalcogen networks in the layered compounds Hg3 E2 (M X6) (E= S, Se; M= Zr, Hf; X= Cl, Br)","Journal of Solid State Chemistry","2003","172","","12","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534930","13.5099","","7.5679","","7.0197","","90","","92.164","","90","","717.193","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Hg3 Se2 (Zr Br6)","","- Br6 Hg3 Se2 Zr -","- Br6 Hg3 Se2 Zr -","- Br12 Hg6 Se4 Zr2 -","2","0.5","","Beck, J.; Hedderich, S.","Expanded polycationic mercury - chalcogen networks in the layered compounds Hg3 E2 (M X6) (E = S, Se; M = Zr, Hf; X = Cl, Br)","Journal of Solid State Chemistry","2003","172","","12","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534933","13.1133","","7.4975","","6.6335","","90","","91.207","","90","","652.041","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Hg3 Se2 (Zr Cl6)","","- Cl6 Hg3 Se2 Zr -","- Cl6 Hg3 Se2 Zr -","- Cl12 Hg6 Se4 Zr2 -","2","0.5","","Beck, J.; Hedderich, S.","Expanded polycationic mercury - chalcogen networks in the layered compounds Hg3 E2 (M X6) (E = S, Se; M = Zr, Hf; X = Cl, Br)","Journal of Solid State Chemistry","2003","172","","12","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534936","12.9083","","7.3497","","6.6218","","90","","91.755","","90","","627.93","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Hg3 S2 (Zr Cl6)","","- Cl6 Hg3 S2 Zr -","- Cl6 Hg3 S2 Zr -","- Cl12 Hg6 S4 Zr2 -","2","0.5","","Beck, J.; Hedderich, S.","Expanded polycationic mercury - chalcogen networks in the layered compounds Hg3 E2 (M X6) (E = S, Se; M = Zr, Hf; X = Cl, Br)","Journal of Solid State Chemistry","2003","172","","12","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535392","13.248","","9.7576","","13.442","","90","","108.938","","90","","1643.57","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","In4 (P2 O7)3","","- In4 O21 P6 -","- In4 O21 P6 -","- In16 O84 P24 -","4","1","","Thauern, H.; Glaum, R.","Beitraege zur Kristallchemie und zum thermischen Verhalten von wasserfreien Phosphaten. XXXIII. In2 P2 O7, ein Indium(I)-diphosphato-indat(III) und In4 (P2 O7)3 - Darstellung, Kristallisation und Kristallstrukturen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","479","486","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1535453","10","","7.565","","4.768","","90","","90.31","","90","","360.694","","","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","Fe0.86 (Y1.3 Eu0.7) Be2 (Si O4)2 (O1.72 (O H)0.28)","","- Be2 Eu0.7 Fe0.86 H0.28 O10 Si2 Y1.3 -","- Be2 Eu0.706 Fe0.864 O10 Si2 Y1.294 -","- Be4 Eu1.412 Fe1.728 O20 Si4 Y2.588 -","2","0.5","","Miyawaki, R.; Nakai, I.; Nagashima, K.","A refinement of the crystal structure of gadolinite","American Mineralogist","1984","69","","948","953","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535915","9.54","","10.77","","7.94","","90","","90","","90","","815.802","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Sb O Cl","","- Cl O Sb -","- Cl O Sb -","- Cl12 O12 Sb12 -","12","3","","Edstrand, M.","On the structure of antimony(III) oxidehalides. II. The crystal structure of Sb O Cl","Arkiv foer Kemi","1953","6","","89","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535939","13.8893","","13.0757","","20.0927","","90","","95.199","","90","","3634.07","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","La2 (Mo4 O15)","","- La2 Mo4 O15 -","- La2 Mo4 O15 -","- La24 Mo48 O180 -","12","3","","Naruke, H.; Yamase, T.","Structural investigations of R2 Mo4 O15 (R = La, Nd, Sm) and polymorphs of the R2 Mo4 O15 (R = rare earth) family","Journal of Solid State Chemistry","2003","173","","407","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536334","15.593","","6.229","","11.76","","90","","99.05","","90","","1128.02","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- Cs7 Cu6 F19 -","- Cs7 Cu6 F19 -","- Cs14 Cu12 F38 -","2","0.5","","Kaiser, V.; Babel, D.","Ueber Cs2 Zn Cu3 F10 und die Kristallstruktur von Cs7 Cu6 F19","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","222","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536411","13.013","","8.337","","13.108","","90","","91.54","","90","","1421.56","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Cs3 (P3 O6 S3)","","- Cs3 O6 P3 S3 -","- Cs3 O6 P3 S3 -","- Cs12 O24 P12 S12 -","4","1","","Palkina, K.K.; Chibiskova, N.T.; Maksimova, S.I.; Kuvshinova, T.B.; Pautina, M.S.; Volf, G.U.","Structure of trithiocyclotriphosphates of potassium and cesium.","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1992","28","","1486","1490","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536581","10.13","","11.489","","6.822","","90","","101.2","","90","","778.848","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(C F3) Te Te (C F3)","","- C2 F6 Te2 -","- C2 F6 Te2 -","- C8 F24 Te8 -","4","1","","Dukat, W.; Gall, F.; Mootz, D.; Meyer, C.; Naumann, D.; Schulz, K.; Nowicki, G.","Kristallstruktur von (C F3) Te Te (C F3) - Synthese, Charakterisierung und Eigenschaften von C F3 Te I","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","","617","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536728","55.76999","","5.439","","6.701","","90","","32.75","","90","","1099.6","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Mo.72 W.28)5 O14","","- Mo3.6 O14 W1.4 -","- Mo3.6 O14 W1.4 -","- Mo14.4 O56 W5.6 -","4","1","","Portemer, F.; Sundberg, M.R.; Kihlborg, L.; Figlarz, M.","Homologues of Mo4 O11 (mon) in the Mo-W-O system prepared by soft chemistry","Journal of Solid State Chemistry","1993","103","","403","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536782","8.6154","","10.5991","","9.8293","","90","","105.207","","90","","866.138","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(K (H S O5))2 (K (H S O4)) (K2 (S O4))","","- H3 K5 O18 S4 -","- H3 K5 O18 S4 -","- H6 K10 O36 S8 -","2","0.5","","Ermer, O.; Roebke, C.","Crystal structure and chemical stabilization of the triple salt (K H S O5)2 * (K H S O4) * (K2 S O4)","Helvetica Chimica Acta","2003","86","","2908","2913","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536925","27.7287","","4.97311","","13.93504","","90","","103.732","","90","","1866.68","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(C10 H8 N2)4 (Si12 O26)2","","- C40 H32 N8 O52 Si24 -","- C40 N8 O52 Si24 -","- C40 N8 O52 Si24 -","1","0.25","","Zanardi, S.; Brunelli, M.; Alberti, A.; Fornes, V.; Cruciani, G.; Corma, A.","Crystal Structure Determination of Zeolite Nu-6(2) and Its Layered Precursor Nu-6(1)","Angew. Chem. Int. ed.","2004","43","","4933","4937","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536928","17.2569","","4.9881","","13.8482","","90","","106.091","","90","","1145.34","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","Si O2","","- O2 Si -","- O2 Si -","- O48 Si24 -","24","6","","Zanardi, S.; Fornes, V.; Alberti, A.; Brunelli, M.; Corma, A.; Cruciani, G.","Crystal Structure Determination of Zeolite Nu-6(2) and Its Layered Precursor Nu-6(1)","Angew. Chem. Int. ed.","2004","43","","4933","4937","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537025","9.472","","8.913","","9.891","","90","","104.56","","90","","808.22","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","V2 O3 (S O4)2","","- O11 S2 V2 -","- O11 S2 V2 -","- O44 S8 V8 -","4","1","","Richter, K.; Mattes, R.","Darstellung, Ramanspektren und Kristallstrukturen von V2O3(SO4)2, K(VO(SO4)2) und NH4(VO(SO4)2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","611","","158","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1537055","6.658","","12.579","","6.7026","","90","","106.18","","90","","539.115","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Cs2 P4) (N H3)2","","- Cs2 H6 N2 P4 -","- Cs2 H6 N2 P4 -","- Cs4 H12 N4 P8 -","2","0.5","","Kraus, F.; Aschenbrenner, J.C.; Korber, N.","P4(2-): A 6-pi aromatic polyphosphide in dicesium cyclotetraphosphide-ammonia(1/2)","Angew. Chem. Int. ed.","2003","42","","4030","4033","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537343","18.06","","11.58","","6.99","","90","","114","","90","","1335.47","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N H4)6 Zr2 (O H)2 (C O3)6 (H2 O)3","","- C6 H32 N6 O23 Zr2 -","- C6 N6 O23 Zr2 -","- C12 N12 O46 Zr4 -","2","0.5","","Gorbunova, Yu.E.; Novitskaya, G.N.; Kuznetsov, V.G.","Crystal structure of (N H4)6 (Zr2 (O H)2 (C O3)6) (H2 O)3","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1970","11","","560","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1537402","10.09","","4.64","","4.63","","90","","117","","90","","193.139","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Li2 Pd F6","","- F6 Li2 Pd -","- F6 Li2 Pd -","- F12 Li4 Pd2 -","2","0.5","","Henkel, H.; Hoppe, R.","Neue ternaere Fluoride des Palladiums qnb Platins","Zeitschrift fuer Anorganische und Allgemeine Chemie","1968","359","","160","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537403","10.23","","4.68","","4.65","","90","","117","","90","","198.361","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Li2 Pt F6","","- F6 Li2 Pt -","- F6 Li2 Pt -","- F12 Li4 Pt2 -","2","0.5","","Henkel, H.","Neue ternaere Fluoride des Palladiums und Platins","Zeitschrift fuer Anorganische und Allgemeine Chemie","1968","359","","160","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537418","12.47","","10.01","","5.42","","90","","99.83","","90","","666.617","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","Ru F5","","- F5 Ru -","- F5 Ru -","- F40 Ru8 -","8","2","","Holloway, J.H.; Peacock, R.D.; Small, R.W.H.","The crystal structure of ruthenium pentafluoride","Journal of the Chemical Society","1964","1964","","644","648","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537512","11.244","","12.875","","10.504","","90","","96.061","","90","","1512.13","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ru N O O H (N O2)2 (N H3)2","","- H7 N5 O6 Ru -","- H7 N5 O6 Ru -","- H56 N40 O48 Ru8 -","8","2","","Khodashova, T.S.; Porai-Koshits, M.A.; Sergienko, V.S.","X-Ray Structure Determination for Crystals of Dinitrohydroxonitrosodiammineruthenium","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1971","12","","478","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1537668","10.47","","8.41","","6.59","","90","","103.83","","90","","563.445","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K2 (U O2)2 (V O4)2","","- K2 O12 U2 V2 -","- K2 O12 U2 V2 -","- K4 O24 U4 V4 -","2","0.5","","Appleman, D.E.; Evans, H.T.jr.","The crystal structures of synthetic anhydrous carnotite, K2 (U O2)2 V2 O8, and its cesium analogue, Cs2 (U O2)2 V O8","American Mineralogist","1965","50","","825","842","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1538346","8.42","","4.21","","8.482","","90","","90","","90","","300.672","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- Ce Se2 -","- Ce Se2 -","- Ce4 Se8 -","4","1","","Marcon, J.P.; Pascard, R.","Structure cristalline du polyseleniure de cerium.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","266","","270","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538403","7.99","","6","","5.45","","90","","95.2","","90","","260.198","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Pt Cl2 (N H3)2","","- Cl2 H6 N2 Pt -","- Cl2 H6 N2 Pt -","- Cl4 H12 N4 Pt2 -","2","0.5","","Milburn, G.H.W.; Truter, M.R.","The Crystal Structures of cis- and trans-Dichlorodiammineplatinum(II)","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1966","1966","","1609","1616","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1539737","9.13","","12.32","","6.25","","90","","107","","90","","672.292","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N D4)2 V (S O4)2 (D2 O)6","","- D20 N2 O14 S2 V -","- D20 N2 O14 S2 V -","- D40 N4 O28 S4 V2 -","2","0.5","","Deeth, R.J.; Kucharski, E.S.; Figgis, B.N.; Forsyth, J.B.; Reynolds, P.A.","Structures of (ND4)2V(SO4)2(D2O)6 and (ND4)2 V.45Zn.55(SO4)2(D2O)6 at 5.8 K by neutron diffraction","Australian Journal of Chemistry","1988","41","","1289","1294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539741","9.14","","12.32","","6.25","","90","","107","","90","","673.028","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","(N D4)2 (V.45 Zn.55) (S O4)2 (D2 O)6","","- D20 N2 O14 S2 V0.45 Zn0.55 -","- D20 N2 O14 S2 V0.45 Zn0.55 -","- D40 N4 O28 S4 V0.9 Zn1.1 -","2","0.5","","Deeth, R.J.; Figgis, B.N.; Forsyth, J.B.; Kucharski, E.S.; Reynolds, P.A.","Structures of (ND4)2V(SO4)2(D2O)6 and (ND4)2 V.45Zn.55(SO4)2(D2O)6 at 5.8 K by neutron diffraction","Australian Journal of Chemistry","1988","41","","1289","1294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1539940","5.65","","16.21","","6.13","","90","","94.3","","90","","559.845","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Pb N2 S2 (N H3)","","- H3 N3 Pb S2 -","- H3 N3 Pb S2 -","- H12 N12 Pb4 S8 -","4","1","","Weiss, J.","Zur Struktur von Pb N2 S2 (N H3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1966","343","","315","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1539941","8.43","","13.4","","12.55","","90","","90.75","","90","","1417.55","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ni (H N2 S2)2","","- H2 N4 Ni S4 -","- N4 Ni S4 -","- N32 Ni8 S32 -","8","2","","Weiss, J.; Thewalt, U.","Die Struktur von (Ni (H N2 S2)2) und (Pd (H N2 S2)2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1968","363","","159","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539942","7.32","","12.58","","8.74","","90","","113.1","","90","","740.298","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Pd (H N2 S2)2","","- H2 N4 Pd S4 -","- N4 Pd S4 -","- N16 Pd4 S16 -","4","1","","Weiss, J.; Thewalt, U.","Die Struktur von (Ni (H N2 S2)2) und (Pd (H N2 S2)2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1968","363","","159","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541079","9.574","","7.096","","13.637","","90","","100.95","","90","","909.591","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Er H (P O3)4","","- Er H O12 P4 -","- Er H O12 P4 -","- Er4 H4 O48 P16 -","4","1","","Palkina, K.K.; Chudinova, N.N.; Balagina, G.M.; Maksimova, S.I.; Chibiskova, N.T.","Synthesis of acid polyphosphates of rare-earth metals and the structure of Er H (P O3)4","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1982","18","","1561","1566","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541188","13.535","","13.638","","13.421","","90","","90.49","","90","","2477.3","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","K (I3 F16)","","- F16 I3 K -","- F16 I3 K -","- F128 I24 K8 -","8","2","","Mahjoub, A.R.; Hoser, A.; Fuchs, J.; Seppelt, K.","Die Struktur von Br F6(-) und verwandten Verbindungen","Angewandte Chemie (German Edition)","1989","101","","1528","1529","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541367","13.648","","15.591","","10.889","","90","","94.21","","90","","2310.77","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K4 (H2 Mo5 P2 O21) (H2 O)2","","- H6 K4 Mo5 O23 P2 -","- K4 Mo5 O23 P2 -","- K16 Mo20 O92 P8 -","4","1","","Ozeki, Tomoji; Ichida, Hikaru; Miyamae, Hiroshi; Sasaki, Yukiyoshi","Crystal structure of K~4~[H~2~P~2~Mo~5~O~21~]·2H~2~O","Bulletin of the Chemical Society of Japan","1988","61","12","4455","4457","10.1246/bcsj.61.4455","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541725","16.34","","9.55","","18.76","","90","","125","","90","","2398.02","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","In2 (Mo O4)3","","- In2 Mo3 O12 -","- In2 Mo3 O12 -","- In16 Mo24 O96 -","8","2","","Plyasova, L.M.; Klevtsova, R.F.; Kefeli, L.M.; Borisov, S.V.","An X-ray study of In2 (Mo O4)3","Kristallografiya","1968","13","","38","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541763","10.86","","9.59","","13.83","","90","","96.17","","90","","1432.02","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Al (N O3)3 (H2 O)9","","- Al H18 N3 O18 -","- Al N3 O18 -","- Al4 N12 O72 -","4","1","","Herpin, P.; Sudarsanan, K.","Structure cristalline de nitrate d'aluminium hydrate","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1965","88","","595","601","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541855","13.12","","22.58","","5.88","","90","","90","","90","","1741.95","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","C S (H S)2","","- C H2 S3 -","- C S3 -","- C16 S48 -","16","4","","Krebs, B.; Gattow, G.","Das Kohlenstoffsulfid-bis-(hydrogensulfid) S C (S H)2 und das System H2 S - C S2. 6. Die Kristallstruktur der Trithiokohlensaeure bei -100 C","Zeitschrift fuer Anorganische und Allgemeine Chemie","1965","340","","294","311","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541870","9.27","","12.39","","6.22","","90","","105.6","","90","","688.083","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tl2 Cu (H2 O)6 (S O4)2","","- Cu H12 O14 S2 Tl2 -","- Cu H12 O14 S2 Tl2 -","- Cu2 H24 O28 S4 Tl4 -","2","0.5","","Shields, K.G.; van der Zee, J.J.; Kennard, C.H.L.","Thallium hexaaquacopper(II) sulfate, Cu H12 O14 S2 Tl2 (neutron)","Crystal Structure Communications","1972","1","","371","373","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541871","9.42","","12.785","","6.28","","90","","105.9","","90","","727.394","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Cs2 (Cu (H2 O)6) (S O4)2","","- Cs2 Cu H12 O14 S2 -","- Cs2 Cu H12 O14 S2 -","- Cs4 Cu2 H24 O28 S4 -","2","0.5","","Shields, K.G.; Kennard, C.H.L.","Cesium hexa-aquacopper(II) sulfate, Cs2 Cu H12 O14 S2 (neutron)","Crystal Structure Communications","1972","1","","189","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542049","16.23","","8.57","","6.31","","90","","90","","90","","877.665","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- H N O3 -","- N O3 -","- N16 O48 -","16","4","","Luzzati, V.","Structure cristalline de l'acide nitrique anhydre.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1949","229","","1349","1351","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542104","9.08","","9.58","","8.58","","90","","90","","90","","746.343","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ba (Al2 Si2 O8)","","- Al2 Ba O8 Si2 -","- Al2 Ba O8 Si2 -","- Al8 Ba4 O32 Si8 -","4","1","","Bakakin, V.V.; Belov, N.V.","Crystal structure of paracelsian","Kristallografiya","1960","5","","864","868","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542120","12.26","","4.8","","8.08","","90","","104.3","","90","","460.759","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Na2 (Si2 O5)","","- Na2 O5 Si2 -","- Na2 O5 Si2 -","- Na8 O20 Si8 -","4","1","","Grund, A.","La structure cristalline du disilicate de soude beta-Na2 Si2 O5","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1954","77","","775","785","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1542664","16.58","0.006","10.731","0.004","17.82","0.007","90","","104.369","0.005","90","","3071","2","296","2","296.15","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H36 N O9 P S -","- C29 H36 N O9 P S -","- C116 H144 N4 O36 P4 S4 -","4","1","","Jiang, Jin; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Diethyl Phosphite Initiated Coupling of α-Ketoesters with Imines for Synthesis of α-Phosphonyloxy-β-amino Acid Derivatives and Aziridine-2-carboxylates.","Organic letters","2016","18","4","880","883","10.1021/acs.orglett.6b00273","","","0.71073","MoKα","","0.0989","0.0513","","","0.119","0.1441","","","","","","1.03","","","","has coordinates","177314","2020-10-21","18:00:00",""
"1543270","13.8715","0.0006","5.5938","0.0002","17.2693","0.001","90","","113.43","0.0014","90","","1229.51","0.1","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","5,10-dimethyl-5,10-dihydroindolo[3,2-b]indole",";Indoloindole;","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Ho, Hon Eong; Oniwa, Kazuaki; Yamamoto, Yoshinori; Jin, Tienan","N-Methyl Transfer Induced Copper-Mediated Oxidative Diamination of Alkynes.","Organic letters","2016","18","10","2487","2490","10.1021/acs.orglett.6b01067","","","0.71075","MoKα","","0.0754","0.0588","","","0.1768","0.1908","","","","","","1.067","","","","has coordinates","184958","2020-10-21","18:00:00",""
"1543493","24.4","0.001","14.864","0.001","17.233","0.001","90","","108.543","0.003","90","","5925.6","0.6","100","","100","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C194 H92 Cl4 Li2 N8 Ni2 -","- C193.996 H91.9936 Cl3.992 Li2 N8 Ni2 -","- C387.992 H183.987 Cl7.984 Li4 N16 Ni4 -","2","0.5","","Ueno, Hiroshi; Aoyagi, Shinobu; Yamazaki, Yu; Ohkubo, Kei; Ikuma, Naohiko; Okada, Hiroshi; Kato, Tatsuhisa; Matsuo, Yutaka; Fukuzumi, Shunichi; Kokubo, Ken","Electrochemical reduction of cationic Li+@C60to neutral Li+@C60˙−: isolation and characterisation of endohedral [60]fulleride","Chem. Sci.","2016","7","9","5770","","10.1039/C6SC01209D","","","0.41286","synchrotron","","0.0624","0.0611","","","0.155","0.1569","","","","","","0.964","","","","has coordinates","186337","2020-10-21","18:00:00",""
"1543504","18.28","0.014","5.493","0.004","18.298","0.014","90","","96.02","0.006","90","","1827","2","93","","93","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4'-(3,4-Dimethoxyphenyl)-2,2':6',2''-terpyridine","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C92 H76 N12 O8 -","4","1","","Takase, Tsugiko; Soga, Yuka; Oyama, Dai","4'-(3,4-Dimethoxyphenyl)-2,2':6',2''-terpyridine","IUCrData","2016","1","6","x160950","","10.1107/S2414314616009500","","","0.71075","MoKα","","","0.0998","","","","0.2237","","","","","","1.144","","","","has coordinates,has Fobs","183850","2020-10-21","18:00:00",""
"1543839","11.642","0.0019","30.056","0.005","11.989","0.002","90","","105.322","0.003","90","","4046","1.2","90","2","90","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","p-EtOcorrole","5,10,15-Tris(4-ethoxy-2,3,5,6-tetrafluorophenyl)-21,22-dimethylcorrole","","- C45.2 H30.81 F12 N4 O3.2 -","- C45.202 H30.808 F12 N4 O3.202 -","- C180.808 H123.232 F48 N16 O12.808 -","4","1","","Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu","Doubly N-Methylated Porphyrinoids.","Organic letters","2016","18","12","3006","3009","10.1021/acs.orglett.6b01377","","","0.78203","Synchrotron","","0.1172","0.0668","","","0.1493","0.1973","","","","","","1.107","","","","has coordinates","184917","2020-10-21","18:00:00",""
"1544050","6.8224","0.0005","21.8495","0.0015","7.2677","0.0006","90","","92.233","0.002","90","","1082.54","0.14","294","2","294","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C8 H10 O7 Sr -","- C8 H10 O7 Sr -","- C32 H40 O28 Sr4 -","4","1","","Mohamed Ghazzali; Miftahul Khair; Khalid Al-Farhan; Jan Reedijk","Synthesis, structure and characterisation of (mu-aqua)(diaqua)(mu3-benzene-dicarboxylate-ketaO1,O2)strontium(II) coordination polymer","Inorganica Chimica Acta","2014","","","503","506","10.1016/j.ica.2013.09.041","","","0.71075","MoKα","","0.1052","0.0731","","","0.1731","0.1951","","","","","","1.038","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544067","12.3916","0.0007","9.7149","0.0005","13.2453","0.001","90","","94.592","0.006","90","","1589.39","0.17","300.05","0.1","300.05","0.1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H20 N6 -","- C16 H20 N6 -","- C64 H80 N24 -","4","1","","Kroon, Edwin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Cleavable β-Cyanoethyl Isocyanide in the Ugi Tetrazole Reaction.","Organic letters","2016","18","19","4762","4765","10.1021/acs.orglett.6b01826","","","0.7107","MoKα","","0.1844","0.0821","","","0.1803","0.2405","","","","","","0.979","","","","has coordinates","187978","2020-10-21","18:00:00",""
"1544389","8.096","0.002","10.242","0.002","8.106","0.002","90","","104.73","0.03","90","","650.1","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","alpha-Li4Zn(PO4)2","","","- Li4 O8 P2 Zn -","- Li4 O8 P2 Zn -","- Li16 O32 P8 Zn4 -","4","1","","Jensen, T.R.; Hazell, R.G.; Christensen, Norlund, A.; Hanson, J.C.","Hydrothermal synthesis of lithium zinc phosphates: structural investigation of twinned alpha-Li4Zn(PO4)2 and a high temperature polymorph beta-Li4Zn(PO4)2","Journal of Solid State Chemistry","2002","166","","341","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","187652","2020-10-21","18:00:00",""
"1544509","12.938","0.005","6.834","0.003","9.1","0.002","90","","88.12","0.02","90","","804.2","0.5","","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","HoPSO9H8NC","","","- C H8 Ho N O9 P S -","- C Ho N O9 P S -","- C4 Ho4 N4 O36 P4 S4 -","4","1","","Kumada, N.; Kumon, J.; Miyagawa, K.; Yonesaki, Y.; Takei, T.; Kinomura, N.; Wang, D.; Yu, R.","Preparation and crystal structure of [enH2]0.5[Ho(HPO4)(SO4)(H2O)] (en; ethylenediamine)","Journal of the Ceramic Society of Japan","2010","118","","236","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","187938","2020-10-21","18:00:00",""
"1544821","9.2491","0.0005","18.1423","0.001","14.3719","0.0007","90","","96.61","0.003","90","","2395.6","0.2","296","2","296.15","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(<i>Z</i>)-3-(4-Methylbenzylidene)-4-oxopentanoic acid","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","2","SJ4079","Boukharsa, Youness; Abba Touré, Hamadoun; Taoufik, Jamal; Benzeid, Hanane; Ansar, M'hammed","(<i>Z</i>)-3-(4-Methylbenzylidene)-4-oxopentanoic acid","IUCrData","2016","1","12","x162003","","10.1107/S2414314616020034","","","0.71073","MoKα","","0.078","0.0512","","","0.1525","0.1738","","","","","","1.05","","","","has coordinates,has Fobs","189284","2020-10-21","18:00:00",""
"1545211","11.5604","0.0003","7.8775","0.0002","15.7761","0.0005","90","","92.698","0.003","90","","1435.09","0.07","130","0.1","130","0.1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H19 N5 O -","- C14 H19 N5 O -","- C56 H76 N20 O4 -","4","1","","Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","De Novo Assembly of Highly Substituted Morpholines and Piperazines.","Organic letters","2017","19","3","642","645","10.1021/acs.orglett.6b03807","","","0.71073","MoKα","","0.0485","0.0446","","","0.1238","0.1268","","","","","","1.096","","","","has coordinates","191303","2020-10-21","18:00:00",""
"1545487","9.44","0.006","14.6051","0.0015","12.321","0.002","90","","105.68","0.03","90","","1635.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-(5-Methylbenzofuran-3-yl)-N-phenethylacetamide","2-(5-Methyl-1-benzofuran-3-yl)-<i>N</i>-(2-phenylethyl)acetamide","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","SJ4086","Ramprasad, N.; Gowda, K. V. Arjuna; Gowda, Ramakrishna; Basanagouda, Mahantesha; Kantharaj, K. S.; Gowda, G. V. Jagadeesha","2-(5-Methyl-1-benzofuran-3-yl)-<i>N</i>-(2-phenylethyl)acetamide","IUCrData","2017","2","2","x170200","","10.1107/S2414314617002000","","","1.5418","CuKα","","0.1166","0.0625","","","0.1393","0.1685","","","","","","1.043","","","","has coordinates,has Fobs","193949","2020-10-21","18:00:00",""
"1545666","14.2946","0.0013","14.013","0.001","15.2327","0.0011","90","","104.76","0.003","90","","2950.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","p-xyBF2","","","- C17 H15 B F2 O2 -","- C17 H15 B F2 O2 -","- C136 H120 B8 F16 O16 -","8","2","","Tanaka, Mirai; Muraoka, Shunsuke; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Mizuno, Kazuhiko; Ikeda, Hiroshi","Cooperative Effects of o- and m-Methyl Groups on the Intramolecular Charge-Transfer Emission Properties of Dibenzoylmethanatoboron Difluorides","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00005G","","","0.71075","MoKα","","0.126","0.0583","","","0.1484","0.1931","","","","","","0.876","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545874","8.9922","0.0004","9.6614","0.0005","10.2093","0.0005","90","","105.422","0.001","90","","855.02","0.07","113","","113","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","Li[C2C1im][N(SO2F)2]2","lithium 1-ethyl-3-methylimidazolium bis(fluorosulfonyl)amide","","- C6 H11 F4 Li N4 O8 S4 -","- C6 H11 F4 Li N4 O8 S4 -","- C12 H22 F8 Li2 N8 O16 S8 -","2","0.5","","Matsumoto, Kazuhiko; Nishiwaki, Erisa; Hosokawa, Takafumi; Tawa, Shinya; Nohira, Toshiyuki; Hagiwara, Rika","Thermal, Physical, and Electrochemical Properties of Li[N(SO2F)2]-[1-Ethyl-3-methylimidazolium][N(SO2F)2] Ionic Liquid Electrolytes for Li Secondary Batteries Operated at Room and Intermediate Temperatures","The Journal of Physical Chemistry C","2017","121","17","9209","","10.1021/acs.jpcc.7b02296","","","0.71073","MoKα","","0.0325","0.0305","","","0.0856","0.0867","","","","","","1.13","","","","has coordinates,has disorder","196160","2020-10-21","18:00:00",""
"1546163","13.849","0.004","18.445","0.007","8.901","0.003","90","","100.56","0.02","90","","2235.2","1.3","153","","153","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 Br2 Mn N2 O6 Re -","- C20 H20 Br2 Mn N2 O6 Re -","- C80 H80 Br8 Mn4 N8 O24 Re4 -","4","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71069","MoKα","","","0.0342","","","","0.1052","","","","","","1.047","","","","has coordinates","197107","2020-10-21","18:00:00",""
"1546403","8.481","0.007","9.473","0.006","6.473","0.004","90","","100.51","0.06","90","","511.3","0.6","","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- F3 H6 Mn O3 -","- F3 H6 Mn O3 -","- F12 H24 Mn4 O12 -","4","1","","Molinier, Michel; Massa, Werner","Structures of two polymorphs of MnF3.3H2O","Journal of Fluorine Chemistry","1992","57","","139","146","","","x-ray","0.71069","MoKα","","","0.0303","","","0.0291","","","","","","","","","","","has coordinates","198166","2020-10-21","18:00:00",""
"1546616","11.5361","0.0003","7.8544","0.0003","15.7254","0.0005","90","","93.296","0.003","90","","1422.51","0.08","120","0.1","120","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H16 Cl N5 O -","- C13 H16 Cl N5 O -","- C52 H64 Cl4 N20 O4 -","4","1","","Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","De Novo Assembly of Highly Substituted Morpholines and Piperazines.","Organic letters","2017","19","3","642","645","10.1021/acs.orglett.6b03807","","","1.54184","CuKα","","0.0493","0.0421","","","0.111","0.1185","","","","","","1.038","","","","has coordinates","199597","2020-10-21","18:00:00",""
"1547179","14.4154","0.0006","6.024","0.0002","15.0935","0.0006","90","","94.616","0.007","90","","1306.44","0.09","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","MePyNaph","3-methyl-N-(naphthalen-1-yl)picolinamide","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Sato, Takenari; Yoshida, Takumi; Al Mamari, Hamad H.; Ilies, Laurean; Nakamura, Eiichi","Manganese-Catalyzed Directed Methylation of C(sp(2))-H Bonds at 25 °C with High Catalytic Turnover.","Organic letters","2017","19","19","5458","5461","10.1021/acs.orglett.7b02778","","","1.54187","CuKα","","0.0846","0.0517","","","0.1215","0.137","","","","","","1.04","","","","has coordinates","202792","2020-10-21","18:00:00",""
"1547245","19.372","0.0007","9.652","0.0004","20.395","0.001","90","","116.015","0.002","90","","3427","0.3","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C35 H56 N2 O4 Ti -","- C35 H56 N2 O4 Ti -","- C140 H224 N8 O16 Ti4 -","4","1","","Stuart L Hancock; Mary F. Mahon; Matthew D. Jones","Monomeric Ti(IV) Homopiperazine Complexes and their Exploitation for the Ring Opening Polymerisation of rac-Lactide","Chemistry Central Journal","2013","7","","135","","10.1186/1752-153X-7-135","","","0.71073","MoKα","","0.1272","0.0837","","","0.196","0.2254","","","","","","1.079","","","","has coordinates","201064","2020-10-21","18:00:00",""
"1547272","8.3072","0.0011","13.5441","0.0019","17.41","0.002","90","","92.275","0.012","90","","1957.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-(10-Hexyl-10H-phenothiazin-3-ylmethylene)-malononitrile","2-(10-Hexyl-10H-phenothiazin-3-ylmethylene)-malononitrile","","- C22 H21 N3 S -","- C22 H21 N3 S -","- C88 H84 N12 S4 -","4","1","","Fatimah Ali Al-Zahrani; Muhammad Nadeem Arshad; Abdullah M. Asiri; Tariq Mahmood; Mazhar Amjad Gilani; Reda M. El-shishtawy","Synthesis and structural properties of 2-((10-alkyl-10H-phenothiazin-3-yl)methylene)malononitrile derivatives; a combined experimental and theoretical insight","Chemistry Central Journal","2016","10","","13","","10.1186/s13065-016-0158-z","","","0.71073","MoKα","","0.2559","0.0659","","","0.1162","0.1809","","","","","","0.837","","","","has coordinates","201104","2020-10-21","18:00:00",""
"1547622","13.476","0.003","18.301","0.003","25.301","0.005","90","","103.474","0.006","90","","6068","2","93","2","93","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C65 H60 Cl4 N5 O P Pd S2 -","- C65 H60 Cl4 N5 O P Pd S2 -","- C260 H240 Cl16 N20 O4 P4 Pd4 S8 -","4","1","","Osuka, Atsuhiro; Fujimoto, Keisuke","Effective stabilization of a planar phosphorus(III) center embedded in a porphyrin-based fused aromatic skeleton","Chem. Sci.","2017","","","","","10.1039/C7SC03882H","","","1.54187","CuKα","","0.0696","0.0613","","","0.1726","0.1789","","","","","","1.037","","","","has coordinates,has disorder","201841","2020-10-21","18:00:00",""
"1548054","7.379","0.006","22.716","0.016","9.381","0.007","90","","111.14","0.02","90","","1466.6","1.9","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","1","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","0.71073","MoKα","","0.1219","0.1217","","","0.3147","0.3149","","","","","","1.838","","","","has coordinates","228727","2020-10-21","18:00:00",""
"1548055","8.5137","0.0002","21.963","0.0006","9.8776","0.0003","90","","104.406","0.0017","90","","1788.9","0.09","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","1","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","1.54187","CuKα","","0.0403","0.036","","","0.1242","0.1303","","","","","","1.12","","","","has coordinates","228727","2020-10-21","18:00:00",""
"1548296","10.165","0.006","7.482","0.004","10.278","0.006","90","","110.446","0.009","90","","732.4","0.7","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H24 B2 O4 -","- C12 H24 B2 O4 -","- C24 H48 B4 O8 -","2","0.5","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0817","0.0551","","","0.1161","0.1299","","","","","","1.086","","","","has coordinates,has disorder","203758","2020-10-21","18:00:00",""
"1548427","17.6","0.002","19.466","0.002","20.232","0.003","90","","96.305","0.002","90","","6889.6","1.5","93","2","93","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C38 H48 B2 N2 O2 -","- C38 H48 B2 N2 O2 -","- C304 H384 B16 N16 O16 -","8","2","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0994","0.0749","","","0.1645","0.1804","","","","","","1.128","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548435","15.319","0.002","13.7912","0.0018","17.481","0.003","90","","112.051","0.002","90","","3423","0.9","93.15","","93","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C37 H47 B2 N3 O2 -","- C37 H47 B2 N3 O2 -","- C148 H188 B8 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0847","0.0603","","","0.1402","0.1588","","","","","","1.032","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548840","12.8152","0.0003","6.29489","0.00013","18.9482","0.0004","90","","108.347","0.0012","90","","1450.85","0.06","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","α-<i>D</i>,<i>L</i>-Sorbose","","- C6 H12 O6 -","- C6 H12 O6 -","- C48 H96 O48 -","8","2","IS4024","Taguchi, Hiroaki; Sogo, Kouta; Ishii, Tomohiko; Yoshihara, Akihide; Fukada, Kazuhiro","α-<small>D</small>,<small>L</small>-Sorbose","IUCrData","2018","3","1","x180114","","10.1107/S2414314618001141","","","1.54187","CuKα","","0.0541","0.0442","","","0.1128","0.1203","","","","","","1.08","","","","has coordinates,has Fobs","206011","2020-10-21","18:00:00",""
"1548854","10.7685","0.0017","14.2394","0.0019","16.386","0.003","90","","108.759","0.0019","90","","2379.1","0.7","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H30 N2 O2 S2 -","- C25 H30 N2 O2 S2 -","- C100 H120 N8 O8 S8 -","4","1","","Suzuki, Naoya; Suda, Kayo; Yokogawa, Daisuke; Kitoh-Nishioka, Hirotaka; Irle, Stephan; Ando, Akihiro; Abegão, Luis M G; Kamada, Kenji; Fukazawa, Aiko; Yamaguchi, Shigehiro","Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold.","Chemical science","2018","9","10","2666","2673","10.1039/c8sc00066b","","","0.71075","MoKα","","0.0388","0.0342","","","0.0832","0.0865","","","","","","1.023","","","","has coordinates","228638","2020-10-21","18:00:00",""
"1548951","13.5173","0.0003","5.57303","0.00015","27.4909","0.0009","90","","90.469","0.002","90","","2070.88","0.1","125","","125","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H14 F2 O -","- C12 H14 F2 O -","- C96 H112 F16 O8 -","8","2","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.1345","0.1282","","","0.4485","0.4562","","","","","","2.205","","","","has coordinates","228853","2020-10-21","18:00:00",""
"1549701","9.6998","0.0006","20.0864","0.0013","13.8561","0.0009","90","","107.551","0.0015","90","","2574","0.3","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C34 H30 Cl N O -","- C34 H30 Cl N O -","- C136 H120 Cl4 N4 O4 -","4","1","","Kuramoto, Yutaro; Nakagiri, Takanobu; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Ikeda, Hiroshi","A leaning amine-ketone dyad with a nonconjugated linker: solvatofluorochromism and dual fluorescence associated with intramolecular charge transfer.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","9","1157","1168","10.1039/c7pp00453b","","","0.71075","MoKα","","0.1372","0.078","","","0.2213","0.2827","","","","","","1.144","","","","has coordinates","230897","2020-10-21","18:00:00",""
"1551044","10.179","0.002","15.499","0.004","15.438","0.004","90","","107.261","0.003","90","","2325.9","1","183","2","183","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H24 B2 Mn N4 S2 -","- C20 H24 B2 Mn N4 S2 -","- C80 H96 B8 Mn4 N16 S8 -","4","1","","Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi","Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation","Chemical Science","2019","","","","","10.1039/C9SC00731H","","","0.71075","MoKα","","0.074","0.0529","","","0.1092","0.1204","","","","","","1.058","","","","has coordinates","215123","2020-10-21","18:00:00",""
"1551194","8.6061","0.0002","7.582","0.0001","7.7252","0.0002","90","","105.88","0.0011","90","","484.843","0.018","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Barium oxidotellurate(IV) monohydrate","","- Ba H2 O4 Te -","- Ba H2 O4 Te -","- Ba4 H8 O16 Te4 -","4","1","HB4298","Weil, Matthias","Redetermination of the crystal structure of BaTeO3(H2O), including the localization of the hydrogen atoms","IUCrData","2019","4","5","","","10.1107/S2414314619007703","","","0.71069","MoKα","","0.029","0.0199","","","0.0388","0.0415","","","","","","1.006","","","","has coordinates,has Fobs","215655","2020-10-21","18:00:00",""
"1551225","13.4193","0.0006","41.433","0.002","14.2634","0.0007","90","","111.803","0.003","90","","7363.2","0.6","200","2","200","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C122 H170 Cl2 N30 Ni3 O38 Ru4 -","- C122 H170 Cl2 N30 Ni3 O38 Ru4 -","- C244 H340 Cl4 N60 Ni6 O76 Ru8 -","2","0.5","","Marinescu, Gabriela; Madalan, Augustin M.; Maxim, Catalin; Shova, Sergiu; Clérac, Rodolphe; Andruh, Marius","Heterometallic 3d-4d coordination polymers assembled from trans-[Ru<sup>III</sup>(L)(CN)<sub>2</sub>]<sup>-</sup> tectons and 3d cations.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15455","15464","10.1039/c9dt01593k","","","0.71073","MoKα","","0.1896","0.0648","","","0.1065","0.147","","","","","","0.884","","","","has coordinates,has disorder","223896","2020-10-21","18:00:00",""
"1551535","21.678","0.003","16.3791","0.0016","22.447","0.003","90","","111.522","0.002","90","","7414.5","1.6","93","","93","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","(C32H40N6)Fe2(OH)2(BPh4)2(Me2CO)1.2(Et2O)0.5","","","- C85.6 H94.2 B2 Fe2 N6 O3.7 -","- C85.6 H94.2 B2 Fe2 N6 O3.7 -","- C342.4 H376.8 B8 Fe8 N24 O14.8 -","4","1","","SEKINO, Mio; FURUTACHI, Hideki; TASAKI, Kyosuke; ISHIKAWA, Takanao; FUJINAMI, Shuhei; AKINE, Shigehisa; SAKATA, Yoko; SUZUKI, Masatatsu; NOMURA, Takashi; OGURA, Takashi; KITAGAWA, Teizo","Crystal Structure of Bis(μ-hydroxo)diiron(II) Complex with a Dinucleating Ligand Having a Butyl Linker","X-ray Structure Analysis Online","2019","35","0","5","","10.2116/xraystruct.35.5","","","0.71073","MoKα","","0.0546","0.0474","","","0.1191","0.1274","","","","","","1.067","","","","has coordinates,has disorder","216145","2020-10-21","18:00:00",""
"1551542","16.718","0.004","12.216","0.003","16.184","0.004","90","","99","0.006","90","","3264.5","1.4","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C40 H33 F3 N2 O -","- C40 H33 F3 N2 O -","- C160 H132 F12 N8 O4 -","4","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.117","0.0699","","","0.1675","0.2285","","","","","","1.085","","","","has coordinates,has disorder","288183","2023-12-08","14:42:52",""
"1551705","25.4238","0.0014","6.9922","0.0005","15.1311","0.0008","90","","92.335","0.005","90","","2687.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Diphenylamine-picric acid(1/2)","","- C24 H15 N7 O14 -","- C24 H15 N7 O14 -","- C96 H60 N28 O56 -","4","1","","KAPOOR, Kamini; GUPTA, Vivek K.; VELMURUGAN, R.; SEKAR, M.","Cocrystallization of Diphenylamine and Picric acid (1:2)","X-ray Structure Analysis Online","2012","28","","31","","10.2116/xraystruct.28.31","","","0.71073","MoKα","","0.1345","0.077","","","0.2218","0.2833","","","","","","1.026","","","","has coordinates","216317","2020-10-21","18:00:00",""
"1551753","15.7058","0.0006","14.8399","0.001","16.3334","0.0009","90","","117.778","0.004","90","","3368.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C38.25 H40.5 Cl0.5 O6 -","- C38.25 H40 Cl0.5 O6 -","- C153 H160 Cl2 O24 -","4","1","","MEDDEB-LIMEM, Sondes; BESBES-HENTATI, Salma; SAID, Hechmi; MALÉZIEUX, Bernard; CHAMOREAU, Lise. Marie.; BOUVET, Marcel","Electrosynthesis and Structural Studies of 5,17-Di-tert-butyl-26,28-dimethoxycalix[4]arene-25,27-diquinone","X-ray Structure Analysis Online","2010","26","","29","","10.2116/xraystruct.26.29","","","0.71073","MoKα","","0.1967","0.0756","","","0.1925","0.2442","","","","","","1.037","","","","has coordinates","216365","2020-10-21","18:00:00",""
"1551797","10.105","0.002","20.061","0.003","11.213","0.003","90","","107.83","0.02","90","","2163.9","0.8","125","","125","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H23 N7 O6 -","- C20 H23 N7 O6 -","- C80 H92 N28 O24 -","4","1","","BANERT, Klaus; SCHUMANN, Patrick; RÜFFER, Tobias; LANG, Heinrich","Synthesis and Crystal Structure of 10,20-Dimethyl-15-oxa-1,3,6,8,9,21-hexaazapentacyclo[15.3.1.16,9.13,21.08,13]tricosa-11,18-diene-2,7,14,22,23-pentaone","X-ray Structure Analysis Online","2009","25","","9","","10.2116/xraystruct.25.9","","","1.54184","CuKα","","0.0327","0.031","","","0.078","0.0791","","","","","","1.067","","","","has coordinates","216409","2020-10-21","18:00:00",""
"1552536","8.191","0.003","35.062","0.011","11.513","0.003","90","","107.607","0.005","90","","3151.6","1.7","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C44 H41 Cl0 N3 -","- C44 H41 N3 -","- C176 H164 N12 -","4","1","","Matsuo, Yusuke; Chen, Fengkun; Kise, Koki; Tanaka, Takayuki; Osuka, Atsuhiro","Facile synthesis of fluorescent hetero[8]circulene analogues with tunable solubilities and optical properties","Chemical Science","2019","","","","","10.1039/C9SC05087F","","","1.54187","CuKα","","0.0724","0.061","","","0.17","0.1769","","","","","","1.033","","","","has coordinates","220577","2020-10-21","18:00:00",""
"1552780","15.29","0.003","6.5298","0.0014","27.551","0.006","90","","105.054","0.013","90","","2656.3","1","173.1","","173.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","2","","KUBO, Kanji; MATSUMOTO, Taisuke; TAKECHI, Haruko","Crystal Structure of 7-(Dimethylamino)-3-phenylcoumarin","X-ray Structure Analysis Online","2019","35","0","47","","10.2116/xraystruct.35.47","","","1.54187","CuKα","","","0.0591","","","","0.1864","","","","","","1.101","","","","has coordinates","225378","2020-10-21","18:00:00",""
"1553242","14.388","","6.189","","20.392","","90","","98.16","","90","","1797.47","","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Cinnamaldimine","S1","","- C18 H27 Cl N2 O -","- C18 H27 Cl N2 O -","- C72 H108 Cl4 N8 O4 -","4","1","","Jiménez-Sánchez, Arturo; Santillan, Rosa","A photochromic-acidochromic HCl fluorescent probe. An unexpected chloride-directed recognition.","The Analyst","2016","141","13","4108","4120","10.1039/c6an00509h","","","0.71073","MoKα","","0.0897","0.0552","","","0.1192","0.1364","","","","","","1.041","","","","has coordinates","233974","2020-10-21","18:00:00",""
"1553406","12.411","0.005","21.348","0.008","12.558","0.005","90","","117.284","0.006","90","","2957","2","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C34 H37 Cl N2 O8 -","- C34 H37 Cl N2 O8 -","- C136 H148 Cl4 N8 O32 -","4","1","","Pepe, Giulio; Cole, Jacqueline M.; Waddell, Paul G.; Perry, James I.","Rationalizing the suitability of rhodamines as chromophores in dye-sensitized solar cells: a systematic molecular design study","Molecular Systems Design & Engineering","2016","1","4","416","","10.1039/C6ME00076B","","","0.71073","MoKα","","0.0889","0.067","","","","0.1661","","","","","","1.118","","","","has coordinates,has disorder","234772","2020-10-21","18:00:00",""
"1554065","9.4976","0.001","20.413","0.002","10.0843","0.0009","90","","112.307","0.009","90","","1808.8","0.3","293","","293","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","9,10-Diphenylanthracene","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Salzillo, Tommaso; Della Valle, Raffaele Guido; Venuti, Elisabetta; Brillante, Aldo; Siegrist, Theo; Masino, Matteo; Mezzadri, Francesco; Girlando, Alberto","Two New Polymorphs of the Organic Semiconductor 9,10-Diphenylanthracene: Raman and X-ray Analysis","The Journal of Physical Chemistry C","2016","120","3","1831","","10.1021/acs.jpcc.5b11115","","","0.71073","MoKα","","0.1273","0.0478","","0.0577","0.0457","0.0457","","","","","","0.9513","","","","has coordinates","236522","2020-10-21","18:00:00",""
"1554066","9.4051","0.0009","20.2644","0.0019","9.9777","0.0009","90","","113.003","0.009","90","","1750.4","0.3","105","","293","","","","","","","","9,10-Diphemylanthracene","2","P 1 21/a 1","-P 2yab","14","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Salzillo, Tommaso; Della Valle, Raffaele Guido; Venuti, Elisabetta; Brillante, Aldo; Siegrist, Theo; Masino, Matteo; Mezzadri, Francesco; Girlando, Alberto","Two New Polymorphs of the Organic Semiconductor 9,10-Diphenylanthracene: Raman and X-ray Analysis","The Journal of Physical Chemistry C","2016","120","3","1831","","10.1021/acs.jpcc.5b11115","","","0.71073","MoKα","","0.0945","0.0475","","0.0875","0.0782","0.0782","","","","","","0.8514","","","","has coordinates","236522","2020-10-21","18:00:00",""
"1554067","9.4528","0.0009","20.337","0.0019","10.0264","0.0009","90","","112.802","0.009","90","","1776.9","0.3","200","","293","","","","","","","","9,10-Diphenilanthracene","2","P 1 21/a 1","-P 2yab","14","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Salzillo, Tommaso; Della Valle, Raffaele Guido; Venuti, Elisabetta; Brillante, Aldo; Siegrist, Theo; Masino, Matteo; Mezzadri, Francesco; Girlando, Alberto","Two New Polymorphs of the Organic Semiconductor 9,10-Diphenylanthracene: Raman and X-ray Analysis","The Journal of Physical Chemistry C","2016","120","3","1831","","10.1021/acs.jpcc.5b11115","","","0.71073","MoKα","","0.1177","0.0472","","0.0777","0.0704","0.0704","","","","","","0.8308","","","","has coordinates","236522","2020-10-21","18:00:00",""
"1555013","23.94","0.011","28.05","0.013","23.991","0.011","90","","119.85","0.008","90","","13973","11","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C147 H132 N16 O27 Zn -","- C147 H132 N16 O27 Zn -","- C588 H528 N64 O108 Zn4 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Durmuş, Mahmut; Zhang, Xian-Fu; Makhseed, Saad","Dual-directional alkyne-terminated macrocycles: Enroute to non-aggregating molecular platforms","Organic Chemistry Frontiers","2019","6","18","3192","","10.1039/C9QO00695H","","","0.71075","MoKα","","0.1687","0.1287","","","0.3375","0.3647","","","","","","1.259","","","","has coordinates,has disorder","238272","2020-10-21","18:00:00",""
"1555858","11.6533","0.0002","10.6806","0.0002","13.6153","0.0003","90","","109.726","0.0008","90","","1595.18","0.05","150","","150","","","","","","","","synthesis","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H15 N3 -","- C20 H15 N3 -","- C80 H60 N12 -","4","1","","Lamb, Alan D.; Davey, Peter D.; Driver, Russell W.; Thompson, Amber L.; Smith, Martin D.","Enantioselective Synthesis of 4- and 6-Azaindolines by a Cation-Directed Cyclization.","Organic letters","2016","18","20","5372","5375","10.1021/acs.orglett.6b02744","","","0.71073","MoKα","","0.0649","0.045","","0.1132","0.0989","0.1132","","","","","","0.9395","","","","has coordinates","239184","2020-10-21","18:00:00",""
"1556329","17.8598","0.0014","10.775","0.0008","31.054","0.002","90","","101.73","0.004","90","","5851.2","0.7","120","2","120","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Compound 2","","","- C66 H64 Cl2 N4 O7.5 V2 -","- C66 H64 Cl2 N4 O7.5 V2 -","- C264 H256 Cl8 N16 O30 V8 -","4","1","","Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.","Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts","Catal. Sci. Technol.","2013","3","1","152","","10.1039/C2CY20571H","","","0.71073","MoKα","","0.1007","0.0653","","","0.1159","0.1271","","","","","","1.037","","","","has coordinates,has disorder","244216","2020-10-21","18:00:00",""
"1556330","9.6297","0.0003","12.1792","0.0004","16.2276","0.0006","90","","100.851","0.004","90","","1869.18","0.11","140","1","140","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound L5","","","- C44 H56 N2 O2 -","- C44 H56 N2 O2 -","- C88 H112 N4 O4 -","2","0.5","","Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.","Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts","Catal. Sci. Technol.","2013","3","1","152","","10.1039/C2CY20571H","","","0.71073","Mo-Kα","","0.1056","0.0498","","","0.0835","0.0958","","","","","","0.926","","","","has coordinates","244216","2020-10-21","18:00:00",""
"1556470","17.1928","0.0004","11.2469","0.0003","18.0925","0.0004","90","","96.108","0.001","90","","3478.61","0.15","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","dpg26","","","- C37 H30 Au Cl2 Hg I P2 -","- C37 H30 Au Cl2 Hg I P2 -","- C148 H120 Au4 Cl8 Hg4 I4 P8 -","4","1","","Lopez-de-Luzuriaga J.M.; Monge, M.; Olmos, M.E.; Pascual, D.","[AuHg(o-C6H4PPh2)2I]: A Dinuclear Heterometallic Blue Emitter","Inorganics","2015","3","","27","39","10.3390/inorganics3010027","","x-ray","0.71073","MoKα","","0.0377","0.0278","","","0.0635","0.0678","","","","","","1.027","","","","has coordinates","244956","2020-10-21","18:00:00",""
"1557046","14.417","0.002","18.045","0.002","23.48","0.003","90","","90.244","0.011","90","","6108.4","1.3","","","293","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C12 H35 Cl4 Cr2 N8 Na O18 -","- C12 Cl4 Cr2 N8 Na O18.005 -","- C96 Cl32 Cr16 N64 Na8 O144.04 -","8","2","","Andersen, Peter; Bengaard, Hanne; Glerup, Jorgen; Gumm, Andreas; Larsen, Sine","Synthesis and Characterization of a Dinuclear Chromium(III) Complex with Two Amido Bridges and One Hydroxo Bridge. Crystal Structure of Na[(tacn)Cr(mu-NH2)2(mu-OH)Cr(tacn)](ClO4)4.H2O (tacn = 1,4,7-Triazacyclononane)","Acta Chemica Scandinavica","1998","52","","1313","1321","10.3891/acta.chem.scand.52-1313","","x-ray","0.71069","MoKα","","","0.0894","","","0.1649","","","","","","","1.229","","","","has coordinates","246862","2020-10-21","18:00:00",""
"1557154","10.301","0.004","7.095","0.002","7.525","0.003","90","","96.45","0.03","90","","546.5","0.3","","","293","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- Al2 Br6 -","- Al2 Br6 -","- Al4 Br12 -","2","0.5","","Berg, Rolf Willestofte; Poulsen, Finn Willy; Nielsen, Kurt","Redetermination of the Crystal Structure of Al2Br6. A Comparison of Three Methods","Acta Chemica Scandinavica","1997","51","","442","448","10.3891/acta.chem.scand.51-0442","","x-ray","0.71069","MoKα","","0.0746","0.0418","","","","0.1066","","","","","","","","","","has coordinates","247253","2020-10-21","18:00:00",""
"1557198","17.525","0.003","17.955","0.004","12.804","0.002","90","","104.97","0.02","90","","3892.2","1.3","","","25","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","Mn(cth)Cu(oxpn)(CF3SO3)2","","","- C26 H52 Cu F6 Mn N8 O8 S2 -","- C26 Cu F6 Mn N8 O8 S2 -","- C104 Cu4 F24 Mn4 N32 O32 S8 -","4","1","","Baron, V.; Gillon, B.; Kahn, O.; Rundlof, H.; Tellgren, R.","Low-Temperature Neutron and X-Ray Diffraction Studies on Mn(cth)Cu(oxpn)(CF3SO3)2: (cth) = (±)-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane; (oxpn) = N,N'-Bis(3-aminopropyl)oxamide","Acta Chemica Scandinavica","1997","51","","683","688","10.3891/acta.chem.scand.51-0683","","x-ray","0.71069","MoKα","","","0.057","","","0.072","","","","","","","3.6","","","","has coordinates","247408","2020-10-21","18:00:00",""
"1557432","9.5811","0.0006","4.435","0.0006","15.5616","0.0006","90","","106.922","0.004","90","","632.62","0.1","","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","trans-Diamminedihydroxoplatinum(II) Dihydrate","","","- H12 N2 O4 Pt -","- N2 O4 Pt -","- N8 O16 Pt4 -","4","1","","Arpalahti, Jorma; Sillanpaa, Reijo; Barnham, Kevin J.; Sadler, Peter J.","X-Ray Crystal Structure Determination and Spectroscopic Characterization of trans-Diamminedihydroxoplatinum(II) Dihydrate","Acta Chemica Scandinavica","1996","50","","181","184","10.3891/acta.chem.scand.50-0181","","x-ray","0.71069","MoKα","","","0.031","","","0.048","","","","","","","","","","","has coordinates","248646","2020-10-21","18:00:00",""
"1557489","29.873","0.005","7.662","0.002","9.192","0.002","90","","91.75","0.02","90","","2102.9","0.8","","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","[5]TH","","","- C23 H12 N2 O6 S3 -","- C23 N2 O6 S3 -","- C92 N8 O24 S12 -","4","1","","Yamada, Koh-ichi; Oguma, Eiji; Nakagawa, Hiroko; Kawazura, Hiroshi; Miyamae, Hiroshi","Structure of the 1:1 Charge-Transfer Complex between Trithia[5]heterohelicene and 3,5-Dinitrobenzoic Acid. Deformation of Helicene Molecules in Crystals","Acta Chemica Scandinavica","1996","50","","438","442","10.3891/acta.chem.scand.50-0438","","x-ray","0.71069","MoKα","","","0.074","","","0.079","","","","","","","","","","","has coordinates","249079","2020-10-21","18:00:00",""
"1557691","11.524","0.002","11.959","0.002","14.284","0.001","90","","109.14","0.01","90","","1859.7","0.5","","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","trans-3-(4-Acetoxy-3-methoxyphenyl)-8-acetyloxy-2-methyl-2,3-dihydro- 1,4-benzodioxine","","","- C20 H20 O7 -","- C20 H20 O7 -","- C80 H80 O28 -","4","1","","Lariucci, Carlito; Inumaru, Aurea Tamae; Barata, Lauro Euclides Soares; de Azevedo, Neucirio Ricardo; Ferri, Pedro Henrique","Synthesis and Crystal Structure of trans-3-(4-Acetoxy-3-methoxyphenyl)-8-acetyloxy-2-methyl-2,3-dihydro- 1,4-benzodioxine","Acta Chemica Scandinavica","1996","50","","1025","1029","10.3891/acta.chem.scand.50-1025","","x-ray","0.71069","MoKα","","","0.059","","","","","","","","","","","","","","has coordinates","249858","2020-10-21","18:00:00",""
"1557700","13.965","0.003","10.292","0.002","8.608","0.002","90","","104.51","0.02","90","","1197.7","0.5","","","93","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Phenyltrimethylammonium Salt of Hexachlorotellurate(IV) [C6H5(CH3)3N]2[TeCl6]","","","- C18 H28 Cl6 N2 Te -","- C18 Cl6 N2 Te -","- C36 Cl12 N4 Te2 -","2","0.5","","Hauge, Sverre; Maroy, Kjartan","Syntheses and Crystal Structures of Phenyltrimethylammonium Salts of Hexachlorotellurate(IV), [C6H5(CH3)3N]2[TeCl6], catena-poly[(Di-mu-chlorobis{tetrachlorotellurate(IV)})-mu-bromine], [C6H5(CH3)3N]2n[Te2Cl10.Br2]n and Di-mu-chlorobis{tetrachlorotellurate(IV)} catena-poly[(mu-chlorobis{pentachlorotellurate(IV)})-mu-iodine(I)], [C6H5(CH3)3N]4n[Te2Cl10]n[Te2Cl11.I]n","Acta Chemica Scandinavica","1996","50","","1095","1101","10.3891/acta.chem.scand.50-1095","","x-ray","0.71069","MoKα","","","0.018","","","0.022","","","","","","","1.573","","","","has coordinates","249915","2020-10-21","18:00:00",""
"1557714","17.192","0.005","15.593","0.002","18.178","0.004","90","","91.27","0.02","90","","4871.9","1.9","","","93","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","trans-N,P-[Pt(ppy)(Pmor3)Cl]","","","- C23 H36 Cl N4 O3 P Pt -","- C23 Cl N4 O3 P Pt -","- C184 Cl8 N32 O24 P8 Pt8 -","8","2","","Balashev, Konstantin P.; Engebretsen, Thoralf; Kvam, Per-Inge; Maartmann-Moe, Knut; Puzyk, Michael V.; Songstad, Jon","Crystal Structures and Spectroscopic Properties of trans-N,P-[Pt(ppy)(Pmor3)Cl] and trans-N,P-[Pt(tpy)(Pmor3)Cl].CH3CN [ppy = N,C'-chelated 2-phenylpyridinate, tpy = N,C'-Chelated 2-(2'-thienyl)pyridinate, Pmor3 = tris(morpholino)phosphine]","Acta Chemica Scandinavica","1996","50","","1108","1115","10.3891/acta.chem.scand.50-1108","","x-ray","0.71073","MoKα","","","0.031","","","0.028","","","","","","","1.216","","","","has coordinates","249962","2020-10-21","18:00:00",""
"1557715","12.415","0.004","12.731","0.001","16.702","0.006","90","","105.42","0.02","90","","2544.8","1.3","","","93","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","trans-N,P-[Pt(tpy)(Pmor3)Cl].CH3CN","","","- C23 H36 Cl N5 O3 P Pt S -","- C23 Cl N5 O3 P Pt S -","- C92 Cl4 N20 O12 P4 Pt4 S4 -","4","1","","Balashev, Konstantin P.; Engebretsen, Thoralf; Kvam, Per-Inge; Maartmann-Moe, Knut; Puzyk, Michael V.; Songstad, Jon","Crystal Structures and Spectroscopic Properties of trans-N,P-[Pt(ppy)(Pmor3)Cl] and trans-N,P-[Pt(tpy)(Pmor3)Cl].CH3CN [ppy = N,C'-chelated 2-phenylpyridinate, tpy = N,C'-Chelated 2-(2'-thienyl)pyridinate, Pmor3 = tris(morpholino)phosphine]","Acta Chemica Scandinavica","1996","50","","1108","1115","10.3891/acta.chem.scand.50-1108","","x-ray","0.71073","MoKα","","","0.026","","","0.033","","","","","","","1.626","","","","has coordinates","249963","2020-10-21","18:00:00",""
"1557743","12.402","0.002","9.414","0.001","3.216","0.001","90","","97.73","0.03","90","","372.06","0.14","","","293","","","","","","","","surgery product from a man's liver","4","P 1 21/a 1","-P 2yab","14","chukanovite Fe2(CO3)(OH)2","","Chukanovite","- C H2 Fe2 O5 -","- C Fe2 O5 -","- C4 Fe8 O20 -","4","1","","Seungyeol Lee; Huifang Xu","The crystal structure and Gibbs free energy of formation of chukanovite as an oxidation product of carbon steel in human liver","Chemical Geology","2018","488","","180","188","10.1016/j.chemgeo.2018.04.033","powder diffraction","x-ray","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"1558011","16.6398","0.0011","9.562","0.0006","16.8786","0.0011","90","","106.273","0.004","90","","2578","0.3","296","2","296","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C37 H24 -","- C37 H24 -","- C148 H96 -","4","1","","Wang, Qiang; Lucas, Fabien; Quinton, Cassandre; Qu, Yang-Kun; Rault-Berthelot, Joëlle; Jeannin, Olivier; Yang, Sheng-Yi; Kong, Fan-Cheng; Kumar, Sarvendra; Liao, Liang-Sheng; Poriel, Cyril; Jiang, Zuo-Quan","Evolution of pure hydrocarbon hosts: simpler structure, higher performance and universal application in RGB phosphorescent organic light-emitting diodes","Chemical Science","2020","11","19","4887","4894","10.1039/D0SC01238F","","x-ray","0.71073","MoKα","","0.1906","0.0612","","","0.1113","0.1533","","","","","","0.967","","","","has coordinates","257327","2020-10-21","18:00:00",""
"1558184","12.7006","0.0004","10.0271","0.0005","20.1044","0.001","90","","106.525","0.003","90","","2454.55","0.19","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","Compound X","","","- C14 H14 O2 -","- C14 H14 O2 -","- C112 H112 O16 -","8","2","","RESENDE, Pamela C. S.; COURI, Mara R. C.; MIGUEL, Fábio B.; CUIN, Alexandre","Analytical, Spectroscopic and Crystallographic Characterization of 3-[(2<i>E</i>)-3-Phenylprop-2-en-1-ylidene]pentane-2,4-dione","X-ray Structure Analysis Online","2020","36","0","15","16","10.2116/xraystruct.36.15","","x-ray","0.71073","MoKα","","0.1494","0.0831","","","0.2238","0.2565","","","","","","1.045","","","","has coordinates","258168","2020-10-21","18:00:00",""
"1558549","9.386","0.003","12.647","0.007","6.055","0.002","90","","107.17","0.03","90","","686.7","0.5","","","15","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Diammonium Hexaaquacopper Disulfate (ND4)2Cu(SO4)2.6D2O","","","- Cu D20 N2 O14 S2 -","- Cu D20 N2 O14 S2 -","- Cu2 D40 N4 O28 S4 -","2","0.5","","Iversen, Bo Brummerstedt; Larsen, Finn Krebs; Reynolds, Philip A.; Figgis, Brian N.","Single-Crystal Neutron Diffraction Study of Diammonium Hexaaquacopper Disulfate at 15 and 293 K. Investigation of Anharmonic Thermal Motion","Acta Chemica Scandinavica","1994","48","","800","809","10.3891/acta.chem.scand.48-0800","","neutron","1.013","","","","0.018","","","0.024","","","","","","","1","","","","has coordinates","254142","2020-10-21","18:00:00",""
"1558550","9.302","0.004","12.519","0.009","6.188","0.003","90","","106.46","0.04","90","","691.1","0.7","","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Diammonium Hexaaquacopper Disulfate (ND4)2Cu(SO4)2.6D2O","","","- Cu D20 N2 O14 S2 -","- Cu D20 N2 O14 S2 -","- Cu2 D40 N4 O28 S4 -","2","0.5","","Iversen, Bo Brummerstedt; Larsen, Finn Krebs; Reynolds, Philip A.; Figgis, Brian N.","Single-Crystal Neutron Diffraction Study of Diammonium Hexaaquacopper Disulfate at 15 and 293 K. Investigation of Anharmonic Thermal Motion","Acta Chemica Scandinavica","1994","48","","800","809","10.3891/acta.chem.scand.48-0800","","neutron","1.013","","","","0.064","","","0.072","","","","","","","2.41","","","","has coordinates","254143","2020-10-21","18:00:00",""
"1558573","18.553","0.013","3.882","0.002","31.55","0.02","90","","94.74","0.05","90","","2265","2","","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","1,2,4,5,7,8-Hexachloronaphthalene","","","- C10 H2 Cl6 -","- C10 Cl6 -","- C80 Cl48 -","8","2","","Jakobsson, Eva; Lonnberg, Cecilia; Eriksson, Lars","Synthesis and Crystallography of Two Hexachloronaphthalenes. Part II. 1,2,4,5,6,8-Hexachloronaphthalene and 1,2,4,5,7,8-Hexachloronaphthalene","Acta Chemica Scandinavica","1994","48","","891","898","10.3891/acta.chem.scand.48-0891","","x-ray","0.71069","MoKα","","0.1273","0.0751","","","","0.2426","","","","","","1.435","","","","has coordinates","254227","2020-10-21","18:00:00",""
"1558848","12.615","0.001","11.984","0.001","16.747","0.001","90","","90.234","0.009","90","","2531.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H24 F10 O S24 Ta2 -","- C30 H24 F10 O S24 Ta2 -","- C60 H48 F20 O2 S48 Ta4 -","2","0.5","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","0.71073","MoKα","","0.2169","0.065","","","0.074","0.0942","","","","","","0.961","","","","has coordinates,has disorder","255302","2020-10-21","18:00:00",""
"1558909","10.338","0.002","10.627","0.002","13.232","0.003","90","","93.95","0.02","90","","1450.2","0.5","","","130","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","bicyclic guanidinium/nitronate salt","","","- C14 H20 N4 O2 -","- C14 H2 N4 O2 -","- C56 H8 N16 O8 -","4","1","","van Aken, Eddie; Wynberg, Hans; van Bolhuis, Fre","Nitroalkanes in C‒C Bond Forming Reactions: a Crystal Structure of a Complex of a Guanidine Catalyst and a Nitroalkane Substrate","Acta Chemica Scandinavica","1993","47","","122","124","10.3891/acta.chem.scand.47-0122","","x-ray","0.71073","MoKα","","","0.041","","","0.048","","","","","","","","","","","has coordinates","255624","2020-10-21","18:00:00",""
"1558922","15.019","0.003","9.918","0.003","9.341","0.002","90","","109.85","0.03","90","","1308.7","0.6","","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-thiadiazine","","","- C13 H17 N3 S -","- C13 H17 N3 S -","- C52 H68 N12 S4 -","4","1","","Szulzewsky, Klaus; Pfeiffer, Wolf-Diethard; Bulka, Ehrenfried; Rossberg, Harald; Schulz, Burghard","The Crystal Structures of 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-thiadiazine and 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-selenadiazine","Acta Chemica Scandinavica","1993","47","","302","306","10.3891/acta.chem.scand.47-0302","","x-ray","0.71069","MoKα","","","0.077","","","","","","","","","","","","","","has coordinates","255690","2020-10-21","18:00:00",""
"1558923","19.533","0.003","6.079","0.002","12.241","0.002","90","","107.79","0.02","90","","1384","0.6","","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-selenadiazine","","","- C13 H17 N3 Se -","- C13 H N3 Se -","- C52 H4 N12 Se4 -","4","1","","Szulzewsky, Klaus; Pfeiffer, Wolf-Diethard; Bulka, Ehrenfried; Rossberg, Harald; Schulz, Burghard","The Crystal Structures of 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-thiadiazine and 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-selenadiazine","Acta Chemica Scandinavica","1993","47","","302","306","10.3891/acta.chem.scand.47-0302","","x-ray","0.71069","MoKα","","","0.067","","","","","","","","","","","","","","has coordinates","255691","2020-10-21","18:00:00",""
"1558953","11.673","0.002","17.598","0.003","11.376","0.002","90","","113.93","0.01","90","","2136","0.7","","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","Chiral Triptycene","","","- C28 H28 O2 -","- C28 H28 O2 -","- C112 H112 O8 -","4","1","","Isaksson, Roland; Oki, Michinori; Sandstrom, Jan; Suissa, M. Rachel; Toyota, Shinji","Chiral Triptycenes Owing their Chirality to Hindered Rotation of a Bridgehead Substituent. Crystal Structure, Chromatographic Enantiomer Resolution, and Circular Dichroism Spectra","Acta Chemica Scandinavica","1993","47","","570","576","10.3891/acta.chem.scand.47-0570","","x-ray","0.71073","MoKα","","","0.072","","","0.052","","","","","","","2.97","","","","has coordinates","255800","2020-10-21","18:00:00",""
"1559005","18.019","0.005","7.204","0.001","24.288","0.007","90","","99.26","0.02","90","","3111.7","1.3","","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1,7-Bis-[(N-benzylcarbamoyl)methyl]-1,4,7-triazaheptane-1,4,7-triacetic acid dihydrate","","","- C28 H41 N5 O10 -","- C28 N5 O10 -","- C112 N20 O40 -","4","1","","Ehnebom, Lisbeth; Pedersen, Berit Fjaertoft; Klaveness, Jo","Molecular and Crystal Structures of Two Chelating Agents for Use in MRI Contrast Agents","Acta Chemica Scandinavica","1993","47","","965","970","10.3891/acta.chem.scand.47-0965","","x-ray","0.71069","MoKα","","","0.034","","","0.031","","","","","","","1.61","","","","has coordinates","256222","2020-10-21","18:00:00",""
"1559035","7.303","0.002","11.143","0.002","11.338","0.001","90","","99.428","0.008","90","","910.2","0.3","","","293","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","Potassium hexathiocyanatoplatinate(IV) dihydrate, K2Pt(SCN)6.2H2O","","","- C6 H4 K2 N6 O2 Pt S6 -","- C6 H4 K2 N6 O2 Pt S6 -","- C12 H8 K4 N12 O4 Pt2 S12 -","2","0.5","","Arpalahti, Jorma; Holsa, Jorma; Sillanpaa, Reijo","Studies on Potassium Thiocyanatoplatinates. II. Crystal Structure of Potassium Hexathiocyanatoplatinate(IV) Dihydrate, K2Pt(SCN)6.2H2O","Acta Chemica Scandinavica","1993","47","","1078","1082","10.3891/acta.chem.scand.47-1078","","x-ray","0.71069","MoKα","","","0.025","","","0.033","","","","","","","1.37","","","","has coordinates","256298","2020-10-21","18:00:00",""
"1559077","11.717","0.002","8.283","0.002","13","0.001","90","","103.79","0.01","90","","1225.3","0.4","","","291","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","trans-Di(3-iodobenzoato)bis(1,3-diaminopropane)copper(II), C20H28CuI2N4O4","","","- C20 H28 Cu I2 N4 O4 -","- C20 Cu I2 N4 O4 -","- C40 Cu2 I4 N8 O8 -","2","0.5","","Sundberg, Markku R.; Sillanpaa, Reijo","Structure of trans-Di(3-iodobenzoato)bis(1,3-diaminopropane)copper(II), C20H28CuI2N4O4","Acta Chemica Scandinavica","1992","46","","34","37","10.3891/acta.chem.scand.46-0034","","x-ray","0.71069","MoKα","","","0.028","","","0.037","","","","","","","","","","","has coordinates","256402","2020-10-21","18:00:00",""
"1559220","7.755","0.008","15.415","0.009","8.095","0.008","90","","104","0.1","90","","939","1.5","","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Lead(II) Nitrate : 18-Crown-6","","","- C12 H24 N2 O12 Pb -","- C12 N2 O12 Pb -","- C24 N4 O24 Pb2 -","2","0.5","","Drew, Michael G. B.; Nicholson, David G.; Sylte, Ingebrigt; Vasudevan, Asha K.","The Crystal and Molecular Structure of Lead(II) Nitrate : 18-Crown-6","Acta Chemica Scandinavica","1992","46","","396","399","10.3891/acta.chem.scand.46-0396","","x-ray","0.71069","MoKα","","","0.058","","","0.062","","","","","","","","","","","has coordinates","256826","2020-10-21","18:00:00",""
"1559260","13.949","0.004","10.691","0.003","15.203","0.003","90","","110","0.02","90","","2130.5","1","","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Benzothiazolo[2,3-a]isoindolone","","","- C27 H23 N O S -","- C27 N O S -","- C108 N4 O4 S4 -","4","1","","Pihlaja, Kalevi; Sillanpaa, Reijo; Stajer, Geza; Frimpong-Manso, Samuel","X-Ray Study of a Pentacyclic Partially Saturated Benzothiazolo[2,3-a]isoindolone","Acta Chemica Scandinavica","1992","46","","1021","1023","10.3891/acta.chem.scand.46-1021","","x-ray","0.71069","MoKα","","","0.046","","","0.051","","","","","","","","","","","has coordinates","257174","2020-10-21","18:00:00",""
"1559490","8.446","0.004","32.903","0.003","9.671","0.002","90","","106.44","0.02","90","","2577.7","1.4","","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","threo-1-(4-Acetoxy-3,5-dimethoxyphenyl)-2-{2,6-dimethoxy-4- [(E)-propenyl]phenoxy}propyl Acetate","","","- C26 H32 O9 -","- C26 H32 O9 -","- C104 H128 O36 -","4","1","","Wallis, Adrian F. A.; Lundquist, Knut; Stomberg, Rolf","Stereochemistry of 1-Arylpropane-1,2-diol 2-Aryl Ethers. X-Ray Structures of the Diastereomers of 1-(4-Acetoxy-3,5-dimethoxyphenyl)-2-{2,6-dimethoxy-4- [(E)-propenyl]phenoxy}propyl Acetate","Acta Chemica Scandinavica","1991","45","","508","516","10.3891/acta.chem.scand.45-0508","","x-ray","0.71069","MoKα","","","0.046","","","0.051","0.068","","","","","","1.57","","","","has coordinates","259058","2020-11-10","08:18:40",""
"1559528","9.972","0.001","9.362","0.001","10.362","0.001","90","","104.14","0.01","90","","938.06","0.17","","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Tl0.8Sn0.6Mo7O11","","","- Mo7 O11 Sn0.6 Tl0.8 -","- Mo7 O11 Sn0.61 Tl0.77 -","- Mo28 O44 Sn2.44 Tl3.08 -","4","1","","Dronskowski, Richard; Simon, Arndt","Synthesis and Crystal Structure of Tl0.8Sn0.6Mo7O11. Mo14O34 Clusters Containing Three Condensed Mo6 Octahedra","Acta Chemica Scandinavica","1991","45","","850","859","10.3891/acta.chem.scand.45-0850","","x-ray","0.71069","MoKα","","","0.051","","","0.046","","","","","","","","","","","has coordinates","259158","2020-11-17","10:21:55",""
"1560743","8.0883","0.0003","15.4352","0.0006","15.3363","0.0006","90","","92.076","0.002","90","","1913.4","0.13","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H18 Co O8 P2 Sr -","- C14 H14 Co O8 P2 Sr -","- C56 H56 Co4 O32 P8 Sr4 -","4","1","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Hydrothermal syntheses and characterization of phenyl- and benzyl-phosphonates and ethylene- and propylene-diphosphonates of cobalt(II), ACo(O3PR)2·xH2O and ACo(O3P-R-PO3)·2H2O (A = Ca, Sr, Ba; R = Ph, CH2Ph, -CH2CH2-, -CH2CH2CH2-)","Journal of Solid State Chemistry","2018","268","","115","122","10.1016/j.jssc.2018.08.031","","","0.71073","MoKα","","0.1102","0.0752","","","0.1568","0.1688","","","","","","1.247","","","","has coordinates,has disorder","262350","2021-03-02","08:26:39",""
"1560794","9.23614","0.00022","5.00555","0.00013","8.08948","0.00024","90","","92.8146","0.0014","90","","373.541","0.017","298","2","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Barium cobalt phosphate","","","- Ba Co2 O8 P2 -","- Ba Co2 O8 P2 -","- Ba2 Co4 O16 P4 -","2","0.5","","Zhuravlev, V.D.; Kellerman, D.G.; Tyutyunnik, A.P.; Chufarov, A.Yu.; Samigullina, R.F.","Synthesis, structure and magnetic properties of new γ-Ba(CoV1-xPxO4)2 x = 0.4‒0.5","Journal of Solid State Chemistry","2018","266","","174","180","10.1016/j.jssc.2018.07.017","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.11852","","1.82","","","","","","","has coordinates","262395","2021-03-03","10:33:11",""
"1563165","11.44","0.002","7.6431","0.0014","16.451","0.003","90","","95.999","0.006","90","","1430.5","0.4","298","2","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H12 O3 S -","- C18 H12 O3 S -","- C72 H48 O12 S4 -","4","1","","Chen, Junru; Chen, Xiaojie; Liu, Yanyan; Li, Yang; Zhao, Juan; Yang, Zhiyong; Zhang, Yi; Chi, Zhenguo","A color-tunable single-component luminescent molecule with multiple emission centers","Chemical Science","2021","","","","","10.1039/D1SC02094C","","","0.71075","MoKα","","0.1672","0.0715","","","0.117","0.1469","","","","","","1.015","","","","has coordinates","265818","2021-06-05","01:23:59",""
"1566170","15.323","0.003","3.8645","0.0007","17.224","0.003","90","","112.183","0.006","90","","944.4","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H9 N O2 -","- C13 H9 N O2 -","- C52 H36 N4 O8 -","4","1","","Marquise, Nada; Harford, Philip J.; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Gagez, Anne-Laure; Sablé, Sophie; Picot, Laurent; Thiéry, Valérie; Wheatley, Andrew E.H.; Gros, Philippe C.; Mongin, Florence","Synthesis of azafluorenones and related compounds using deprotocupration–aroylation followed by intramolecular direct arylation","Tetrahedron","2013","69","47","10123","10133","10.1016/j.tet.2013.09.030","","x-ray","0.71073","MoKα","","0.0774","0.0569","","","0.1524","0.1754","","","","","","1.054","","","","has coordinates","272272","2022-01-27","09:24:41",""
"1566624","11.164","0.003","5.0419","0.0008","15.9267","0.0017","90","","91.317","0.007","90","","896.2","0.3","138","","138","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1,4-bis(pentafuluoropentyl)benzene","","","- C16 H16 F10 O2 -","- C16 H16 F10 O2 -","- C32 H32 F20 O4 -","2","0.5","","Onishi, Katsuto; Ohtani, Shunsuke; Kato, Kenichi; Fa, Shixin; Sakata, Yoko; Akine, Shigehisa; Ogasawara, Moe; Asakawa, Hitoshi; Nagano, Shusaku; Takashima, Yoshinori; Mizuno, Motohiro; Ogoshi, Tomoki","State- and water repellency-controllable molecular glass of pillar[5]arenes with fluoroalkyl groups by guest vapors","Chemical Science","2022","","","","","10.1039/D2SC00828A","","","1.54178","CuKα","","0.0882","0.0785","","","0.234","0.2479","","","","","","1.083","","","","has coordinates","273744","2022-03-16","23:19:25",""
"1566626","23.6441","0.0011","22.5243","0.0011","31.147","0.0016","90","","95.0726","0.0019","90","","16522.9","1.4","90","","90","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","C75H80F30O10(C6H14)","","","- C81 H94 F30 O10 -","- C81 H94 F30 O10 -","- C648 H752 F240 O80 -","8","2","","Onishi, Katsuto; Ohtani, Shunsuke; Kato, Kenichi; Fa, Shixin; Sakata, Yoko; Akine, Shigehisa; Ogasawara, Moe; Asakawa, Hitoshi; Nagano, Shusaku; Takashima, Yoshinori; Mizuno, Motohiro; Ogoshi, Tomoki","State- and water repellency-controllable molecular glass of pillar[5]arenes with fluoroalkyl groups by guest vapors","Chemical Science","2022","","","","","10.1039/D2SC00828A","","","1.54178","CuKα","","0.1406","0.1042","","","0.2322","0.2552","","","","","","1.129","","","","has coordinates,has disorder","273744","2022-03-16","23:19:25",""
"1566647","9.2417","0.0001","7.4724","0.0001","10.297","0.0001","90","","109.687","0.0009","90","","669.521","0.014","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","ice XIII","","- D2 O -","- D1.92714 O -","- D53.96 O28 -","28","7","","Salzmann, C. G.; Radaelli, P. G.; Hallbrucker, A.; Mayer, E.; Finney, J. L.","The preparation and structures of hydrogen ordered phases of ice","Science","2006","311","","1758","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273841","2022-03-20","07:29:06",""
"1567181","26.371","0.007","5.2029","0.0013","8.904","0.002","90","","99.325","0.002","90","","1205.5","0.5","298","","298","","0","","0","","","","","4","P 1 21/a 1","-P 2yab","14","","Glutaric acid isonicotinamide","Form II","- C11 H14 N2 O5 -","- C11 H14 N2 O5 -","- C44 H56 N8 O20 -","4","1","","Linberg, Kevin; Röder, Bettina; Al-Sabbagh, Dominik; Emmerling, Franziska; Michalchuk, Adam A. L.","Controlling polymorphism in molecular cocrystals by variable temperature ball milling.","Faraday discussions","2023","241","0","178","193","10.1039/d2fd00115b","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","8.58","","","","","","","has coordinates","283357","2023-05-05","02:46:22",""
"1567273","9.24033","0.00013","7.46235","0.00011","10.29166","0.00013","90","","109.768","0.001","90","","667.839","0.017","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","ice XIII","","","- D2 O -","- D2 O -","- D56 O28 -","28","7","","Salzmann, C. G.; Rosu-Finsen, A.; Sharif, Z.; Radaelli, P.G.; Finney, J. L.","Detailed crystallographic analysis of the ice V to ice XIII hydrogen-ordering phase transition","The Journal of Chemical Physics","2021","154","","134504","","","","","","","","","","","","","","","","","","","","","","","has coordinates","276773","2022-07-16","05:55:25",""
"1568677","7.344","0.003","7.485","0.002","10.775","0.004","90","","91.06","0.03","90","","592.2","0.4","293","","293","","","","","","","","see text","5","P 1 21/a 1","-P 2yab","14","","","","- C4 H14 Cd Cl4 N2 -","- C4 H14 Cd Cl4 N2 -","- C8 H28 Cd2 Cl8 N4 -","2","0.5","","El Mostafa Khechoubi; A. Bendani; N Guyen Ba Chanh; Christian Courseille; Robert Duplessix; Michel Couzi","Thermal conformational changes in a bidimensional molecular composite material: A thermodynamic and crystallographic study of NH3-(CH2)4-NH3 CdCl4","Journal of Physics and Chemistry of Solids","1994","55","11","1277","1288","","","x-ray","0.71073","MoKα","","","0.0569","","","0.0575","","","","","","","","","","","has coordinates","281930","2023-03-17","14:48:48",""
"1568679","7.657","0.001","7.585","0.001","9.541","0.002","90","","101.56","0.01","90","","542.89","0.15","","","293","","","","","","","","see text","5","P 1 21/a 1","-P 2yab","14","","catena-(Propane-1,4-diammonium bis(μ~2~-chloro)-dichloro-cadmium(ii))","","- C4 H14 Cd Cl4 N2 -","- C2 H7 Cd0.5 Cl2 N -","- C8 H28 Cd2 Cl8 N4 -","4","1","","El Mostafa Khechoubi; A. Bendani; N Guyen Ba Chanh; Christian Courseille; Robert Duplessix; Michel Couzi","Thermal conformational changes in a bidimensional molecular composite material: A thermodynamic and crystallographic study of NH3-(CH2)4-NH3 CdCl4","Journal of Physics and Chemistry of Solids","1994","55","11","1277","1288","","","","","","","","0.0767","","","0.0767","","","","","","","","","","","has coordinates","281932","2023-03-17","14:49:18",""
"1568977","9.20152","0.000018","5.265935","0.00001","13.54116","0.00002","90","","90.0661","0.0001","90","","656.131","0.002","300","","300","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Co Na O P Sr -","- Co4 Na8 O32 P8 Sr4 -","- Co4 Na8 O32 P8 Sr4 -","1","0.25","","Bader, Vera P.; Langmann, Jan; Gegenwart, Philipp; Tsirlin, Alexander A.","Deformation of the triangular spin-1/2 lattice in Na2SrCo(PO4)2","Physical Review B","2022","106","5","054415-1","","10.1103/PhysRevB.106.054415","powder diffraction","x-ray","0.35424","","","","","","","","","","","","","","","","","","has coordinates","282880","2023-04-27","08:40:49",""
"2000046","21.323","0.006","10.26","0.003","10.271","0.003","90","","110.5","0.05","90","","2104.73","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H20 N2 S -","- C26 H20 N2 S -","- C104 H80 N8 S4 -","4","1","","Averbuch-Pouchot, Marie-Therese; Durif, André; Banister, Arthur J.; Durrant, James A.; Halfpenny, Joan","Notes. Crystal structure of bis(diphenylmethyleneamino) monosulphide, S(N=CPh~2~)~2~","Journal of the Chemical Society, Dalton Transactions","1982","","1","221","223","10.1039/dt9820000221","","","","","","","0.035","","","0.035","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000050","8.059","0.003","11.819","0.005","7.513","0.003","90","","110.12","0.05","90","","671.938","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Ethylene-1,2-diammonium monohydrogen phosphate","","","- C2 H11 N2 O4 P -","- C2 H11 N2 O4 P -","- C8 H44 N8 O16 P4 -","4","1","","Averbuch-Pouchot, M. T.; Durif, A.","Structures of ethylenediammonium monohydrogentetraoxophosphate(V) and ethylenediammonium monohydrogentetraoxoarsenate(V)","Acta Crystallographica, Section C: Crystal Structure Communications","1987","43","10","1894","1896","10.1107/S0108270187089716","","","","","","","0.03","","","0.03","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000072","10.32","0.008","12.39","0.004","11.219","0.002","90","","105.8","0.04","90","","1380.32","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 Cl4 O2 -","- C12 H10 Cl4 O2 -","- C48 H40 Cl16 O8 -","4","1","","Coquerel, Yoann; Blanc, Aurélien; Deprés, Jean-Pierre; Greene, Andrew E.; Averbuch-Pouchot, Marie-Thérèse; Philouze, Christian; Durif, André","(1R,2s,3S,6R,9S)-5,5,10,10-Tetrachloro-2-methyltricyclo[7.2.0.03,6]undec-7-ene-4,11-dione","Acta Crystallographica, Section C: Crystal Structure Communications","2000","56","12","1480","1481","10.1107/s0108270100012361","","","","","","","0.05","","","0.05","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000085","13.378","0.008","11.574","0.006","8.687","0.003","90","","103.15","0.03","90","","1309.8","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C4 H32 Cu N4 O24 P6 -","- C4 H44 Cu N4 O48 P12 -","- C8 H88 Cu2 N8 O96 P24 -","2","0.5","","Durif, A.; Averbuch-Pouchot, M. T.","Crystal chemistry of cyclo-hexaphosphates. IV. Structures of tris(ethylenediammonium) cyclo-hexaphosphate dihydrate and copper bis(ethylenediammonium) cyclo-hexaphosphate hexahydrate","Acta Crystallographica, Section C: Crystal Structure Communications","1989","45","12","1884","1887","10.1107/s0108270189004579","","","","","","","0.032","","","0.032","","","","","","","","","","","has coordinates","199750","2020-10-21","18:00:00",""
"2000089","16.804","0.01","23.883","0.01","10.623","0.008","90","","109.66","0.02","90","","4014.8","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H56 N6 O22 P6 -","- C12 H56 N6 O22 P6 -","- C48 H224 N24 O88 P24 -","4","1","","Averbuch-Pouchot, M. T.; Durif, A.","Crystal chemistry of cyclo-hexaphosphates. XVIII. Structures of ethylammonium cyclo-hexaphosphate tetrahydrate and hydrazinium(1+) hydrazinium(2+) cyclo-hexaphosphate","Acta Crystallographica, Section C: Crystal Structure Communications","1991","47","8","1579","1583","10.1107/s0108270191001415","","","","","","","0.035","","","0.035","","","","","","","","","","","has coordinates","199750","2020-10-21","18:00:00",""
"2000093","7.594","0.003","17.346","0.004","14.106","0.002","90","","98.74","0.02","90","","1836.54","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H19 N5 P2 -","- C17 H19 N5 P2 -","- C68 H76 N20 P8 -","4","1","","Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.","Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions","The Journal of Organic Chemistry","1999","64","10","3492","3497","10.1021/jo982245o","","","","","","","0.033","","","0.033","","","","","","","","","","","has coordinates","219250","2020-10-21","18:00:00",""
"2000095","14.128","0.005","14.927","0.006","17.277","0.009","90","","110.7","0.04","90","","3408.31","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C37 H29 Co2 N O4 P2 -","- C37 H29 Co2 N O4 P2 -","- C148 H116 Co8 N4 O16 P8 -","4","1","","Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.","Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions","The Journal of Organic Chemistry","1999","64","10","3492","3497","10.1021/jo982245o","","","","","","","0.037","","","0.037","","","","","","","","","","","has coordinates","219250","2020-10-21","18:00:00",""
"2000098","14.148","0.004","13.928","0.004","17.126","0.003","90","","111.54","0.02","90","","3139.05","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H25 Co2 N5 O4 P2 -","- C29 H25 Co2 N5 O4 P2 -","- C116 H100 Co8 N20 O16 P8 -","4","1","","Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.","Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions","The Journal of Organic Chemistry","1999","64","10","3492","3497","10.1021/jo982245o","","","","","","","0.021","","","0.021","","","","","","","","","","","has coordinates","219250","2020-10-21","18:00:00",""
"2000158","21.713","0.005","13.524","0.004","7.259","0.002","90","","95.2","0.02","90","","2122.8","1","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C29 H21 N O -","- C29 H21 N O -","- C116 H84 N4 O4 -","4","1","AS0496","Mori, Y.; Maeda, K.","2,4,4,6-Tetraphenyl-3(4<i>H</i>)-pyridinone","Acta Crystallographica Section C","1991","47","12","2682","2683","10.1107/S0108270191007485","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000194","11.194","0.004","10.944","0.003","14.815","0.005","90","","95.01","0.03","90","","1808","1","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C15 H28 O4 Si -","- C15 H28 O4 Si -","- C60 H112 O16 Si4 -","4","1","CR0344","Ammon, H. L.; DeShong, P.; Simpson, D.","Structure of a lactone, (3α,4α,6α)-4-(<i>tert</i>-butyldimethylsiloxy)-3,4,5,6-tetrahydro-6-methyl-3-(2-oxopropyl)-2<i>H</i>-pyran-2-one","Acta Crystallographica Section C","1991","47","11","2482","2484","10.1107/S0108270191006030","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000267","7.382","0.001","21.494","0.004","8.032","0.001","90","","94.26","0.01","90","","1270.9","0.3","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Cl Cu N4 O3.5 -","- C10 H10 Cl Cu N4 O3.5 -","- C40 H40 Cl4 Cu4 N16 O14 -","4","1","AB0184","Mathews, I. I.; Manohar, H.","Structure of a monochloro bridged polymeric copper(II)-di-2-pyridylamine complex: [Cu(dipyam)Cl(NO~3~)].0.5H~2~O","Acta Crystallographica Section C","1991","47","8","1621","1624","10.1107/S0108270191001233","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000348","7.408","0.003","14.318","0.005","7.188","0.003","90","","112.59","0.04","90","","703.9","0.5","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H12 Cl4 N4 Sn -","- C8 H12 Cl4 N4 Sn -","- C16 H24 Cl8 N8 Sn2 -","2","0.5","NA1002","Casellato, U.; Graziani, R.; Sánchez González, A.","Structure of dichlorobis(2-chloroimidazole)dimethyltin(IV)","Acta Crystallographica Section C","1992","48","12","2125","2126","10.1107/S0108270192003822","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000387","26.296","0.003","12.304","0.004","19.061","0.002","90","","103.63","0.02","90","","5993","2","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C71 H67 B Fe O2 P4 -","- C47 H47 Fe O2 P4 -","- C188 H188 Fe4 O8 P16 -","4","1","LI1002","Linn, K.; Masi, D.; Mealli, C.; Bianchini, C.; Peruzzini, M.","Structure of (4-pentynoato-<i>O</i>,<i>O</i>'){tris[2-(diphenylphosphino)ethyl]phosphine}iron(II) tetraphenylborate","Acta Crystallographica Section C","1992","48","12","2220","2222","10.1107/S0108270192004554","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000432","11.676","0.002","24.819","0.007","12.344","0.003","90","","113.74","0.02","90","","3274.4","1.4","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C12 H20 Br N4 O3 S -","- C12 H20 Br N4 O2.5 S -","- C96 H160 Br8 N32 O20 S8 -","8","2","AS0586","Hu, N.-H.; Zhang, S.-L.","Structure of thiamine bromide sesquihydrate","Acta Crystallographica Section C","1992","48","11","1951","1954","10.1107/S0108270192002257","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","208452","2020-10-21","18:00:00",""
"2000435","18.508","0.007","5.228","0.002","6.342","0.003","90","","93.22","0.03","90","","612.7","0.4","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C7 H6 O3 -","- C7 H7 O3 -","- C28 H28 O12 -","4","1","CR0372","Heath, E. A.; Singh, P.; Ebisuzaki, Y.","Structure of <i>p</i>-hydroxybenzoic acid and <i>p</i>-hydroxybenzoic acid-acetone complex (2/1)","Acta Crystallographica Section C","1992","48","11","1960","1965","10.1107/S0108270192002361","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000436","24.093","0.008","7.232","0.002","9.699","0.002","90","","92.47","0.02","90","","1688.4","0.8","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C17 H18 O7 -","- C17 H18 O7 -","- C68 H72 O28 -","4","1","CR0372","Heath, E. A.; Singh, P.; Ebisuzaki, Y.","Structure of <i>p</i>-hydroxybenzoic acid and <i>p</i>-hydroxybenzoic acid-acetone complex (2/1)","Acta Crystallographica Section C","1992","48","11","1960","1965","10.1107/S0108270192002361","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000465","16.525","0.002","15.386","0.002","19.751","0.002","90","","113.82","0.01","90","","4594","1","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H21 N O2 S Sn -","- C25 H21 N O2 S Sn -","- C200 H168 N8 O16 S8 Sn8 -","8","2","AS0579","Ng, S. W.; Kumar Das, V. G.","Structure of triphenyltin 2-(4-pyridylthio)acetate","Acta Crystallographica Section C","1992","48","11","2025","2026","10.1107/S0108270192002609","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000529","16.398","0.007","8.128","0.003","7.937","0.003","90","","92.13","","90","","1057.1","0.7","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 O2 S2 -","- C10 H12 O2 S2 -","- C40 H48 O8 S8 -","4","1","PA0269","Ginderow, D.; Mornon, J.-P.; Erdelmeier, I.; Dansette, P.; Mansuy, D.","Structure du 2,3-dihydro-3-(2-hydroxyéthylthio)benzo[<i>b</i>]thiophène 1-oxyde, C~10~H~12~O~2~S~2~","Acta Crystallographica Section C","1992","48","10","1808","1810","10.1107/S0108270192002002","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000591","23.365","0.003","10.688","0.001","20.542","0.002","90","","100.03","0.01","90","","5051.5","1","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C40 H26 Cl12 Cu2 N2 O8 -","- C40 H26 Cl12 Cu2 N2 O8 -","- C160 H104 Cl48 Cu8 N8 O32 -","4","1","AS0583","Kawata, T.; Ohba, S.; Tokii, T.; Muto, Y.; Kato, M.","Structures of aqua and pyridine adducts of dimeric copper(II) 2-chlorobenzoate","Acta Crystallographica Section C","1992","48","9","1590","1594","10.1107/S010827019200129X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206336","2020-10-21","18:00:00",""
"2000620","12.62","0.003","15.719","0.005","9.945","0.002","90","","90.14","0.02","90","","1972.8","0.9","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C8 H24 Cl6 N2 Te -","- C8 H24 Cl6 N2 Te -","- C32 H96 Cl24 N8 Te4 -","4","1","AS0574","Ishida, H.; Kashino, S.","Structure of <i>tert</i>-butylammonium hexachlorotellurate(IV)","Acta Crystallographica Section C","1992","48","9","1673","1675","10.1107/S0108270191015147","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","199682","2020-10-21","18:00:00",""
"2000744","8.53","0.002","11.928","0.001","12.118","0.003","90","","103.67","0.02","90","","1198","0.4","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H38 Cl2 Co N2 O12 -","- C10 H38 Cl2 Co N2 O12 -","- C20 H76 Cl4 Co2 N4 O24 -","2","0.5","AS0565","Chen, X.-M.; Mak, T. C. W.","Structure of <i>trans</i>-tetraaquabis(trimethylammonioacetato)cobalt(II) dichloride tetrahydrate","Acta Crystallographica Section C","1992","48","7","1211","1214","10.1107/S0108270191014373","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000762","12.456","0.002","6.735","0.004","16.135","0.003","90","","92.17","0.01","90","","1352.6","0.9","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","GE0291","Kaufmann, M.; Berger, D.; Härter, R.; Hirschi, D.; Bürgi, H.-B.; Raselli, A.; Röhr, C.","Structure of 1-morpholinoanthraquinone at 110 K","Acta Crystallographica Section C","1992","48","7","1262","1265","10.1107/S0108270191014336","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000766","13.82","0.002","6.205","0.001","17.55","0.003","90","","106.06","0.01","90","","1446.2","0.4","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C12 H20 I N O2 -","- C12 H20 I N O2 -","- C48 H80 I4 N4 O8 -","4","1","CD0061","Friesen, R. W.; Kolaczewska, A. E.; Lough, A. J.","<i>trans</i>-5-(<i>n</i>-Heptyl)-4-(1-iodovinyl)-2-oxazolidinone and <i>syn</i>-[4-cyclohexyl-2-iodo-3-(<i>N</i>-tosylamino)-1-buten-4-yl] acetate","Acta Crystallographica Section C","1992","48","7","1275","1279","10.1107/S0108270191014130","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","190730","2020-10-21","18:00:00",""
"2000767","12.233","0.003","13.733","0.003","14.169","0.006","90","","112.75","0.03","90","","2195.1","1.3","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C19 H26 I N O4 S -","- C19 H26 I N O4 S -","- C76 H104 I4 N4 O16 S4 -","4","1","CD0061","Friesen, R. W.; Kolaczewska, A. E.; Lough, A. J.","<i>trans</i>-5-(<i>n</i>-Heptyl)-4-(1-iodovinyl)-2-oxazolidinone and <i>syn</i>-[4-cyclohexyl-2-iodo-3-(<i>N</i>-tosylamino)-1-buten-4-yl] acetate","Acta Crystallographica Section C","1992","48","7","1275","1279","10.1107/S0108270191014130","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","190713","2020-10-21","18:00:00",""
"2000780","12.252","0.003","9.176","0.002","11.974","0.008","90","","115.06","0.03","90","","1219.4","1","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C12 H32 Cl8 N4 O2 Os -","- C12 H32 Cl8 N4 O2 Os -","- C24 H64 Cl16 N8 O4 Os2 -","2","0.5","AB0247","Arrieta, J. M.; Germain, G.; Vlassi, M.; Craciunescu, D. G.; Parrondo Iglesias, E.; Debaerdemaeker, T.","Bis[2-(2-hydroxyethyl)piperazinium] hexachloroosmate(IV) dichloride","Acta Crystallographica Section C","1992","48","7","1305","1307","10.1107/S0108270191014117","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2000789","9.149","0.002","10.934","0.001","12.064","0.001","90","","93.14","0.01","90","","1205","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C10 H18 N2 O3 -","- C10 H18 N2 O3 -","- C40 H72 N8 O12 -","4","1","AS0509","Okabe, N.; Tatsumi, M.; Sasaki, Y.","Structure of <small>DL</small>-desthiobiotin","Acta Crystallographica Section C","1992","48","7","1326","1327","10.1107/S010827019101380X","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000825","13.854","0.001","9.071","0.001","11.808","0.004","90","","92.14","0.01","90","","1482.9","0.5","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H21 N3 O2 -","- C14 H21 N3 O2 -","- C56 H84 N12 O8 -","4","1","AS0547","Yamaguchi, K.; Matsumura, G.; Tanno, M.; Sueyoshi, S.; Miyata, N.","Structure of <i>N</i>-aryl-<i>N</i>-nitrosoureas","Acta Crystallographica Section C","1992","48","6","1051","1054","10.1107/S0108270191012908","","","1.5405","Cu","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000862","7.741","0.001","21.032","0.011","6.05","0.001","90","","99.43","0.01","90","","971.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","9,10-Epoxy-3-hydroxy-1-oxatricyclo[4.4.0^2,9^.0^3,8^]dodecane compound (4)","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","KA1000","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Girardot, S.; Caubère, P.","Structural aspects of reactions based on `aggregative activation': structures of 3-oxatricyclo[6.3.0.0^2,7^]undec-6-en-1-ol and 6,7-epoxy-3-oxatricyclo[6.4.0.0^2,7^]dodecan-1-ol","Acta Crystallographica Section C","1992","48","6","1155","1160","10.1107/S0108270192002993","","","1.54178","CuKα","","","0.0475","","","0.0787","","","","","1.0944","1.0944","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2000962","7.743","0.002","12.43","0.005","12.776","0.005","90","","90.52","0.03","90","","1229.6","0.8","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C13 H12 N2 O S -","- C13 H12 N2 O S -","- C52 H48 N8 O4 S4 -","4","1","BR0004","Tari, L. W.; McKinnon, D. M.; Secco, A. S.","Structure of 5-(1-methyl-2,1-benzisothiazol-3-ylideneamino)-2,4-pentadienal","Acta Crystallographica Section C","1992","48","4","683","686","10.1107/S0108270191010570","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000979","14.389","0.009","13.782","0.01","8.615","0.007","90","","123.01","0.06","90","","1433","2","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C24 H54 P2 Pd -","- C24 H54 P2 Pd -","- C48 H108 P4 Pd2 -","2","0.5","AS0519","Tanaka, M.","Structure of bis(tri-<i>tert</i>-butylphosphine)palladium(0)","Acta Crystallographica Section C","1992","48","4","739","740","10.1107/S0108270191010491","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001005","6.918","0.001","12.27","0.001","9.283","0.001","90","","104.13","0.02","90","","764.14","0.17","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C18 H16 O4 S2 -","- C18 O4 S2 -","- C36 O8 S4 -","2","0.5","AL0473","Olivé, J. L.; Saaedan, A.; El Amoudi, M. S.; Geneste, P.; Rambaud, J.; Declercq, J.-P.","Structure of the head-to-tail <i>cis</i>-<i>anti</i>-<i>cis</i> photodimer of 2-methylbenzo[<i>b</i>]thiophene 1,1-dioxide","Acta Crystallographica Section C","1992","48","3","501","503","10.1107/S0108270191009198","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001059","8.365","0.008","22.654","0.002","13.436","0.005","90","","107.7","0.05","90","","2426","3","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C4 H2 Cl10 N8 O2 P6 -","- C4 H2 Cl10 N8 O2 P6 -","- C16 H8 Cl40 N32 O8 P24 -","4","1","GE0272","van Bolhuis, F.; Meetsma, A.; van de Grampel, J. C.; Brandt, K.","Structure of 2,2'-(2,4-pyrimidinediyldioxy)bis(2,4,4,6,6-pentachloro-1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphorine) at 130 K","Acta Crystallographica Section C","1992","48","2","337","339","10.1107/S0108270191009447","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001062","14.47","0.03","19.749","0.002","17.5","0.02","90","","110.6","0.1","90","","4681","12","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C49 H56 Fe N6 O4 -","- C49 H56 Fe N6 O4 -","- C196 H224 Fe4 N24 O16 -","4","1","MU0257","Goubitz, K.; Schenk, H.","6-(2,6-Dimethylphenylimino)-1,1,1-tris[(2,6-dimethylphenyl)isocyano]-10-methoxycarbonyl-8-oxo-2,5-bis(2-propyl)-9-oxa-2,5-diaza-1-ferratricyclo[5.2.1.0^4,10^]dec-2-ene","Acta Crystallographica Section C","1992","48","2","359","361","10.1107/S0108270191009472","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001070","8.702","0.004","12.063","0.002","9.711","0.004","90","","115.1","0.02","90","","923.1","0.6","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C10 H8 N2 O3 -","- C10 H8 N2 O3 -","- C40 H32 N8 O12 -","4","1","ST0533","Grossie, D. A.; Turnbull, K.","5-Hydroxy-5-methylsydno[3,4-<i>a</i>]indole","Acta Crystallographica Section C","1992","48","2","377","379","10.1107/S0108270191009125","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001119","8.403","0.004","5.405","0.003","33.005","0.016","90","","91.07","0.04","90","","1498.8","1.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C18 H18 N2 O2 -","- C18 H19 N2 O2 -","- C72 H76 N8 O8 -","4","1","AS0500","Ishida, T.; Negi, A.; In, Y.; Inoue, M.","Structure of <i>N</i>-(indol-3-ylethyl)-4-hydroxyphenylacetamide","Acta Crystallographica Section C","1992","48","1","193","194","10.1107/S0108270191009599","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001144","13.381","0.012","8.91","0.009","9.178","0.009","90","","101.27","0.09","90","","1073.1","1.8","80","1","80","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","di-μ-chlorobis[trichloro(allyl acetate-O)]dititanium(IV)","","- C10 H16 Cl8 O4 Ti2 -","- C10 H16 Cl8 O4 Ti2 -","- C20 H32 Cl16 O8 Ti4 -","2","0.5","KA1046","Lis, T.; Utko, J.; Sobota, P.","Structure of di-μ-chloro-bis[(allyl acetate-<i>O</i>)trichlorotitanium(IV)] at 80 K","Acta Crystallographica Section C","1993","49","12","2089","2091","10.1107/S0108270193006110","","","0.7093","MoKα","","","0.0258","","","0.028","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001150","12.76","0.006","5.319","0.004","14.933","0.008","90","","91.05","0.04","90","","1013.3","1.1","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C16 H22 Co O14 -","- C16 H22 Co O14 -","- C32 H44 Co2 O28 -","2","0.5","HU1032","Kariuki, B. M.; Jones, W.","Structure of hexaaquacobalt hydrogen phthalate","Acta Crystallographica Section C","1993","49","12","2100","2102","10.1107/S0108270193005918","","","0.71069","MoKα","","","0.056","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001185","8.431","0.001","20.452","0.003","10.615","0.003","90","","111.42","0.01","90","","1703.9","0.6","298","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H25.44 Br N3 O1.72 -","- C16 H25.44 Br N3 O1.72 -","- C64 H101.76 Br4 N12 O6.88 -","4","1","HA1050","Farrugia, L. J.; Lovatt, P. A.; Peacock, R. D.","Structure of <i>N</i>^1^-(3-phenoxypropyl)-4,7-diaza-1-azoniatricyclo[5.2.1.0^4,10^]decane bromide hydrate","Acta Crystallographica Section C","1993","49","12","2164","2165","10.1107/S0108270193005475","","","0.71069","MoKα","","","0.048","","","0.041","","","","","1.33","1.33","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2001197","17.494","0.007","11.548","0.005","22.21","0.01","90","","93.94","0.01","90","","4476","3","293","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","[tris(aminoethylaminomethyl)amine](trisethylendiamine) dicobalt(III)di(cyclo-triphosphate)octahydrate","","- C17.16 H65.24 Co2 N13.72 O26 P6 -","- C19 H70 Co2 N20 O29 P7 -","- C76 H280 Co8 N80 O116 P28 -","4","1","AL1051","Bacchi, A.; Ferranti, F.; Pelizzi, G.","Structure of two encapsulated cobalt(III) complexes containing <i>cyclo</i>-triphosphate","Acta Crystallographica Section C","1993","49","11","1885","1892","10.1107/S0108270193004263","","","0.7107","Mo/Kα","","0.1404","0.0654","","","0.2034","","","","0.992","1.336","1.336","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001240","12.498","0.004","18.723","0.005","12.68","0.003","90","","100.87","0.02","90","","2913.9","1.4","288","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C33 H28 O8 -","- C33 H28 O8 -","- C132 H112 O32 -","4","1","CD1019","Bormann, L. M.; Baughman, R. G.; Mumba, P.; Meloan, C. E.","Structure of pentaerythritol tetrabenzoate","Acta Crystallographica Section C","1993","49","11","1982","1985","10.1107/S0108270193003579","","","1.54184","CuKα","","","0.052","","","0.033","","","","","2.48","2.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001249","13.317","0.005","7.624","0.001","19.965","0.008","90","","104.15","0.02","90","","1965.5","1.1","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C21 H24 O2 S2 -","- C21 H24 O2 S2 -","- C84 H96 O8 S8 -","4","1","SH1046","Albert, B.; Jansen, M.; Güther, R.; Vögtle, F.","2,11-Dithia[3.3]metacyclophane-9-carboxylic acid <i>tert</i>-butyl ester","Acta Crystallographica Section C","1993","49","11","2002","2003","10.1107/S0108270193004561","","","0.71069","MoKα","","","0.0558","","","0.051","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001251","17.03","0.005","15.03","0.004","8.874","0.004","90","","92.87","","90","","2268.5","1.4","293","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C26 H20 N2 O2 Se2 -","- C26 H20 N2 O2 Se2 -","- C104 H80 N8 O8 Se8 -","4","1","PA1036","Warin, V.; Guelzim, A.; Baert, F.; Galet, V.; Houssin, R.; Lesieur, D.","Structure of bis(2-amino-5-benzoylphenyl) diselenide","Acta Crystallographica Section C","1993","49","11","2005","2007","10.1107/S0108270193003506","","","0.7107","MoKα","","","0.04","","","0.04","","","","","1.93","1.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001255","14.767","0.001","8.243","0.002","15.13","0.001","90","","105.36","0.01","90","","1775.9","0.5","294","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C20 H14 Cl2 O4 -","- C20 H14 Cl2 O4 -","- C80 H56 Cl8 O16 -","4","1","BR1036","Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.","Crystal structure and photochemistry of dimethyl 9,10-dichloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1993","49","11","2014","2018","10.1107/S0108270193004445","","","1.5418","CuKα","","","0.046","","","0.064","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001263","9.12","0.003","15.407","0.001","10.573","0.003","90","","103.96","0.01","90","","1441.8","0.6","293","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","PA1047","Wallet, J.-C.; Gaydou, E. M.; Mas, M.; Molins, E.; Miravitlles, C.","2-(2,3-Dimethoxyphenyl)-6-hydroxy-4<i>H</i>-1-benzopyran-4-one (6-hydroxy-2',3'-dimethoxyflavone)","Acta Crystallographica Section C","1993","49","11","2030","2032","10.1107/S0108270193005177","","","0.71073","MoKα","","","0.053","","","0.084","","","","","3","3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001329","6.644","0.002","14.531","0.003","9.413","0.001","90","","103.57","0.02","90","","883.4","0.3","296","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C8 H9 Cl N4 -","- C8 H9 Cl N4 -","- C32 H36 Cl4 N16 -","4","1","OH1021","Okabe, N.; Fukuda, H.; Nakamura, T.","Structure of hydralazine hydrochloride","Acta Crystallographica Section C","1993","49","10","1844","1845","10.1107/S0108270193003762","","","0.71069","MoKα","","","0.047","","","0.056","","","","","1.61","1.61","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001392","15.158","0.004","8.435","0.002","7.277","0.001","90","","103.52","0.01","90","","904.6","0.3","138","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","CD1028","Xiao, G.; van der Helm, D.; Goerlitz, F. H.; Hider, R. C.; Dobbin, P. S.","Structures of 3-hydroxy-1-(2-methoxyethyl)-2-methyl-4-pyridinone, its hydrochloride and 1-ethyl-3-hydroxy-2-methyl-4-pyridinone hydrochloride hydrate","Acta Crystallographica Section C","1993","49","9","1646","1649","10.1107/S0108270193001313","","","1.54178","CuKα","","","0.036","","","0.047","","","","","1.8","1.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001396","15.531","0.004","18.136","0.006","16.895","0.004","90","","114.67","0.02","90","","4324","2","150","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C17 H36 F3 N O3 S -","- C17.5 H38.5 F3 N O3 S -","- C140 H308 F24 N8 O24 S8 -","8","2","HA1038","Blake, A. J.; Radek, C.; Schröder, M.","Tetra(<i>n</i>-butyl)ammonium trifluoromethanesulfonate","Acta Crystallographica Section C","1993","49","9","1652","1654","10.1107/S0108270193001544","","","0.71073","MoKα","","","0.0557","","","0.0661","","","","","1.342","1.342","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001404","15.776","0.013","8.646","0.003","14.087","0.005","90","","96.05","0.05","90","","1910.8","1.8","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C44 H26 Cl4 N4 -","- C44 H26 Cl4 N4 -","- C88 H52 Cl8 N8 -","2","0.5","AB1038","Hökelek, T.; Ülkü, D.; Gündüz, N.; Hayvali, M.; Kiliç, Z.","5,10,15,20-Tetrakis(<i>p</i>-chlorophenyl)porphyrin","Acta Crystallographica Section C","1993","49","9","1667","1670","10.1107/S0108270193000782","","","1.5418","CuKα","","","0.07","","","0.088","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001409","15.87","0.001","8.061","0.001","14.879","0.001","90","","112.46","0.01","90","","1759.1","0.3","297","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(1R^*^,6aS^*^,14aS^*^,14bR^*^,13E)-6a,14c-Epoxy-1,14a-dimethyl- 1,2,6,6a,7,8,9,10,11,12-decahydro-14aH-3-oxa cyclobuta[a]furo[2,3,4-b,c]cyclopentadecene-4,5-dione","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","AS1054","Yamaguchi, K.; Takeda, K.; Shimotani, A.; Yoshii, E.","Cyclobutane structures fused to a 13-membered ring","Acta Crystallographica Section C","1993","49","9","1680","1683","10.1107/S0108270193002677","","","1.5405","CuKα~1~","","","0.0485","","","0.0478","","","","","1.493","1.493","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2001425","25.05","0.03","6.203","0.002","15.89","0.02","90","","109.6","0.1","90","","2326","4","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C28 H20 N2 O2 S2 -","- C28 H20 N2 O2 S2 -","- C112 H80 N8 O8 S8 -","4","1","MU1033","Fawcett, J.; Kemmitt, R. D. W.; Russell, D. R.; Serindag, O.; Gok, Y.","Structure of <i>o</i>,<i>o</i>'-bis(1-oxo-2,3-dihydro-1<i>H</i>-2-benzopyrrol-2-yl)diphenyl disulfide","Acta Crystallographica Section C","1993","49","8","1434","1436","10.1107/S0108270193003385","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001455","7.3138","0.0005","10.6101","0.0006","21.2238","0.0011","90","","94.443","0.005","90","","1642.02","0.17","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","rel(1S,2R,4R,6S,9S,10R,11S)-4-methoxycarbonyl-1-methyl-tricyclo [7.4.0.0^2,6^]tridec-7-ene-10,11-diol-4,2-carbolactone monohydrate","","- C17 H24 O7 -","- C17 H24 O7 -","- C68 H96 O28 -","4","1","CD1039","Michel, A. G.; Drouin, M.","Functionalized hydrocarbons with condensed ring skeletons. XIII. A substituted 1-methyltricyclo[7.4.0.0^2,6^]tridec-7-ene","Acta Crystallographica Section C","1993","49","8","1500","1502","10.1107/S0108270193001726","","","0.7093","MolybdenumKα","","0.073","0.04","","0.037","0.033","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001476","9.7659","0.0006","21.6128","0.0013","11.104","0.0007","90","","110.56","0.01","90","","2194.4","0.3","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C56 H44 As2 N4 -","- C56 H44 As2 N4 -","- C112 H88 As4 N8 -","2","0.5","CD1008","Aquino, M. A. S.; Crutchley, R. J.; Lee, F. L.; Gabe, E. J.; Bensimon, C.","Structure of 1,4-benzenedicyanamide dianion derivatives","Acta Crystallographica Section C","1993","49","8","1543","1547","10.1107/S0108270193001428","","","0.7093","MoKα","","","0.04","","","0.034","","","","","1.29","1.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001486","14.117","0.002","11.04","0.002","8.828","0.001","90","","106.8","0.02","90","","1317.1","0.4","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C6 H22 Cl2 N4 Ni O2 -","- C6 H22 Cl2 N4 Ni O2 -","- C24 H88 Cl8 N16 Ni4 O8 -","4","1","NA1022","Marzotto, A.; Clemente, D. A.; Valle, G.","Structure of aquachloro[tris(2-aminoethyl)amine]nickel(II) chloride monohydrate","Acta Crystallographica Section C","1993","49","7","1252","1255","10.1107/S0108270193001416","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001520","25.008","0.004","14.045","0.002","17.378","0.003","90","","112.39","0.01","90","","5643.7","1.6","293","","293","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","iucr: bis-μ-(2-{[(diphenylphosphino)propyl](phenyl)phosphino}phenyl)- 1κC^1^:2κ^2^P,P';1κ^2^P,P':2κC^1^-μ-hydroxo-diplatinum(II) tetrafluoroborate bis(dichloromethane) solvate author: μHydroxy-bis(1-(diphenylphosphino)-3-(μ-ortho-phenyl, phenylphosphino)propane platinum(II)) tetrafluoroborate disolvate (solvent=dichloromethane).","","- C56 H55 B Cl4 F4 O P4 Pt2 -","- C56 H55 B Cl4 F4 O P4 Pt2 -","- C224 H220 B4 Cl16 F16 O4 P16 Pt8 -","4","1","CD1032","Bennett, M. A.; Berry, D. E.; Beveridge, K. A.; Browning, J.; Russow, M. P.","μ-Hydroxo diplatinum(II) complex containing bridging cyclometallated 1,3-bis(diphenylphosphino)propane as the tetrafluoroborate salt","Acta Crystallographica Section C","1993","49","7","1320","1322","10.1107/S0108270193000010","","","0.71069","MoKα","","","0.0597","","","0.0619","","","","","1.8532","1.8532","","","","","has coordinates","202202","2020-10-21","18:00:00",""
"2001558","9.609","0.002","5.087","0.001","15.923","0.002","90","","91.74","0.01","90","","778","0.2","296","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H9 N3 O -","- C7 H9 N3 O -","- C28 H36 N12 O4 -","4","1","OH1004","Okabe, N.","Structure of 1-phenylsemicarbazide","Acta Crystallographica Section C","1993","49","7","1402","1404","10.1107/S0108270193000198","","","0.71069","MoKα","","","0.034","","","0.06","","","","","1.96","1.96","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001564","5.886","0.003","10.566","0.006","6.146","0.003","90","","111.6","0.04","90","","355.4","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- B H4 Na O4 -","- B H4 Na O4 -","- B4 H16 Na4 O16 -","4","1","MU1036","Csetenyi, L. J.; Glasser, F. P.; Howie, R. A.","Structure of sodium tetrahydroxyborate","Acta Crystallographica Section C","1993","49","6","1039","1041","10.1107/S0108270193000058","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001583","25.744","0.003","7.889","0.001","7.442","0.001","90","","91.61","0.01","90","","1510.8","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C34 H20 N6 O12 -","- C34 H20 N6 O12 -","- C68 H40 N12 O24 -","2","0.5","CR1016","Zacharias, D. E.","Structures of three electron donor‒acceptor complexes of dibenz[<i>a</i>,<i>h</i>]anthracene (DBA)","Acta Crystallographica Section C","1993","49","6","1082","1087","10.1107/S0108270192013325","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2001585","19.991","0.004","8.324","0.002","7.821","0.002","90","","105.06","0.02","90","","1256.8","0.5","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C36 H18 O6 -","- C36 H18 O6 -","- C72 H36 O12 -","2","0.5","CR1016","Zacharias, D. E.","Structures of three electron donor‒acceptor complexes of dibenz[<i>a</i>,<i>h</i>]anthracene (DBA)","Acta Crystallographica Section C","1993","49","6","1082","1087","10.1107/S0108270192013325","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2001603","10.599","0.002","6.861","0.001","11.889","0.004","90","","100.6","0.2","90","","849.8","0.7","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C5 H6 O2 S3 Se -","- C5 H6 O2 S3 Se -","- C20 H24 O8 S12 Se4 -","4","1","NA1018","Molins, E.; Veciana, J.; Miravitlles, C.","Structure of 2-selenoxoperhydro-2<i>H</i>-thieno[3,4-<i>d</i>][1,3]dithiole 5,5-dioxide","Acta Crystallographica Section C","1993","49","6","1129","1130","10.1107/S0108270193001799","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001622","15.143","0.003","18.277","0.004","15.191","0.003","90","","109.55","0.02","90","","3962","1.5","293","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Racemic Cobalt(III)sepulchrate trichloride monohydrate","(1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]eicosane)cobalt(III)trichloride monohydrate","","- C12 H32 Cl3 Co N8 O -","- C12 H32 Cl3 Co N8 O -","- C96 H256 Cl24 Co8 N64 O8 -","8","2","AL1026","Bacchi, A.; Ferranti, F.; Pelizzi, G.","Structures of two cobalt(III) sepulchrate complexes","Acta Crystallographica Section C","1993","49","6","1163","1169","10.1107/S0108270192012265","","","0.7107","MoKα","","","0.0405","","","0.0416","","","","","2.55","2.55","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001640","16.43","0.004","10.819","0.001","15.536","0.004","90","","105.52","0.01","90","","2660.9","1","296.15","","296.15","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H40 O5 Si -","- C26 H40 O5 Si -","- C104 H160 O20 Si4 -","4","1","AS1027","Kamei, S.; Uchida, A.; Ohashi, Y.; Seto, M.; Morihira, K.; Horiguchi, Y.; Kuwajima, I.","Structure of <i>endo</i>-(5<i>R</i>*,6<i>R</i>*,10<i>R</i>*,11<i>S</i>*)-10-(<i>tert</i>-butyldimethylsiloxy)-5,6,10,11-tetrahydro-5-hydroxy-4,11-dimethoxy-7,7,9-trimethyl-6,10-methano-(7<i>H</i>)-benzocyclononene-8-carbaldehyde","Acta Crystallographica Section C","1993","49","6","1201","1203","10.1107/S0108270192012915","","","1.54184","CuKα","","","0.064","","","0.079","","","","","1.01","1.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001654","9.492","0.002","4.674","0.006","49.39","0.01","90","","93.65","0.02","90","","2187","3","221","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C22 H42 O2 -","- C22 H42 O2 -","- C88 H168 O8 -","4","1","OH1011","Kaneko, F.; Yamazaki, K.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Sato, K.; Suzuki, M.","Structure of the γ phase of erucic acid","Acta Crystallographica Section C","1993","49","6","1232","1234","10.1107/S0108270193000071","","","1.5418","CuKα","","","0.051","","","0.067","","","","","1.52","1.52","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001680","24.113","0.005","11.02","0.005","12.065","0.004","90","","100.07","0.02","90","","3156.6","1.9","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C30 H36 N3 O4 S3 -","- C33.5 H29 N3 O4 S3 -","- C134 H116 N12 O16 S12 -","4","1","AL1031","Evans, D. J.; Hughes, D. L.; Leigh, G. J.; Garcia, G.; Santana, M. D.","Structure of 4,7-bis(4-mercaptobenzoyl)-1-tosyl-1,4,7-triazacyclononane","Acta Crystallographica Section C","1993","49","5","905","908","10.1107/S0108270192012770","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001687","8.005","0.001","13.717","0.002","11.95","0.001","90","","93.42","0.01","90","","1309.8","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C9 H14 N4 Se3 -","- C9 H14 N4 Se3 -","- C36 H56 N16 Se12 -","4","1","AB1012","Billing, D. G.; Ferg, E. E.; Lai, L.-L.; Levendis, D. C.; Reid, D. H.","Structures of 2,3-diethyl-6,7-dihydro-5<i>H</i>-2aλ^4^-selena-2,3,4a,7a-tetraazacyclopent[<i>cd</i>]indene-1(2<i>H</i>),4(3<i>H</i>)-diselone and 1,4-bis(ethylimino)-5,6-dihydro-2,2aλ^4^,3-triselena-4a,6a-diazacyclopenta[<i>cd</i>]pentalene","Acta Crystallographica Section C","1993","49","5","917","921","10.1107/S0108270192011582","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001724","8.054","0.003","16.013","0.01","7.48","0.003","90","","111.28","0.03","90","","898.9","0.8","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C7 H2 Br2 O4 -","- C7 H2 Br2 O4 -","- C28 H8 Br8 O16 -","4","1","MU1003","Kožíšek, J.; Dvorský, A.; Végh, D.; Jakubcová, M.; Ječný, J.","Structure of 4,9-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione, C~7~H~2~Br~2~O~4~","Acta Crystallographica Section C","1993","49","5","990","992","10.1107/S0108270192011454","","","1.54178","CuKα","","","0.0525","","","0.0623","","","","","2.3","2.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001750","13.576","0.004","9.077","0.004","5.543","0.003","90","0.02","91.47","0.01","90","0.01","682.8","0.5","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- B5 H2 Li O9 -","- B5 H2 Li O9 -","- B20 H8 Li4 O36 -","4","1","MU0290","Cárdenas, A.; Solans, J.; Byrappa, K.; Shekar, K. V. K.","Structure of lithium <i>catena</i>-poly[3,4-dihydroxopentaborate-1:5-μ-oxo]","Acta Crystallographica Section C","1993","49","4","645","647","10.1107/S0108270192008217","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001764","9.972","0.001","8.308","0.001","17.01","0.002","90","","97.371","0.004","90","","1397.6","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C16 H15 Fe N3 -","- C16 H15 Fe N3 -","- C64 H60 Fe4 N12 -","4","1","HU1007","Houlton, A.; Ahmet, M. T.; Miller, J. R.; Silver, J.; Slade, E.","Structure of the 2-pyridylhydrazone of ferrocenecarbaldehyde","Acta Crystallographica Section C","1993","49","4","682","684","10.1107/S0108270192009363","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001823","9.792","0.001","8.487","0.001","7.411","0.002","90","","100.43","0.02","90","","605.71","0.19","295","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C2 H8 N O5 P -","- C2 H9 N O5 P -","- C8 H36 N4 O20 P4 -","4","1","PA1020","Averbuch-Pouchot, M.-T.","Structures of glycinium phosphite and glycylglycinium phosphite","Acta Crystallographica Section C","1993","49","4","815","818","10.1107/S0108270192010771","","","0.5608","AgKα","","","0.027","","","0.027","","","","","0.317","0.317","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001832","27.729","0.005","5.0311","0.0007","6.105","0.001","90","","99.57","0.02","90","","839.8","0.2","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C9 H7 N O4 -","- C9 H7 N O4 -","- C36 H28 N4 O16 -","4","1","OH1006","Kageyama, Y.; Iwamoto, T.; Haisa, M.; Kashino, S.","Structure of the photostable form of <i>p</i>-nitrocinnamic acid","Acta Crystallographica Section C","1993","49","4","833","834","10.1107/S0108270192010886","","","1.54178","CuKα","","","0.045","","","0.055","","","","","2.91","2.91","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001837","11.865","0.001","13.8","0.001","10.568","0.001","90","","104.25","0.01","90","","1677.1","0.3","294","","294","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Dimethyl 9-chloro-9,10-dihydro-9,10-ethenoanthracene-11,12- dicarboxylate","","- C20 H15 Cl O4 -","- C20 Cl O4 -","- C80 Cl4 O16 -","4","1","BR1019","Trotter, J.; Yee, V. C.","Structure of dimethyl 9-chloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1993","49","4","846","848","10.1107/S0108270192011880","","","1.54056","CopperKα","","0.078","0.046","","0.058","0.058","","","","","2.2","2.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001866","22.833","0.006","9.37","0.003","11.434","0.004","90","","110.71","0.08","90","","2288.2","1.7","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","GR0209","Hossain, M. B.; Symersky, J.; Neely, S. C.; van der Helm, D.; Magarian, R. A.","Structure of 1-{4-[2-(diethylamino)ethoxy]phenyl}-2-(4-methoxyphenyl)-1-phenylethan-1-ol, the non-steroidal antiestrogen MER25","Acta Crystallographica Section C","1993","49","3","500","504","10.1107/S0108270192007893","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2001871","7.8478","0.0004","20.0952","0.0009","13.3666","0.0003","90","","95.68","0.002","90","","2097.6","0.15","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H28 O8 -","- C22 H28 O8 -","- C88 H112 O32 -","4","1","DU0312","Drouin, M.; Michel-Dewez, N.; Michel, A. G.","Functionalized hydrocarbons with condensed ring skeletons. XI. Tetramethyl tricyclo[8.4.0.0^2,7^]tetradeca-1,8-diene-5,5,12,12-tetracarboxylate and its corresponding tetradec-8-ene","Acta Crystallographica Section C","1993","49","3","514","517","10.1107/S0108270192008151","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","208449","2020-10-21","18:00:00",""
"2001875","17.572","0.01","7.727","0.004","7.398","0.004","90","","101.9","0.04","90","","982.9","0.9","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C28 H14 O6 -","- C28 H14 O6 -","- C56 H28 O12 -","2","0.5","ST1003","Hoier, H.; Zacharias, D. E.; Carrell, H. L.; Glusker, J. P.","Structure of the molecular complex of anthracene with 1,8:4,5-naphthalenetetracarboxylic dianhydride","Acta Crystallographica Section C","1993","49","3","523","526","10.1107/S0108270192007388","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001953","10.975","0.002","19.937","0.003","8.742","0.004","90","","90.4","0.02","90","","1912.8","1","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H22 Cl10 N2 S2 Te2 -","- C32 H22 Cl10 N2 S2 Te2 -","- C64 H44 Cl20 N4 S4 Te4 -","2","0.5","AS1004","Kozawa, K.; Uchida, T.","Structure of benzo[<i>a</i>]phenothiazine pentachlorotellurate(IV)","Acta Crystallographica Section C","1993","49","2","267","270","10.1107/S0108270192005602","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2001980","25.269","0.002","23.347","0.002","8.306","0.002","90","","91.71","0.01","90","","4898","1.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C16 H11 N S -","- C16 H11 N S -","- C256 H176 N16 S16 -","16","4","AS0593","Yoshida, S.; Matsuzawa, H.; Kozawa, K.; Uchida, T.","Structures of benzo[<i>a</i>]phenothiazine and benzo[<i>c</i>]phenothiazine","Acta Crystallographica Section C","1993","49","2","333","336","10.1107/S0108270192005596","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001981","19.703","0.003","5.365","0.002","11.523","0.001","90","","95.48","0.01","90","","1212.5","0.5","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H11 N S -","- C16 H11 N S -","- C64 H44 N4 S4 -","4","1","AS0593","Yoshida, S.; Matsuzawa, H.; Kozawa, K.; Uchida, T.","Structures of benzo[<i>a</i>]phenothiazine and benzo[<i>c</i>]phenothiazine","Acta Crystallographica Section C","1993","49","2","333","336","10.1107/S0108270192005596","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2002022","13.406","0.002","13.346","0.002","6.86","0.002","90","","104.61","0.02","90","","1187.7","0.4","293","2","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","AS1019","Kawata, T.; Okuda, M.; Ohba, S.; Umehara, M.; Honnami, H.; Hishida, S.","Tricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione (I), tetracyclo[9.3.0.0^1,5^.0^5,9^]tetradecane-2,7-dione (II) and <i>cis</i>-<i>cisoid</i>-<i>cis</i>-2,9-epoxy-9-methyltricyclo[9.3.0.0^4,8^]tetradecan-2-ol (III)","Acta Crystallographica Section C","1993","49","2","410","413","10.1107/S0108270192009491","","","0.71073","MoKα","","","0.05","","","0.046","","","","","1.54","1.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002053","12.002","0.002","11.013","0.002","12.652","0.003","90","","106.24","0.03","90","","1605.6","0.6","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 O3 -","- C20 H20 O3 -","- C80 H80 O12 -","4","1","CD0080","Alex, G.; Srinivasan, S.; Krishnasamy, V.; Suresh, R. V.; Iyer, R.; Iyer, P. R.","Structure of a chalcone","Acta Crystallographica Section C","1993","49","1","70","72","10.1107/S0108270192006152","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2002441","14.432","0.003","5.833","0.001","20.79199","0.003","90","","110.02","","90","","1644.5","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Barium tetraoxodiindate","","- Ba In2 O4 -","- Ba In2 O4 -","- Ba16 In32 O64 -","16","4","","Lalla, A; Mueller-Buschbaum, Hk","Zur Verbindungsbildung Me O:M2 O3. XI Die Kristallstruktur von Ba In2 O4","Journal of the Less-Common Metals","1989","154","","233","241","10.1016/0022-5088(89)90209-9","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002495","5.788","0.002","13.222","0.004","7.242","0.002","90","","112.98","0.02","90","","510.2","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Tetrabarium triiridium(IV) oxide","","- Ba4 Ir3 O10 -","- Ba4 Ir3 O10 -","- Ba8 Ir6 O20 -","2","0.5","","Wilkens, J; Mueller-Buschbaum, Hk","Zur Kenntnis von Ba4 Ir3 O10","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","592","","79","83","10.1002/zaac.19915920109","","","","","","0.0485","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002620","24.64729","0.0081","7.7347","0.0083","5.6375","0.0029","90","","103.16","0.03","90","","1046.5","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Dibarium bismuth vanadate divanadate","","- Ba2 Bi O11 V3 -","- Ba2 Bi O11 V3 -","- Ba8 Bi4 O44 V12 -","4","1","","Boje, J; Mueller-Buschbaum, Hk","Ba2 Bi V3 O11 mit Bismut in geschlossener Koordination","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","525","528","10.1002/zaac.19936190316","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002708","16.60898","0.009","5.056","0.004","8.95","0.006","90","","117.08","0.05","90","","669.2","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Calcium copper arsenate (1.5/1.5/2)","","- As2 Ca1.5 Cu1.5 O8 -","- As2 Ca1.5 Cu1.5 O8 -","- As8 Ca6 Cu6 O32 -","4","1","","Osterloh, D; Mueller-Buschbaum, Hk","Zur Kenntnis eines Calcium-Kupfer-Orthoarsenats: Ca1.5 Cu1.5 (As O4)2","Journal of Alloys Compd.","1994","206","","155","158","10.1016/0925-8388(94)90027-2","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002810","6.8425","0.0015","14.636","0.004","7.46","0.002","90","","116.02","0.02","90","","671.4","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Barium oxovanadium diarsenate(V)","","- As2 Ba O8 V -","- As2 Ba O8 V -","- As8 Ba4 O32 V4 -","4","1","","Mueller-Buschbaum, Hk; Wadewitz, C","Ba (V O) As2 O7, ein Vanadyl-Diarsenat mit Schichtstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","84","88","10.1002/zaac.19976230115","","","","","","0.0336","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002971","8.3506","0.0009","18.0102","0.0017","9.636","0.0014","90","","110.869","0.008","90","","1354.1","0.3","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","4,4'-Sulfonyldiphenol-pyrazine (2/1)","","- C28 H24 N2 O8 S2 -","- C28 H24 N2 O8 S2 -","- C56 H48 N4 O16 S4 -","2","0.5","CF0004","Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.","Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1)","Acta Crystallographica, Section B: Structural Science","1999","55","4","573","590","10.1107/S0108768199002645","","","0.7107","MoKα","","0.0489","0.0356","","","","0.0966","","","","","","1.035","","","","has coordinates,has Fobs","209626","2020-10-21","18:00:00",""
"2003024","12.083","0.004","18.854","0.006","10.76","0.003","90","","107.29","0.03","90","","2340.5","1.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-phenyl-4-hydroxyphthalazin-1-one","2,3-dihydro-2-phenyl-1,4-phthalazinedione","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","2","MU1320","Becker, Dan; Botoshansky, Mark; Gasper, Noga; Herbstein, Frank H.; Karni, Miriam","2-Phenyl-4-hydroxyphthalazin-1-one: A Benzoannelated Derivative of Maleic Hydrazide","Acta Crystallographica Section B","1998","54","5","671","676","10.1107/S0108768197015760","","","0.71069","MoKα","","0.0802","0.05","","0.1324","0.1131","","","","1.009","1.072","1.072","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003185","9.685","0.003","7.128","0.002","13.572","0.004","90","","99.78","0.02","90","","923.3","0.5","293","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C7 H9 F3 N2 O2 -","- C7 H9 F3 N2 O2 -","- C28 H36 F12 N8 O8 -","4","1","","Tinant, Bernard; Declercq, Jean-Paul; Bouillon, Jean-Philippe","Oxime of 1-Methyl-3-trifluoroacetylpyrrolidin-2-one","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","270","272","10.1107/S0108270194010930","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003231","12.457","0.003","9.828","0.002","12.588","0.002","90","","106.79","0.02","90","","1475.4","0.5","293","","293","","","","","","","","synthesised by authors","3","P 1 21/a 1","-P 2yab","14","tetramethyl-4,7-dioxadecanedioic acid","2,2,9,9-tetramethyl-4,7-dioxadecanedioic acid","","- C12 H22 O6 -","- C12 H22 O6 -","- C48 H88 O24 -","4","1","AB1215","Ferguson, G.; Gallagher, J. F.; McAlees, A. J.","Ligands for Application in Coordination Chemistry: Three Dicarboxylic Acids","Acta Crystallographica Section C","1995","51","3","454","458","10.1107/S0108270194010000","","","0.71067","MolybdenumKα","","0.097","0.038","","0.061","0.052","","","","","1.35","1.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003269","14.257","0.002","7.2001","0.0008","12.871","0.001","90","","108.88","0.01","90","","1250.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-hydroxy-5,6-dihydro-12-azabenzo[a]anthracene-N-oxide","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","KA1078","Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.","Hindered Cavity-Shaped <i>N</i>-Oxides","Acta Crystallographica Section C","1995","51","3","458","461","10.1107/S0108270194003665","","","1.54178","CuKα","","0.0605","0.0421","","0.1244","0.1112","","","","1.109","1.159","1.159","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003310","10.127","0.002","4.87","0.002","15.811","0.002","90","","106.61","0.01","90","","747.2","0.4","296","","","","","","","","","","evaporation from 50% ethanol","3","P 1 21/a 1","-P 2yab","14","","","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","AS1128","Okabe, N.; Kohyama, Y.","Homogentisic Acid","Acta Crystallographica Section C","1995","51","4","761","763","10.1107/S0108270194010176","","","0.71069","MoKα","","","0.051","","","0.049","","","","","1.47","1.47","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003349","8.205","0.002","14.321","0.005","12.838","0.004","90","","107.73","0.02","90","","1436.9","0.8","293","","","","","","","","","","Phillips (1959)","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","HR1008","Özbey, S.; Kendi, E.; İde, S.; Mak, T. C. W.","2-Methyl-2-(2-methylphenylazo)-1,3-indandione","Acta Crystallographica Section C","1995","51","4","707","709","10.1107/S010827019400867X","","","0.71073","MoKα","","","0.0529","","","0.0565","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003352","9.475","0.001","8.57","0.001","9.194","0.001","90","","97.43","0.009","90","","740.29","0.14","293","","","","","","","","","","recrystallized from CH~2~Cl~2~","4","P 1 21/a 1","-P 2yab","14","","","","- C8 H16 I2 S4 -","- C8 H12 I2 S4 -","- C16 H24 I4 S8 -","2","0.5","HU1090","Baker, P. K.; Harris, S. D.; Durrant, M. C.; Hughes, D. L.; Richards, R. L.","Preparation and Structural Characterization of the Charge-Transfer Complex (12[ane]S~4~.I~2~)~{∞~} (12[ane]S~4~ = 1,4,7,10-Tetrathiacyclododecane)","Acta Crystallographica Section C","1995","51","4","697","700","10.1107/S0108270194010267","","","0.71069","MoKα","","","0.047","","","0.061","","","","","0.66","0.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003381","16.031","0.003","16.036","0.002","16.821","0.003","90","","113.74","0.01","90","","3958.3","1.2","294","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H23 Cl4 O3 Rh S3 -","- C9 H23 Cl4 O3 Rh S3 -","- C72 H184 Cl32 O24 Rh8 S24 -","8","2","NA1100","Calligaris, M.; Faleschini, P.","Dimethylacetonylsulfonium Tetrachlorobis(dimethyl sulfoxide-<i>S</i>)rhodate(III)","Acta Crystallographica Section C","1995","51","4","588","591","10.1107/S0108270194010425","","","0.71069","MoKα","","","0.033","","","0.035","","","","","0.389","0.389","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003434","13.588","0.002","8.286","0.001","14.683","0.002","90","","110.51","0.01","90","","1548.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","JM216","Bis(acetato)-ammine-dichloro-cyclohexylamine platinum(IV)","","- C10 H22 Cl2 N2 O4 Pt -","- C10 H22 Cl2 N2 O4 Pt -","- C40 H88 Cl8 N8 O16 Pt4 -","4","1","CR1156","Neidle, S.; Snook, C. F.; Murrer, B. A.; Barnard, C. F. J.","Bis(acetato)amminedichloro(cyclohexylamine)platinum(IV), an Orally Active Anticancer Drug","Acta Crystallographica Section C","1995","51","5","822","824","10.1107/S0108270194013600","","","1.54051","CuKα","","0.0417","0.037","","0.1147","0.111","","","","0.971","0.981","0.981","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003441","16.095","0.001","8.49","0.001","16.907","0.0001","90","0.01","116.104","0.001","90","0.01","2074.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","m-Anisidinium Dihydrogenomonophosphate","","- C7 H12 N O5 P -","- C7 H12 N O5 P -","- C56 H96 N8 O40 P8 -","8","2","DU1098","Ould Abdellahi, M.; Jouini, T.","<i>m</i>-Anisidinium Dihydrogenmonophosphate","Acta Crystallographica Section C","1995","51","5","924","926","10.1107/S0108270194011558","","","0.71069","MoKα","","0.0727","0.0484","","0.1064","0.1013","","","","1.282","1.42","1.42","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003443","9.3781","0.0005","8.2216","0.0006","13.5971","0.0006","90","","104.903","0.004","90","","1013.11","0.1","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","para-Anisidinium Dihydrogénophosphate","","- C7 H12 N O5 P -","- C7 H12 N O5 P -","- C28 H48 N4 O20 P4 -","4","1","DU1105","Ben Amor, F.; Soumhi, E. H.; Ould Abdellahi, M.; Jouini, T.","<i>p</i>-Anisidinium Dihydrogénophosphate","Acta Crystallographica Section C","1995","51","5","933","935","10.1107/S0108270194014289","","","0.71069","MoKα","","0.0441","0.0394","","0.106","0.1033","","","","1.13","1.164","1.164","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003456","8.6449","0.001","9.9416","0.001","12.892","0.002","90","","94.96","0.09","90","","1103.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Potassium 4-Sulfonatobenzoic acid dihydrate","","- C7 H9 K O7 S -","- C7 H9 K O7 S -","- C28 H36 K4 O28 S4 -","4","1","HU1119","Kariuki, B. M.; Jones, W.","Three Polymorphs of Potassium 4-Sulfonatobenzoic Acid","Acta Crystallographica Section C","1995","51","5","867","871","10.1107/S0108270194012485","","","0.71069","MoKα","","0.0583","0.0335","","0.0859","0.0812","","","","1.063","1.221","1.221","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003527","6.137","0.001","19.405","0.002","7.187","0.001","90","","104.72","0.01","90","","827.8","0.2","296","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H6 N2 O2 S -","- C8 H6 N2 O2 S -","- C32 H24 N8 O8 S4 -","4","1","BK1050","Gallucci, J. C.; Mathur, N.; Shechter, H.","(<i>Z</i>)-5-(2-Thienylmethylene)-2,4-imidazolidinedione","Acta Crystallographica Section C","1995","51","6","1221","1223","10.1107/S0108270194014137","","","0.71069","MoKα","","","0.041","","","0.046","","","","","1.65","1.65","","","","","has coordinates,has disorder","200210","2020-10-21","18:00:00",""
"2003557","9.495","0.004","7.421","0.001","11.151","0.003","90","","90.71","0.02","90","","785.7","0.4","102","","","","","","","","","","see text","3","P 1 21/a 1","-P 2yab","14","","","","- C6 H15 P -","- C6 H15 P -","- C24 H60 P4 -","4","1","HR1047","Bruckmann, J.; Krüger, C.","Trimethylphosphine and Triethylphosphine in the Solid State","Acta Crystallographica Section C","1995","51","6","1155","1158","10.1107/S0108270194014368","","","0.71069","MoKα","","","0.059","","","0.068","","","","","4.7","4.7","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003560","14.506","0.004","3.7329","0.001","19.245","0.003","90","","91.45","0.02","90","","1041.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Sodium o-chloro-trans-cinnamate dihydrate","","","- C9 H10 Cl Na O4 -","- C9 H10 Cl Na O4 -","- C36 H40 Cl4 Na4 O16 -","4","1","HU1125","Kariuki, B. M.; Valim, J. B.; Jones, W.; King, J.","Sodium 3-(2-Chlorophenyl)propenoate Dihydrate and Tetraaquamagnesium Bis[3-(2-hydroxyphenyl)propenoate]","Acta Crystallographica Section C","1995","51","6","1051","1053","10.1107/S0108270194012503","","","0.71069","MoKα","","0.0461","0.034","","0.1037","0.0943","","","","1.067","1.156","1.156","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003567","23.198","0.03","6.918","0.01","24.963","0.03","90","","96.65","0.09","90","","3979","9","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Bis(berberine) sulphate heptadydrate","","","- C40 H50 N2 O19 S -","- C40 H50 N2 O19 S -","- C160 H200 N8 O76 S4 -","4","1","HU1131","Kariuki, B. M.; Jones, W.","Five Salts of Berberine","Acta Crystallographica Section C","1995","51","6","1234","1240","10.1107/S010827019401259X","","","0.71069","MoKα","","0.2867","0.0764","","0.2046","0.1649","","","","0.732","1.321","1.321","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2003601","7.838","0.004","15.318","0.004","8.84","0.004","90","","116.22","0.04","90","","952.1","0.8","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H7 N O3 -","- C11 H7 N O3 -","- C44 H28 N4 O12 -","4","1","SE1071","Steiner, T.","<i>N</i>-(Propargyloxy)phthalimide","Acta Crystallographica Section C","1995","51","6","1135","1136","10.1107/S0108270194012941","","","1.54184","CuKα","","","0.049","","","0.049","","","","","1","1","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003625","7.487","0.002","15.47","0.007","8.131","0.007","90","","109.55","0.03","90","","887.5","0.9","293","2","293","2","","","","","","","Lab. of Medicinal Chemistry, Li\`ege","5","P 1 21/a 1","-P 2yab","14","","3-amino-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide monohydrate","","- C6 H8 N4 O3 S -","- C6 H8 N4 O3 S -","- C24 H32 N16 O12 S4 -","4","1","AB1238","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3-Amino-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate and 3-<i>tert</i>-Butyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1995","51","7","1385","1388","10.1107/S0108270195000278","","","1.5418","CuKα","","0.0466","0.0342","","0.1035","0.1002","","","","1.062","1.173","1.173","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003626","9.802","0.009","11.682","0.009","10.384","0.016","90","","108","0.1","90","","1131","2","293","2","293","2","","","","","","","Lab. of Medicinal Chemistry, Li\`ege","5","P 1 21/a 1","-P 2yab","14","","3-tert butyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C40 H52 N12 O8 S4 -","4","1","AB1238","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3-Amino-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate and 3-<i>tert</i>-Butyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1995","51","7","1385","1388","10.1107/S0108270195000278","","","1.5418","CuKα","","0.0489","0.0443","","0.1297","0.1276","","","","1.103","1.16","1.16","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003640","11.44","0.004","9.11","0.007","13.51","0.009","90","","90.8","0.3","90","","1407.9","1.5","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","BK0003","Akama, Y.; Shiro, M.; Ueda, T.; Kajitani, M.","Keto and Enol Tautomers of 4-Benzoyl-3-methyl-1-phenyl-5(2<i>H</i>)-pyrazolone","Acta Crystallographica Section C","1995","51","7","1310","1314","10.1107/S0108270194007389","","","0.7107","MoKα","","","0.063","","","0.077","","","","","2.19","2.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003646","9.248","0.002","16.521","0.004","10.359","0.002","90","","109.31","0.01","90","","1493.7","0.6","294","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","CR1149","Wireko, F. C.; Matthews, R. S.; Thoman, S. M.; Hennes, D. H.; Sickman, L. H.","An Unexpected Intermediate in the Synthesis of Substituted Pyridones","Acta Crystallographica Section C","1995","51","7","1404","1407","10.1107/S0108270195001259","","","1.5406","CuKα","","","0.052","","","0.035","","","","","2.43","2.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003668","8.537","0.004","13.936","0.002","12.839","0.003","90","","92.92","0.03","90","","1525.5","0.8","140","2","140","2","","","","","","","Aldrich","4","P 1 21/a 1","-P 2yab","14","chloroxylenol","4-chloro-3,5-dimethylphenol","","- C8 H9 Cl O -","- C8 H9 Cl O -","- C64 H72 Cl8 O8 -","8","2","HU1115","Cox, P. J.","Chloroxylenol, C~8~H~9~ClO","Acta Crystallographica Section C","1995","51","7","1361","1364","10.1107/S0108270194012588","","","0.71069","MoKα","","0.0483","0.0407","","0.1001","0.0979","","","","0.99","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003690","14.611","0.002","5.423","0.006","12.191","0.002","90","","96.89","0.01","90","","959","1.1","297","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H9 N O -","- C11 H9 N O -","- C44 H36 N4 O4 -","4","1","KH1007","Suh, M. C.; Kim, S. N.; Lee, H. J.; Shim, S. C.; Suh, I.-H.; Lee, J.-H.; Park, J.-R.","6-(2-Pyridyl)-3,5-hexadiyn-1-ol","Acta Crystallographica Section C","1995","51","7","1416","1418","10.1107/S0108270195001089","","","0.71073","MoKα","","","0.0664","","","0.0633","","","","","2.713","2.713","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003695","12.37","0.001","5.977","0.001","13.909","0.001","90","","113.1","0.01","90","","945.9","0.2","291","1","291","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,2'-Selenobispyridine","","- C10 H8 N2 Se -","- C10 H8 N2 Se -","- C40 H32 N8 Se4 -","4","1","KH1016","Dunne, S. J.; von Nagy-Felsobuki, E. I.; Mackay, M. F.","2,2'-Oxybispyridine and 2,2'-Selenobispyridine","Acta Crystallographica Section C","1995","51","7","1454","1457","10.1107/S010827019500014X","","","1.5418","CopperKα","","","0.041","","","0.056","","","","","3.71","3.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003735","12.328","0.004","8.596","0.004","13.294","0.005","90","","97.21","0.03","90","","1397.6","1","295","","","","","","","","","","see text","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H14 N2 O8 S U -","- C9 N2 O8 S U -","- C36 N8 O32 S4 U4 -","4","1","AB1210","Thuéry, P.; Keller, N.; Lance, M.; Vigner, J.-D.; Nierlich, M.","Bis(<i>N</i>,<i>N</i>-dimethylformamide)(μ-sulfato)dioxouranium(VI)","Acta Crystallographica Section C","1995","51","8","1526","1529","10.1107/S0108270194014411","","","0.71073","MoKα","","","0.035","","","0.043","","","","","1.2","1.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003751","14.212","0.003","17.39","0.004","14.84","0.001","90","","96.1","0.01","90","","3646.9","1.2","193","","","","","","","","","","THF/heptane","6","P 1 21/a 1","-P 2yab","","","","","- C46 H28 F3 Fe N4 O2 -","- C46.57 H28 F1.71 Fe N4 O3 -","- C186.28 H112 F6.84 Fe4 N16 O12 -","4","1","BK0001","Moy, S. A.; González, J. A.; Wilson, L. J.","Molecular Stereochemistry of [Fe^III^(TPP)(OCOCF~3~)]","Acta Crystallographica Section C","1995","51","8","1490","1494","10.1107/S010827019401334X","","","0.71073","MoKα","","","0.064","","","0.083","","","","","1.95","1.95","","","","","has coordinates","192016","2020-10-21","18:00:00",""
"2003811","11.002","0.006","8.857","0.004","12.246","0.005","90","","91.38","0.03","90","","1193","1","293","","","","","","","","","","see text","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 As I -","- C12 H10 As I -","- C48 H40 As4 I4 -","4","1","MU1163","Begley, M. J.; Sowerby, D. B.; Silaghi-Dumitrescu, L.","Diphenylarsenic(III) Iodide","Acta Crystallographica Section C","1995","51","8","1632","1634","10.1107/S0108270195001466","","","0.71073","MoKα","","","0.039","","","0.045","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003840","14.078","0.003","9.473","0.002","14.899","0.003","90","","79.51","0.03","90","","1953.7","0.7","293","","293","","","","","","","","grown from heptane solution","4","P 1 21/a 1","-P 2yab","14","Spiro[azatricycloundecane-naphthoxazine]","8-methyl-spiro[syn-10,11-benzo-8-azatricyclo[5,2,2,0^1,5^] undecane-9-3'[3H]naphth[1,2b][1,4]oxazine","","- C26 H24 N2 O -","- C26 H24 N2 O -","- C104 H96 N8 O4 -","4","1","PA1155","Pèpe, G.; Laréginie, P.; Samat, A.; Guglielmetti, R.; Zaballos, E.","8-Methylspiro(<i>syn</i>-10,11-benzo-8-azatricyclo[5.2.2.0^1,5^]undec-10-ene)-9,3'-[3<i>H</i>]naphth[1,2-<i>b</i>][1,4]oxazine","Acta Crystallographica Section C","1995","51","8","1617","1619","10.1107/S0108270195000205","","","1.5418","CuKα","","0.0442","0.0442","","0.0442","0.0442","","","","","0.71","0.71","","","","","has coordinates","198477","2020-10-21","18:00:00",""
"2003879","8.871","0.002","7.397","0.002","20.393","0.004","90","","93.83","0.02","90","","1335.2","0.5","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H20 N4 O4 -","- C9 H20 N4 O4 -","- C36 H80 N16 O16 -","4","1","CR1118","Zhou, K.-J.; Di Maio, G.; Portalone, G.; Li, S.","4-Acetamidocyclohexanone Semicarbazone Dihydrate","Acta Crystallographica Section C","1995","51","9","1844","1846","10.1107/S0108270195002137","","","0.71069","MoKα","","","0.064","","","0.066","","","","","1.79","1.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003943","11.576","0.002","10.6933","0.0007","11.582","0.002","90","","101.448","0.009","90","","1405.2","0.4","293","2","293","2","","","","","","","Laboratory of Medicinal Chemistry, Li\`ege","4","P 1 21/a 1","-P 2yab","14","","2-Cyanoimino-5,5-diphenyl-4-imidazolinone Monohydrate","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C64 H56 N16 O8 -","4","1","PA1170","Dupont, L.; Masereel, B.; Lambert, D.; Scriba, G.","2-Cyanoimino-5,5-diphenyl-4-imidazolinone Monohydrate","Acta Crystallographica Section C","1995","51","9","1901","1903","10.1107/S0108270195001661","","","1.5418","CuKα","","0.0467","0.0347","","0.1063","0.1025","","","","1.073","1.192","1.192","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003959","14.98","0.002","6.05","0.002","13.31","0.002","90","","101.21","0.07","90","","1183.3","0.5","295","","","","","","","","","","Synthesized locally","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 N2 O5 S -","- C10 H12 N2 O5 S -","- C40 H48 N8 O20 S4 -","4","1","AB1088","Mukherjee, K.; Banerjee, T.; Roychowdhury, P.; Yamane, T.","<i>N</i>-Benzenesulfonylglycylglycine, (I), and Tetrakis(μ-<i>N</i>-benzenesulfonylglycylglycinato)bis[aquacopper(II)](<i>Cu</i>—<i>Cu</i>)‒Water (1/4), (II)","Acta Crystallographica Section C","1995","51","10","2025","2028","10.1107/S0108270194005214","","","1.5418","CuKα","","","0.0615","","","0.0567","","","","","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003961","15.665","0.001","16.352","0.003","17.252","0.001","90","","95.725","0.007","90","","4397.1","0.9","298","3","","","","","","","","","synthesis","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H32 Cl2 N4 Ni O8 -","- C14 H32 Cl2 N4 Ni O8 -","- C112 H256 Cl16 N32 Ni8 O64 -","8","2","AB1193","Tahirov, T. H.; Lu, T.-H.; Liu, G.-S.; Chi, T.-Y.; Chung, C.-S.","[(5<i>SR</i>,7<i>RS</i>,12<i>RS</i>,14<i>RS</i>)-5,7,12,14-Tetramethyl-1,4,8,11-tetraazacyclotetradecane]nickel(II) Diperchlorate","Acta Crystallographica Section C","1995","51","10","2018","2020","10.1107/S0108270195004458","","","0.71073","MoKα","","","0.048","","","0.058","","","","","1.38","1.38","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003968","11.101","0.002","8.6795","0.0007","14.648","0.002","90","","100.457","0.011","90","","1387.9","0.3","294","1","294","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-Ferrocenylquinoxaline","","- C18 H14 Fe N2 -","- C18 H14 Fe N2 -","- C72 H56 Fe4 N8 -","4","1","AB1268","Ferguson, G.; Glidewell, C.; Scott, J. P.","2-Ferrocenylquinoxaline","Acta Crystallographica Section C","1995","51","10","1989","1991","10.1107/S0108270195004094","","","0.7107","MoKα","","0.0598","0.0347","","0.0962","0.0901","","","","1.042","1.167","1.167","","","","","has coordinates","192281","2020-10-21","18:00:00",""
"2004032","6.922","0.001","12.297","0.001","6.922","0.001","90","","113.85","0.01","90","","538.89","0.13","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H8 Cu N6 O8 -","- C6 H8 Cu N6 O8 -","- C12 H16 Cu2 N12 O16 -","2","0.5","MU1175","Simonsen, O.; la Cour, A.","A Copper‒Nitromalonamide Complex","Acta Crystallographica Section C","1995","51","10","2006","2008","10.1107/S0108270195005270","","","0.71073","MoKα","","0.031","0.027","","0.027","0.027","","","","7.287","7.678","7.678","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004043","13.544","0.003","6.8416","0.0008","14.2204","0.0006","90","","94.044","0.008","90","","1314.4","0.3","150","2","150","2","","","","","","","Chemical synthesis","5","P 1 21/a 1","-P 2yab","14","","trimethyl[(trimethylstannyl)methyl]ammoniumiodide","","- C7 H20 I N Sn -","- C7 H20 I N Sn -","- C28 H80 I4 N4 Sn4 -","4","1","NA1164","Cox, P. J.; Wardell, J. L.","Trimethyl[(trimethylstannyl)methyl]ammonium Iodide","Acta Crystallographica Section C","1995","51","10","2037","2039","10.1107/S0108270195004495","","","0.71069","MoKα","","0.0395","0.034","","0.096","0.086","","","","0.92","0.979","0.979","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004114","13.049","0.001","10.411","0.001","12.317","0.003","90","","105.5","0.1","90","","1612.4","0.9","293","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H24 O5 -","- C16 H24 O5 -","- C64 H96 O20 -","4","1","CR1184","Selladurai, S.; Subramanian, K.; Lakshmi, S.; Rajagopalan, K.; Chen, Y. S.; Yang, J.; Narasinga Rao, S.","5,5-Dimethyl-1,3-dioxacyclohexane-2-spiro(2',γ-dimethyl-3'-oxo-2'-cyclohexaneacrylic Acid)","Acta Crystallographica Section C","1995","51","11","2424","2426","10.1107/S0108270195005555","","","0.71073","MoKα","","","0.05","","","0.062","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004134","13.363","0.003","12.802","0.002","10.828","0.002","90","","107.04","0.02","90","","1771.1","0.6","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H20 Fe O6 -","- C16 H20 Fe O6 -","- C64 H80 Fe4 O24 -","4","1","JZ1034","Solans, X.; Font-Bardia, M.","3,4-Bis(<i>tert</i>-butoxy)-2,4-cyclopentadien-1-one and its <i>fac</i>-Tricarbonyliron(0) Complex","Acta Crystallographica Section C","1995","51","11","2255","2258","10.1107/S0108270195003039","","","0.71069","MoKα","","","0.048","","","0.124","","","","","0.972","0.972","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004167","7.75","0.004","13.131","0.006","10.912","0.003","90","","91.22","0.03","90","","1110.2","0.8","173","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Br2 O2 -","- C10 H10 Br2 O2 -","- C40 H40 Br8 O8 -","4","1","NA1173","Li, S.; Lundquist, K.; Soubbotin, N.; Stomberg, R.","2-Bromo-4-[2-bromo-(<i>E</i>)-propylidene]-6-methoxy-2,5-cyclohexadien-1-one","Acta Crystallographica Section C","1995","51","11","2366","2369","10.1107/S0108270195006317","","","0.71073","MoKα","","","0.029","","","0.031","","","","","1.19","1.19","","","","","has coordinates,has disorder","192026","2020-10-21","18:00:00",""
"2004180","12.641","0.002","5.5304","0.001","13.615","0.003","90","","105.847","0.015","90","","915.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","3,7-Dimethyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide inner salt","","- C8 H9 N3 O2 S -","- C8 H9 N3 O2 S -","- C32 H36 N12 O8 S4 -","4","1","PA1192","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3,7-Dimethyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Zwitterion","Acta Crystallographica Section C","1995","51","11","2414","2416","10.1107/S010827019500802X","","","1.5418","CuKα","","0.0636","0.0454","","0.1281","0.1208","","","","0.948","1.063","1.063","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004203","12.421","0.008","12.67","0.007","18.45","0.009","90","","95.48","0.05","90","","2890","3","298","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C30 H48 N2 O -","- C30 H48 N2 O -","- C120 H192 N8 O4 -","4","1","AS1196","Satake, K.; Hattori, T.; Kimura, M.; Kashino, S.","<i>N</i>-Acetyl-3,6-di-<i>tert</i>-butyl-2-(3,6-di-<i>tert</i>-butyl-3<i>H</i>-azepin-2-yl)-2,3-dihydro-1<i>H</i>-azepine","Acta Crystallographica Section C","1995","51","12","2707","2710","10.1107/S0108270195008833","","","0.71073","MoKα","","","0.047","","","0.03","","","","","1.33","1.33","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004282","9.076","0.004","9.925","0.003","11.833","0.003","90","","109.61","0.02","90","","1004.1","0.6","294","","294","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Z)-3-[(Methoxycarbonyl)methylene]-1,6-dimethyl-2,6-diazabicyclo [2.2.0]hexan-5-one","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C36 H48 N8 O12 -","4","1","KH1034","Kakuda, H.; Takahashi, Y.; Hirokami, S.-i.","(<i>E</i>)- and (<i>Z</i>)-Enamine Dewar Pyrimidinones","Acta Crystallographica Section C","1995","51","12","2647","2650","10.1107/S0108270195005841","","","0.7107","MoKα","","","0.037","","","0.057","","","","","1.39","1.39","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2004285","14.002","0.003","9.0989","0.0006","15.413","0.004","90","","114.24","0.01","90","","1790.5","0.6","298","2","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H23 N2 O P S3 -","- C14 H23 N2 O P S3 -","- C56 H92 N8 O4 P4 S12 -","4","1","KH1044","Bottle, S. E.; Bott, R. C.; Smith, G.; Wermuth, U. D.; Kennard, C. H. L.","Novel Six- and Eight-Membered Heterocycles. A Trithiadiazaphosphorinane and a Pentathiadiazaphosphocine","Acta Crystallographica Section C","1995","51","12","2633","2637","10.1107/S0108270195009188","","","0.71073","MoKα","","","0.0367","","0.1133","","","","","0.959","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004293","11.772","0.005","9.346","0.003","17.186","0.008","90","0.03","91.7","0.04","90","0.03","1890","1.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-hydroxyethyl)N-dihydroxyethylammonium 2-(2,6-dichlorophenylamino)phenylacetate","","- C18 H22 Cl2 N2 O4 -","- C18 H22 Cl2 N2 O4 -","- C72 H88 Cl8 N8 O16 -","4","1","NA1170","Castellari, C.; Ottani, S.","Anti-Inflammatory Drugs. II. Salt of 2-(2,6-Dichlorophenylamino)phenylacetic Acid with Diethanolamine","Acta Crystallographica Section C","1995","51","12","2612","2615","10.1107/S010827019500730X","","","0.71069","MoKα","","0.1163","0.0344","","0.0998","0.0773","","","","1.006","1.125","1.125","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004315","10.55","0.001","9.071","0.002","15.146","0.002","90","","103.37","0.01","90","","1410.2","0.4","213","","213","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C13 H15 Cl N2 O2 S -","- C13 H15 Cl N2 O2 S -","- C52 H60 Cl4 N8 O8 S4 -","4","1","PT1026","Chai, C. L. L.; Hockless, D. C. R.","<i>trans</i>-3-(<i>p</i>-Chlorophenylthio)-1,4,6-trimethylpiperazine-2,5-dione","Acta Crystallographica Section C","1995","51","12","2579","2581","10.1107/S0108270195007219","","","1.5418","CuKα","","0.0397","0.036","","0.0417","0.041","","","","","2.99","2.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004346","7.307","0.002","12.327","0.001","12.33","0.003","90","","100.12","0.01","90","","1093.3","0.4","298","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H9 N5 O5 -","- C9 H9 N5 O5 -","- C36 H36 N20 O20 -","4","1","AS1156","Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L.","Molecular Co-Crystals of Carboxylic Acids. 23. The 1:1 Adducts of 3-Amino-1<i>H</i>-1,2,4-triazole with 5-Nitrosalicylic Acid and 3,5-Dinitrosalicylic Acid","Acta Crystallographica Section C","1996","52","1","231","235","10.1107/S0108270195010602","","","0.71073","MoKα","","","0.035","","","0.091","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004372","12.525","0.003","8.49","0.002","15.697","0.006","90","","104.19","0.03","90","","1618.2","0.9","299","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","CR1175","Gi, H.-J.; Wang, T.; Zhao, K.","1β-(4-Methoxybenzyl)-8α-vinyl-7-oxabicyclo[4.3.0]nonan-6β-ol","Acta Crystallographica Section C","1996","52","1","186","187","10.1107/S0108270195008225","","","0.71073","MoKα","","","0.057","","","0.061","","","","","5.7","5.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004407","7.336","0.001","7.401","0.002","10.408","0.004","90","","93.34","0.02","90","","564.1","0.3","296","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H10 Cd Cl4 N2 -","- C6 H10 Cd Cl4 N2 -","- C12 H20 Cd2 Cl8 N4 -","2","0.5","MU1132","Ye, Q.; Meng, Q.-J.; You, X.-Z.; Huang, X.-Y.","The Intercalation Compound 1,4-Benzenediammonium Tetrachlorocadmate(II)","Acta Crystallographica Section C","1996","52","1","33","35","10.1107/S0108270195007797","","","0.71069","MoKα","","","0.055","","","0.064","","","","","2.45","2.45","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004428","23.093","0.009","25.688","0.01","6.05","0.002","90","","97.16","0.04","90","","3561","2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-{[4-(4-bromophényl)]-3-butène-2-one-1-yl}-2-{[3-(2,6,6-triméthyl-1- cyclohexène-1-yl)]-2-propène-1-one-1-yl}-3-[(4-bromophényl)-1-yl]- 1,2,3,4,5,6,7,8-octahydro-8,8-diméthyl-naphtalène","","- C40 H46 Br2 O2 -","- C40 H46 Br2 O2 -","- C160 H184 Br8 O8 -","4","1","PA1183","Ginderow, D.","3-(4-Bromophényl)-1-[4-(4-bromophényl)-3-butène-2-one-1-yl]-2-[3-(2,6,6-triméthyl-1-cyclohexène-1-yl)-2-propène-1-one-1-yl]-1,2,3,4,5,6,7,8-octahydro-8,8-diméthylnaphtalène","Acta Crystallographica Section C","1996","52","1","256","259","10.1107/S0108270195008985","","","1.5418","CuKα","","0.0704","0.0517","","0.1694","0.1452","","","","1.083","1.083","1.083","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004465","10.322","0.003","14.909","0.001","9.8059","0.0008","90","","109.48","0.01","90","","1422.7","0.4","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H19 N O2 -","- C19 H20 N O2 -","- C76 H80 N4 O8 -","4","1","AS1204","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","Coumarin 106, C~18~H~19~NO~2~","Acta Crystallographica Section C","1996","52","2","364","365","10.1107/S0108270195010845","","","1.54184","CuKα","","","0.051","","","0.066","","","","","2.85","2.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004566","23.803","0.003","8.4646","0.001","11.083","0.002","90","","98.13","0.04","90","","2210.6","0.6","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","sc^*^(9S^*^)-8-chloro-1,4-dimethyl-9-(2-methylbenzyl)triptycene","","- C30 H25 Cl -","- C30 H25 Cl -","- C120 H100 Cl4 -","4","1","AS1189","Nemoto, T.; Ohashi, Y.; Yamamoto, G.","<i>ap</i>-8-Chloro-1,4-dimethyl-9-(2-methylbenzyl)triptycene and <i>sc</i>*(9<i>S</i>*)-8-Chloro-1,4-dimethyl-9-(2-methylbenzyl)triptycene","Acta Crystallographica Section C","1996","52","3","716","720","10.1107/S0108270195009048","","","1.54184","CuKα","","0.1001","0.089","","0.2291","0.219","","","","1.109","1.143","1.143","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2004614","8.748","0.001","17.697","0.002","8.418","0.001","90","","109.01","0.03","90","","1232.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C56 H48 O12 S4 -","4","1","HU1074","Hellier, D. G.; Motevalli, M.","<i>cis</i>,<i>trans</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide, <i>cis</i>,<i>cis</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide and 4,4-Diphenyl-1,3,2-dioxathiolane 2-Oxide","Acta Crystallographica Section C","1996","52","3","739","743","10.1107/S0108270195012984","","","0.71069","MoKα","","0.0546","0.0357","","0.1284","0.1203","","","","1.017","1.13","1.13","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004636","14.28","0.003","10.426","0.002","16.112","0.004","90","","112.065","0.014","90","","2223.1","0.9","240","0.2","240","0.2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Tetrakis(dimethylsulphoxide-κ-O)copper(II) bis(perchlorate)","","- C8 H24 Cl2 Cu O12 S4 -","- C8 H24 Cl2 Cu O12 S4 -","- C32 H96 Cl8 Cu4 O48 S16 -","4","1","KH1069","Blake, A. J.; Grimditch, R. S.; Parsons, S.; Schröder, M.","Tetrakis(dimethyl sulfoxide-<i>O</i>)copper(II) Bis(perchlorate)","Acta Crystallographica Section C","1996","52","3","514","516","10.1107/S0108270195013795","","","0.71073","MoKα","","0.1548","0.0649","","0.1349","0.106","","","","0.977","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004669","8.289","0.005","6.312","0.004","11.786","0.004","90","","93.19","0.03","90","","615.7","0.6","295","1","295","1","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C18 H12 -","- C18 H12 -","- C36 H24 -","2","0.5","AB1295","Capparelli, M. V.; Machado, R.; De Sanctis, Y.; Arce, A. J.","<i>trans</i>-1,1'-Bis(indenylidene)","Acta Crystallographica Section C","1996","52","4","947","949","10.1107/S0108270195014600","","","0.71069","MoKα","","","0.0421","","","0.0428","","","","","2.908","2.908","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004894","21.64","0.002","7.866","0.001","6.72","0.01","90","0.01","96.16","0.01","90","0.009","1137.3","1.7","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","ethyl p-methoxycinnamate","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","KA1167","Luger, P.; Weber, M.; Dung, N. X.; Tuyet, N. T. B.","Ethyl <i>p</i>-Methoxycinnamate from <i>Kaempferia galanga L</i>. in Vietnam","Acta Crystallographica Section C","1996","52","5","1255","1257","10.1107/S0108270195016027","","","1.5418","CuKαradiation,Nifiltered","","0.053","0.039","","0.044","0.034","","","","0.497","0.418","0.418","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004934","7.701","0.002","40.02","0.005","4.6437","0.0006","90","","107.34","0.01","90","","1366.1","0.4","123","","123","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H28 Cl N O -","- C11 H28 Cl N O -","- C44 H112 Cl4 N4 O4 -","4","1","CF1038","Silver, J.; Martin, S.; Marsh, P. J.; Frampton, C. S.","<i>n</i>-Undecylammonium Chloride Monohydrate","Acta Crystallographica Section C","1996","52","5","1261","1263","10.1107/S0108270195015770","","","0.7107","MoKα","","","0.0293","","","0.0324","","","","","1.67","1.67","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004962","6.7341","0.0006","19.76","0.002","8.1797","0.0015","90","","102.085","0.009","90","","1064.3","0.2","294","1","294","1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,3-adamantanedicarboxylic acid","","- C12 H16 O4 -","- C12 H15.806 O4 -","- C48 H63.224 O16 -","4","1","CF1046","Glidewell, C.; Ferguson, G.","1,3-Adamantanedicarboxylic Acid and 1,3-Adamantanediacetic Acid","Acta Crystallographica Section C","1996","52","6","1466","1470","10.1107/S0108270195016593","","","0.7107","MoKα","","0.1444","0.0499","","0.1458","0.1233","","","","0.863","1.186","1.186","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004963","23.677","0.014","7.739","0.005","14.73","0.014","90","","110.23","0.05","90","","2533","3","294","1","294","1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,3-Adamantanediacetic acid","","- C14 H20 O4 -","- C14 H20 O4 -","- C112 H160 O32 -","8","2","CF1046","Glidewell, C.; Ferguson, G.","1,3-Adamantanedicarboxylic Acid and 1,3-Adamantanediacetic Acid","Acta Crystallographica Section C","1996","52","6","1466","1470","10.1107/S0108270195016593","","","0.7107","MoKα","","0.1517","0.0654","","0.186","0.1641","","","","0.967","1.327","1.327","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004989","11.105","0.002","8.978","0.002","17.219","0.001","90","","90.13","0.01","90","","1716.7","0.5","296","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H20 Cl N3 -","- C19 H20 Cl N3 -","- C76 H80 Cl4 N12 -","4","1","FG1153","Parvez, M.; Sabir, A. P.","Clemizole","Acta Crystallographica Section C","1996","52","6","1572","1574","10.1107/S0108270196000819","","","0.71069","MoKα","","","0.0473","","","0.0472","","","","","2.825","2.825","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005007","9.732","0.002","13.903","0.003","9.116","0.002","90","","99.99","0.01","90","","1214.7","0.5","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(5R^*^,7S^*^,9S^*^)-7-chloro-7-methyl-3-oxo-octahydro-indolizidine-5- carboxylic acid methyl ester","","- C11 H16 Cl N O3 -","- C11 H16 Cl N O3 -","- C44 H64 Cl4 N4 O12 -","4","1","JZ1068","De Ridder, D. J. A.; Goubitz, K.; Reiss, C. A.; Schenk, H.; Hiemstra, H.","One Bicyclic β-Lactam and Two Bicyclic γ-Lactam Compounds","Acta Crystallographica Section C","1996","52","6","1473","1479","10.1107/S0108270195014788","","","0.71069","MoKα","","0.048","0.048","","0.047","0.047","","","","0.783","0.783","0.783","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005030","10.538","0.001","8.895","0.001","16.031","0.001","90","","102.742","0.009","90","","1465.7","0.2","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H23 N O3 -","- C14 H23 N O3 -","- C56 H92 N4 O12 -","4","1","LI1142","Zukerman-Schpector, J.; Caracelli, I.; de Oliveira, S. Ma.; Faria de Medeiros, E.; Brocksom, T. J.","A Key Intermediate in the Synthesis of (+)-Hernandulcin","Acta Crystallographica Section C","1996","52","6","1579","1581","10.1107/S010827019600008X","","","0.71073","MoKα","","0.1881","0.0535","","0.1715","0.1048","","","","1.127","1.154","1.154","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005091","9.68","0.003","13.093","0.003","16.607","0.005","90","0.02","91.82","0.03","90","0.02","2103.7","1","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-hydroxyethyl)piperidinium[2-[(2,6-dichlorophenyl)amino]phenyl]acetate","","- C21 H26 Cl2 N2 O3 -","- C21 H26 Cl2 N2 O3 -","- C84 H104 Cl8 N8 O12 -","4","1","BM1046","Castellari, C.; Sabatino, P.","Anti-Inflammatory Drugs. III. Salts of Diclofenac with <i>N</i>-(2-Hydroxyethyl)piperidine, <i>N</i>-(2-Hydroxyethyl)morpholine and <i>N</i>-(2-Hydroxyethyl)piperazine","Acta Crystallographica Section C","1996","52","7","1708","1712","10.1107/S0108270196000571","","","0.71069","MoKα","","0.1544","0.0399","","0.1345","0.0961","","","","1.003","1.136","1.136","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005092","9.525","0.002","12.962","0.004","16.579","0.007","90","","91.81","0.03","90","","2045.9","1.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-hydroxyethyl)morpholinium[2-[(2,6-dichlorophenyl)amino]phenyl]acetate","","- C20 H24 Cl2 N2 O4 -","- C20 H24 Cl2 N2 O4 -","- C80 H96 Cl8 N8 O16 -","4","1","BM1046","Castellari, C.; Sabatino, P.","Anti-Inflammatory Drugs. III. Salts of Diclofenac with <i>N</i>-(2-Hydroxyethyl)piperidine, <i>N</i>-(2-Hydroxyethyl)morpholine and <i>N</i>-(2-Hydroxyethyl)piperazine","Acta Crystallographica Section C","1996","52","7","1708","1712","10.1107/S0108270196000571","","","0.71069","MoKα","","0.0811","0.0428","","0.1208","0.1006","","","","1.035","1.102","1.102","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005093","9.681","0.005","13.083","0.004","16.582","0.005","90","0.03","91.66","0.04","90","0.03","2099.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-hydroxyethyl)piperazinium[2-[(2,6-dichlorophenyl)amino]phenyl]acetate","","- C20 H25 Cl2 N3 O3 -","- C20 H25 Cl2 N3 O3 -","- C80 H100 Cl8 N12 O12 -","4","1","BM1046","Castellari, C.; Sabatino, P.","Anti-Inflammatory Drugs. III. Salts of Diclofenac with <i>N</i>-(2-Hydroxyethyl)piperidine, <i>N</i>-(2-Hydroxyethyl)morpholine and <i>N</i>-(2-Hydroxyethyl)piperazine","Acta Crystallographica Section C","1996","52","7","1708","1712","10.1107/S0108270196000571","","","0.71069","MoKα","","0.1858","0.0422","","0.159","0.1102","","","","1.011","1.185","1.185","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005104","18.678","0.009","7.627","0.003","19.099","0.01","90","","116.6","0.04","90","","2433","2","198","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H30 I N Sn -","- C24 H30 I N Sn -","- C96 H120 I4 N4 Sn4 -","4","1","CF1055","Howie, R. A.; Wardell, J. L.","Trimethyl[3-(triphenylstannyl)propyl]ammonium Iodide","Acta Crystallographica Section C","1996","52","7","1668","1670","10.1107/S0108270196000881","","","0.71073","MoKα","","","0.043","","","0.043","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005148","8.551","0.003","36.14","0.01","5.857","0.002","90","","95.09","0.03","90","","1802.9","1","243","2","243","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","8OCB","4'-octyloxy-4-cyanobiphenyl","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","KH1089","Hori, K.; Kurosaki, M.; Wu, H.; Itoh, K.","Two Crystal Forms of 4'-octyloxy-4-cyanobiphenyl (8OCB)","Acta Crystallographica Section C","1996","52","7","1751","1754","10.1107/S0108270196003447","","","0.7107","MoKα","","0.1004","0.0674","","0.2524","0.2313","","","","0.682","0.735","0.735","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005167","6.933","0.002","22.519","0.004","7.408","0.002","90","","94.6","0.03","90","","1152.8","0.5","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","γ-Lactone","methyl 11-oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","PA1219","Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P.","γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate","Acta Crystallographica Section C","1996","52","7","1695","1699","10.1107/S010827019600193X","","","1.5418","CuKα","","0.0479","0.0479","","0.0479","0.0479","","","","0.71","0.71","0.71","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2005168","7.116","0.002","23.074","0.004","7.266","0.002","90","","100.45","0.03","90","","1173.2","0.5","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","γ-Lactone","methyl 11-oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","PA1219","Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P.","γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate","Acta Crystallographica Section C","1996","52","7","1695","1699","10.1107/S010827019600193X","","","1.5418","CuKα","","0.0424","0.0424","","0.0424","0.0424","","","","0.64","0.64","0.64","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2005169","7.147","0.002","23.199","0.004","7.357","0.002","90","","100.5","0.03","90","","1199.4","0.5","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","γ-Lactone","methyl 9-oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","PA1219","Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P.","γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate","Acta Crystallographica Section C","1996","52","7","1695","1699","10.1107/S010827019600193X","","","1.5418","CuKα","","0.0442","0.0442","","0.0442","0.0442","","","","0.66","0.66","0.66","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2005251","14.605","0.003","9.877","0.002","7.569","0.001","90","","92.44","0.02","90","","1090.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H30 N2 S4 Zn2 -","- C14 H30 N2 S4 Zn2 -","- C28 H60 N4 S8 Zn4 -","2","0.5","HU1091","Malik, M. A.; O'Brien, P.; Motevalli, M.","Bis(μ-diethyldithiocarbamato)-1κ<i>S</i>,1:2κ^2^<i>S</i>';2κ<i>S</i>,1:2κ^2^<i>S</i>'-bis(ethylzinc)","Acta Crystallographica Section C","1996","52","8","1931","1933","10.1107/S0108270196002831","","","0.71069","MoKα","","0.05","0.0337","","0.0918","0.0886","","","","1.024","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005312","20.992","0.002","6.948","0.001","10.083","0.001","90","","102.15","0.01","90","","1437.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H16 N8 O5 S -","- C8 H16 N8 O5 S -","- C32 H64 N32 O20 S4 -","4","1","VJ1008","Gomes, A. C.; Biswas, G.; Pain (Biswas), S.; Ghosh, S.; Ghosh, D.; Iitaka, Y.; Banerjee, A.","Bis(2,4-diaminopyrimidinium) Sulfate Monohydrate, 2C~4~H~7~N~4~^+^.SO~4~^2{-^}.H~2~O","Acta Crystallographica Section C","1996","52","8","2020","2022","10.1107/S0108270195009656","","","1.5418","CuKα","","0.0568","0.0549","","0.1631","0.1514","","","","1.087","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005382","9.1259","0.0008","21.802","0.001","9.0555","0.0009","90","","102.85","0.008","90","","1756.6","0.3","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","KH1085","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","Coumarin 338","Acta Crystallographica Section C","1996","52","9","2363","2365","10.1107/S0108270196004362","","","1.54184","CuKα","","","0.052","","","0.087","","","","","2.3","2.3","","","","","has coordinates,has disorder","206251","2020-10-21","18:00:00",""
"2005412","8.925","0.004","23.48","0.012","8.049","0.003","90","","96.36","0.03","90","","1676.4","1.3","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","trans-1,4-dimethyl-7,7-diphenylbicyclo[4.1.0]hepta-2,5-dione","","- C21 H20 O2 -","- C21 H20 O2 -","- C84 H80 O8 -","4","1","OA1000","Moriwaki, H.; Kawamoto, T.; Oshima, T.","Half-Chair Conformation of <i>trans</i>-1,4-Dimethyl-7,7-diphenylbicyclo[4.1.0]hepta-2,5-dione","Acta Crystallographica Section C","1996","52","9","2269","2271","10.1107/S0108270196003435","","","0.71073","MoKα","","","0.0699","","","0.0709","","","","","0.81","0.81","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005424","7.671","0.001","20.414","0.002","8.326","0.002","90","","112.39","0.02","90","","1205.5","0.4","295","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H14 N6 -","- C10 H14 N6 -","- C40 H56 N24 -","4","1","SK1005","Küçükbay, H.; Çetinkaya, E.; Ülkü, D.; Tahir, M. N.","(1<i>E</i>,3<i>Z</i>,5<i>E</i>)-2,5-Diaza-1,6-bis(dimethylamino)-1,3,5-hexatriene-3,4-dicarbonitrile","Acta Crystallographica Section C","1996","52","9","2271","2272","10.1107/S0108270196004453","","","0.71073","MoKα","","","0.045","","","0.043","","","","","0.76","0.76","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005442","10.589","0.003","9.396","0.002","21.132","0.005","90","0.02","93.24","0.02","90","0.02","2099.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tris(2-hydroxyethyl)ammonium (2,6-dichlorophenyl)amino-phenylacetate (HTEA.D)","","- C20 H26 Cl2 N2 O5 -","- C20 H26 Cl2 N2 O5 -","- C80 H104 Cl8 N8 O20 -","4","1","AB1345","Castellari, C.; Ottani, S.","Diclofenac Salts. IV. Tris(2-hydroxyethyl)ammonium 2-(2,6-Dichlorophenylamino)phenylacetate","Acta Crystallographica Section C","1996","52","10","2619","2622","10.1107/S0108270196006300","","","0.71069","MoKα","","0.1955","0.0464","","0.1006","0.0698","","","","0.955","1.133","1.133","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2005459","16.716","0.005","13.765","0.005","17.782","0.003","90","","117.18","0.02","90","","3639.8","1.9","294","1","294","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1,3,5-Trihydroxybenzene‒4,4'-Bipyridyl (2/3)","","- C42 H36 N6 O6 -","- C42 H36 N6 O6 -","- C168 H144 N24 O24 -","4","1","AB1404","Coupar, P. I.; Ferguson, G.; Glidewell, C.","Hydrogen-Bonded Chains in 4,4'-Dihydroxybenzophenone‒4,4'-Bipyridyl (1/1) and Chains of Rings in 1,3,5-Trihydroxybenzene‒4,4'-Bipyridyl (2/3)","Acta Crystallographica Section C","1996","52","10","2524","2528","10.1107/S0108270196008669","","","0.7107","MolybdenumKα","","0.2379","0.0769","","0.1875","0.1428","","","","0.905","1.486","1.486","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005514","7.495","0.001","12.18","0.001","13.75","0.001","90","","104.38","0.01","90","","1215.9","0.2","150","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","6-(4-Methoxyphenyl)thieno[2,3-d]-1,3-dithiole-2-thione","","- C12 H8 O S4 -","- C12 H8 O S4 -","- C48 H32 O4 S16 -","4","1","HA1162","Ozturk, T.; Wallis, J. D.","6-(4-Methoxyphenyl)thieno[2,3-<i>d</i>][1,3]dithiole-2-thione at 150K","Acta Crystallographica Section C","1996","52","10","2552","2554","10.1107/S0108270196005264","","","0.71069","MoKα","","0.0632","0.0551","","0.1312","0.1288","","","","1.011","1.098","1.098","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005531","10.598","0.002","9.184","0.002","16.683","0.003","90","0.01","108.39","0.02","90","0.01","1540.9","0.6","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(±)-3-formyl-1-methyl-2-(2-phenylethyl)Cyclohex-2-enecarboxylic acid","","- C17 H20 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","LI1144","Ghosh, S.; Mostafa, G.; Mukherjee, M.; Pal, S.; Mukherjee, A. K.","(±)-3-Formyl-1-methyl-2-(2-phenylethyl)cyclohex-2-enecarboxylic Acid: an Investigation of Disorder","Acta Crystallographica Section C","1996","52","10","2507","2510","10.1107/S0108270196005586","","","1.5418","CuKα","","0.1535","0.1052","","0.4178","0.2897","","","","1.197","1.119","1.119","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005556","10.388","0.002","16.781","0.007","11.234","0.002","90","","115.6","0.02","90","","1766.1","0.9","138","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H30 O2 Te6 Ti6 -","- C30 H30 O2 Te6 Ti6 -","- C60 H60 O4 Te12 Ti12 -","2","0.5","SZ1028","Gindelberger, D. E.","[(CpTi)~6~(μ~3~-Te)~6~(μ~3~-O)~2~]","Acta Crystallographica Section C","1996","52","10","2493","2495","10.1107/S0108270196004854","","","0.71073","MoKα","","","0.0318","","","0.0373","","","","","1.543","1.543","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005573","19.05","0.002","8.9927","0.0008","10.418","0.002","90","","101.05","0.01","90","","1751.6","0.4","295","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Triphenylphosphinecarbomethoxymethylene","","- C21 H19 O2 P -","- C21 H19 O2 P -","- C84 H76 O8 P4 -","4","1","BK1237","Boyle, P. D.","Methyl Triphenylphosphoranylideneacetate: a Redetermination","Acta Crystallographica Section C","1996","52","11","2859","2861","10.1107/S0108270196007561","","","0.71069","MolybdenumKα","","0.042","0.042","","0.051","0.051","","","","","1.61","1.61","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005591","13.495","0.001","9.666","0.01","19.718","0.001","90","","109.108","0.005","90","","2430","3","130","","130","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H29 N O3 Sn -","- C25 H29 N O3 Sn -","- C100 H116 N4 O12 Sn4 -","4","1","BM1087","Meetsma, A.; Dijkstra, H. P.; ten Have, R.; van Leusen, A. M.","An Unexpected Trimethylstannylpyrrole from a Stannylated Derivative of Tosylmethyl Isocyanide (TosMIC) and Chalcone","Acta Crystallographica Section C","1996","52","11","2747","2750","10.1107/S0108270196009286","","","0.71073","MoKα","","0.0338","0.0249","","0.0689","0.0586","","","","1.071","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005719","10.058","0.001","4.971","0.002","22.924","0.002","90","","97.897","0.009","90","","1135.3","0.5","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","2-naphthylbutyric acid","4-(2-naphthyl)butanoic acid","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","BK1262","Dobson, A. J.; Gerkin, R. E.","4-(2-Naphthyl)butanoic Acid","Acta Crystallographica Section C","1996","52","12","3083","3086","10.1107/S0108270196009547","","","0.71073","MoKα","","","0.04","","","0.048","","","","","1.63","1.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005829","10.027","0.001","11.037","0.002","12.472","0.001","90","","112.015","0.009","90","","1279.6","0.3","296","1","296","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","TA1091","Hockless, D. C. R.; Whittall, I. R.; Humphrey, M. G.","(<i>E</i>)- and (<i>Z</i>)-4-Ethynyl-4'-nitrostilbene","Acta Crystallographica Section C","1996","52","12","3222","3224","10.1107/S0108270196009845","","","1.5418","CuKα","","","0.0377","","","0.04","","","","","2.876","2.876","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005831","13.793","0.007","8.247","0.004","13.699","0.007","90","","104.52","0.01","90","","1508.5","1.3","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","3-(4'-Methoxyphenyl)-2,2,4,4-tetramethylpentane","","- C16 H26 O -","- C16 H26 O -","- C64 H104 O4 -","4","1","TA1097","Collins, D. J.; Fallon, G. D.; Jacobs, H. A.","Conformation of Crystalline 3-(4-Methoxyphenyl)-2,2,4,4-tetramethylpentane","Acta Crystallographica Section C","1996","52","12","3232","3234","10.1107/S0108270196011031","","","1.5418","CuKα","","","0.066","","","0.069","","","","","1.72","1.72","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005865","11.503","0.002","18.218","0.005","9.305","0.002","90","","110.359","0.005","90","","1828.2","0.7","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N,N'-Bis(1-pyrenylmethyl)-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane","","- C46 H46 N2 O4 -","- C46 H46 N2 O4 -","- C92 H92 N4 O8 -","2","0.5","HA1169","Kubo, K.; Kato, N.; Sakurai, T.","<i>N</i>,<i>N</i>'-Bis(1-pyrenylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane","Acta Crystallographica Section C","1997","53","1","132","134","10.1107/S0108270196011808","","","1.54184","CuKα","","0.07","0.0474","","0.1506","0.1325","","","","1.03","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005903","15.804","0.002","15.112","0.002","12.684","0.002","90","","104.89","0.01","90","","2927.6","0.7","296","","23","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C26 H28 Cl3 N6 O4 Sm -","- C26 Cl3 N6 O4 Sm -","- C104 Cl12 N24 O16 Sm4 -","4","1","TA1110","Jin, H.-Y.; Akiba, M.; Umakoshi, K.; Sasaki, Y.; Kabuto, K.","Dichloro[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis(2-pyridylmethyl)ethylenediamine]samarium(III) Perchlorate","Acta Crystallographica Section C","1997","53","1","60","63","10.1107/S0108270196009924","","","0.71069","MoKα","","","0.049","","","0.043","","","","","2.248","2.248","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005946","12.506","0.002","9.778","0.002","14.995","0.003","90","","95.43","0.05","90","","1825.4","0.6","295","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H23 N O2 Sn -","- C18 H23 N O2 Sn -","- C72 H92 N4 O8 Sn4 -","4","1","NA1265","Tahir, M. N.; Ülkü, D.; Danish, M.; Ali, S.; Badshah, A.; Mazhar, M.","{2-[(2,3-Dimethylphenyl)amino]benzoato-<i>O</i>:<i>O</i>'}-trimethyltin(IV)","Acta Crystallographica Section C","1997","53","2","183","185","10.1107/S0108270196013157","","","0.71073","MoKα","","","0.021","","","0.029","","","","","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005956","14.935","0.004","12.158","0.006","17.499","0.009","90","","96.3","0.03","90","","3158","2","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C12 H38 Mo5 N4 O23 P2 -","- C12 H38 Mo5 N4 O23 P2 -","- C48 H152 Mo20 N16 O92 P8 -","4","1","TA1123","Harrison, W. T. A.; Dussack, L. L.; Jacobson, A. J.","Bis(piperazinium) Pentakis(trioxomolybdo)bis(ethylphosphonate) Dihydrate","Acta Crystallographica Section C","1997","53","2","200","202","10.1107/S0108270196012024","","","0.71073","MoKα","","","0.024","","","0.022","","","","","2.9","2.9","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2006012","13.636","0.002","12.597","0.002","13.794","0.001","90","","97.875","0.009","90","","2347.1","0.5","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","fluorescein sodium","sodium 2-(3-oxo-sodioxy-3H-xanthen-9-yl)benzoate","","- C20 H26 Na2 O13 -","- C20 H26 Na2 O13 -","- C80 H104 Na8 O52 -","4","1","OA1007","Yamaguchi, K.; Tamura, Z.; Maeda, M.","Disodium Fluorescein Octahydrate","Acta Crystallographica Section C","1997","53","3","284","285","10.1107/S0108270196010487","","","1.5418","CuKα","","","0.0637","","","0.0777","","","","","2.114","2.114","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2006025","7.435","0.002","18.709","0.003","7.5618","0.0013","90","","113.078","0.014","90","","967.7","0.4","294","","294","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis(3-methyladenine)dichlorodimethyltin(IV)","","- C14 H20 Cl2 N10 Sn -","- C14 H20 Cl2 N10 Sn -","- C28 H40 Cl4 N20 Sn2 -","2","0.5","AB1424","Hazell, A.; Ouyang, J.; Khoo, L. E.","Dichlorodimethylbis(3-methyladenine-<i>N</i>^7^)tin(IV)","Acta Crystallographica Section C","1997","53","4","406","408","10.1107/S0108270196015132","","","0.71073","MoKα","","","0.043","","","0.054","","","","","1.81","1.81","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2006042","12.928","0.005","5.546","0.005","16.445","0.005","90","","92.392","0.005","90","","1178.1","1.2","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-Methylamino-5-chlorobenzophenone","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","BM1125","Cox, P. J.; Anisuzzaman, A. T. Md.; Skellern, G. G.; Pryce-Jones, R. H.; Florence, A. J.; Shankland, N.","2-Methylamino-5-chlorobenzophenone","Acta Crystallographica Section C","1997","53","4","476","477","10.1107/S0108270196014928","","","0.71069","MoKα","","0.0569","0.033","","0.0708","0.064","","","","0.736","0.881","0.881","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006050","8.058","0.001","14.546","0.003","12.247","0.002","90","","95.57","0.01","90","","1428.7","0.4","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(3-(η^5^-cyclopentadienylamido)propionic acid)(tricarbonyl)rhenium","","- C12 H10 N O6 Re -","- C12 H10 N O6 Re -","- C48 H40 N4 O24 Re4 -","4","1","DU1167","Bennouna, A.; Mousser, A.; Gorfti, A.; Salmain, M.; Cabestaing, C.; Jaouen, G.","Tricarbonyl[3-(η^5^-cyclopentadienylcarbonylamino)propionic acid]rhenium","Acta Crystallographica Section C","1997","53","4","447","449","10.1107/S0108270196014643","","","0.71073","MoKα","","","0.03","","","0.033","","","","","0.972","0.972","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006074","10.152","0.003","9.407","0.003","19.448","0.008","90","","90.12","0.03","90","","1857.3","1.1","293","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tris(2-hydroxymethyl)methylammonium (2,6-dichlorophenyl)amino-phenylacetate (HTRIS.D)","","- C18 H22 Cl2 N2 O5 -","- C18 H22 Cl2 N2 O5 -","- C72 H88 Cl8 N8 O20 -","4","1","NA1262","Castellari, C.; Ottani, S.","Anti-Inflammatory Drugs. V. [Tris-(2-hydroxymethyl)methyl]ammonium 2-[(2,6-Dichlorophenyl)amino]phenylacetate (TRISH. D)","Acta Crystallographica Section C","1997","53","4","482","486","10.1107/S0108270196013649","","","0.71069","MoKα","","0.1153","0.0403","","0.0866","0.067","","","","0.996","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006079","12.268","0.002","7.52","0.002","12.338","0.002","90","","91.86","0.01","90","","1137.6","0.4","295","1","296","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H11 Br2 N -","- C10 H11 Br2 N -","- C40 H44 Br8 N4 -","4","1","OA1016","Banwell, M. G.; Hockless, D. C. R.; Wu, A. W.","(<i>E</i>)-3-(2,2-Dibromospiro[2.4]heptan-1-yl)propenenitrile","Acta Crystallographica Section C","1997","53","4","504","506","10.1107/S0108270196014886","","","1.5418","CuKα","","0.1363","0.0774","","0.0605","0.0563","","","","1.743","2.107","2.107","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006134","10.267","0.001","8.505","0.001","14.996","0.001","90","","96.85","0.01","90","","1300.1","0.2","298","","299","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","3-acetonylbicyclo[6.3.0]undecane-2,6-dione","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","OA1017","Ohba, Shigeru; Umehara, Misao","3-Acetonylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-Acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione, (II), 7,12-Dihydroxy-12-methyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one Monohydrate, (III), and 8,8-Dimethyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1997","53","5","616","620","10.1107/S0108270196015661","","","0.71073","MoKα","","","0.0605","","","0.0529","","","","","1.16","1.16","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2006198","16.179","0.002","10.992","0.002","16.695","0.002","90","","106.42","0.01","90","","2847.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4,6,10,12-tetraphenyl-1,3-dithia-7,9-dioxacyclododecane","","- C32 H32 O2 S2 -","- C32 H32 O2 S2 -","- C128 H128 O8 S8 -","4","1","CF1105","Llorca, Jordi; Molins, Elies; Flores-Vela, Abelardo; Cruz-Sanchez, Samuel; Juaristi, Eusebio","4,6,10,12-Tetraphenyl-7,9-dioxa-1,3-dithiacyclododecane","Acta Crystallographica Section C","1997","53","6","816","818","10.1107/S0108270197000759","","","0.71069","MoKα","","0.1996","0.0457","","0.1828","0.1363","","","","0.684","0.807","0.807","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006218","14.355","0.002","7.836","0.002","20.353","0.002","90","","106.74","0.01","90","","2192.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H22 Cl5 Cu N3 -","- C16 H22 Cl5 Cu N3 -","- C64 H88 Cl20 Cu4 N12 -","4","1","FG1261","Parvez, Masood; Sabir, Aaliya P.","Chloropyramine Tetrachlorocuprate(II)","Acta Crystallographica Section C","1997","53","6","678","679","10.1107/S0108270197002060","","","0.71069","MoKα","","0.255","0.041","","0.212","0.099","","","","0.933","0.907","0.907","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006242","17.329","0.005","13.631","0.003","6.943","0.002","90","","101.4","0.01","90","","1607.7","0.7","296","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H21 N2 Na O10 V -","- C10 H21 N2 Na O10 V -","- C40 H84 N8 Na4 O40 V4 -","4","1","OA1015","Kan Kanamori; Keisuke Miyazaki; Ken-Ichi Okamoto","Sodium (<i>N</i>-Ethylethylenediamine-<i>N</i>,<i>N</i>',<i>N</i>'-triacetato)oxovanadium(IV) Trihydrate","Acta Crystallographica Section C","1997","53","6","673","675","10.1107/S0108270197000243","","","0.7107","MoKα","","","0.0381","","","0.0617","","","","","1.398","1.398","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2006262","9.89","0.003","14.122","0.003","11.856","0.003","90","","98.04","0.02","90","","1639.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-phenylsulfonyl-3(2-propenyl)chroman-4-one","","- C18 H16 O4 S -","- C18 H16 O4 S -","- C72 H64 O16 S4 -","4","1","VJ1050","Sriram, D.; Srinivasan, S.; Santhosh, K.C.","3-Phenylsulfonyl-3-(2-propenyl)chroman-4-one","Acta Crystallographica Section C","1997","53","6","793","794","10.1107/S0108270197001261","","","0.71073","MoKα","","0.0591","0.0502","","0.1337","0.1274","","","","1.088","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006304","13.943","0.002","8.0371","0.0007","14.374","0.001","90","","108.03","0.01","90","","1531.7","0.3","293","2","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","FG1275","Zukerman-Schpector, J.; Caracelli, I.; Malvestiti, Ivani; Cass, Quezia B.; Battiste, Merle A.","Intermediates in the Synthesis of Forskolin. I","Acta Crystallographica Section C","1997","53","7","969","971","10.1107/S0108270197002965","","","0.71073","MoKα","","0.0797","0.046","","0.14","0.1113","","","","1.083","1.065","1.065","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2006343","13.133","0.004","18.932","0.006","14.646","0.009","90","","95.7","0.03","90","","3623","3","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H38 Mo5 N4 O23 P2 -","- C20 H34 Mo5 N4 O23 P2 -","- C80 H136 Mo20 N16 O92 P8 -","4","1","TA1124","Harrison, William T. A.; Dussack, Laurie L.; Jacobson, Allan J.","Bis(piperazinium) Pentakis(trioxomolybdo)bis(phenylphosphonate) Dihydrate","Acta Crystallographica Section C","1997","53","7","856","859","10.1107/S0108270197002989","","","0.71073","MoKα","","0.022","0.022","","0.035","0.035","","","","","1.84","1.84","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006367","14.33","0.001","16.39","0.003","8.484","0.001","90","","97.4","0.01","90","","1976","0.5","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1-(8,8-Dicyanoheptafulven-3-yl)aza-15-crown-5 Ether","N-(5-Dicyanomethylenecyclohepta-1,3,6- trienyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane","","- C20 H25 N3 O4 -","- C20 H25 N3 O4 -","- C80 H100 N12 O16 -","4","1","BS1019","Kubo, Kanji; Kato, Nobuo; Mori, Akira; Takeshita, Hitoshi","1-(8,8-Dicyanoheptafulven-3-yl)aza-15-crown-5 Ether","Acta Crystallographica Section C","1997","53","8","1136","1137","10.1107/S010827019700512X","","","1.54184","CuKα","","0.0651","0.0504","","0.1491","0.1354","","","","1.051","1.08","1.08","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006370","7.707","0.002","8.72","0.001","18.619","0.002","90","","100.97","0.01","90","","1228.4","0.4","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","methyl 5,8-dimethoxy-1-naphthoate","","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","BS1029","Blackburn, Anthony C.; Gerkin, Roger E.","5,8-Dimethoxy-1-naphthoic Acid and Methyl 5,8-Dimethoxy-1-naphthoate","Acta Crystallographica Section C","1997","53","8","1077","1080","10.1107/S0108270197004940","","","0.71073","MoKα","","","0.052","","","0.034","","","","","1.66","1.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006380","12.023","0.002","9.446","0.002","15.205","0.002","90","","90.243","0.014","90","","1726.8","0.5","294","","294","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H16 O4 S -","- C20 H16 O4 S -","- C80 H64 O16 S4 -","4","1","FG1284","Jones, Ray; Rattray, A. Graham M.; Scheffer, John R.; Trotter, James","Dimethyl 9,10-Dihydro-9,10-ethenoanthracene-11-carboxylate-12-<i>S</i>-carbonothioate","Acta Crystallographica Section C","1997","53","8","1162","1164","10.1107/S0108270197003892","","","0.7107","MoKα","","0.092","0.0393","","0.0549","0.0496","","","","1.55","1.83","1.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006441","7.596","0.002","22.882","0.011","9.311","0.002","90","","110.18","0.02","90","","1519","0.9","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","trans-decahydroquinoline","N-Nitroso-3,3-dimethyl-2-phenyldecahydroquinolin-4-one","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C68 H88 N8 O8 -","4","1","VJ1058","A.Thiruvalluvar; V.Parthasarathi; D.Natarajan; N.Bhavani; Mohan Bhadbhade","3,3-Dimethyl-<i>N</i>-nitroso-2-phenyldecahydroquinolin-4-one","Acta Crystallographica Section C","1997","53","8","1086","1088","10.1107/S0108270197004770","","","1.5418","CuKα","","0.0722","0.0587","","0.1681","0.1588","","","","1.076","1.148","1.148","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006457","10.58","0.002","5.034","0.002","25.762","0.002","90","","91.56","0.01","90","","1371.6","0.6","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","4-(3-phenanthryl)butanoic acid","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","BK1335","Gerkin, Roger E.","4-(3-Phenanthryl)butanoic Acid","Acta Crystallographica Section C","1997","53","9","1275","1278","10.1107/S0108270197006367","","","0.71073","MoKα","","","0.062","","","","0.115","","","","","","1.24","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006496","11.497","0.002","12.507","0.002","11.789","0.002","90","","101.64","0.02","90","","1660.3","0.5","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","benzophenone-3,3',4,4'-tetracarboxylic acid dihydrate","","","- C17 H14 O11 -","- C17 H14 O11 -","- C68 H56 O44 -","4","1","FR1049","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Benzophenone-3,3',4,4'-tetracarboxylic Acid Dihydrate","Acta Crystallographica Section C","1997","53","9","1267","1270","10.1107/S0108270197006069","","","0.71073","MoKα","","","0.054","","","","0.049","","","","","","1.49","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006541","10.5","0.005","15.507","0.004","6.804","0.004","90","","90.48","0.05","90","","1107.8","0.9","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- Ba2 Cl7 Er -","- Ba2 Cl7 Er -","- Ba8 Cl28 Er4 -","4","1","TA1137","Tsuchiya, S.; Hanaue, Y.; Kimura, E.; Ishizawa, N.","Ba~2~ErCl~7~","Acta Crystallographica Section C","1997","53","9","1180","1181","10.1107/S0108270197004502","","","0.7107","Mo_Kα","","0.047","0.032","","0.03","0.029","","","","1.442","1.527","1.527","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006544","13.087","0.001","9.835","0.001","6.015","0.002","90","","103.33","0.01","90","","753.3","0.3","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Cu4 H6 O10 S -","- Cu4 H6 O10 S -","- Cu16 H24 O40 S4 -","4","1","AB1459","Helliwell, Madeleine; Smith, Joseph V.","Brochantite","Acta Crystallographica Section C","1997","53","10","1369","1371","10.1107/S0108270197006318","","","0.7107","MoKα","","0.1053","0.0416","","0.0492","0.0394","","","","1.467","1.619","1.619","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006584","7.489","0.001","5.534","0.004","18.722","0.002","90","","91.3","0.03","90","","775.7","0.6","296","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","FR1047","Okabe, Nobuo; Inubushi, Chika","Phenylpyruvic Acid","Acta Crystallographica Section C","1997","53","10","1449","1450","10.1107/S0108270197006525","","","0.71069","MoKα","","","0.057","","","0.07","","","","","2.16","2.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006627","7.377","0.001","18.664","0.003","9.897","0.002","90","","95.314","0.008","90","","1356.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(1α,2β,3α,6α,7β,8α,9β,13β)-9,13-dibromo-11-methyl-11-aza- 14,15-dioxa-11-pentacyclo [6.5.1.1^3,6^.0^2,7^.0^9,13^] pentadec-4-en-10,12-dione","","- C13 H11 Br2 N O4 -","- C13 H11 Br2 N O4 -","- C52 H44 Br8 N4 O16 -","4","1","TA1163","Warrener, Ronald N.; Maksimovic, L.; Kennard, Colin H. L.","(1α,2β,3α,6α,7β,8α,9β,13β)-9,13-Dibromo-11-methyl-14,15-dioxa-11-azapentacyclo[6.5.1.1^3,6^.0^2,7^.0^9,13^]pentadec-4-ene-10,12-dione","Acta Crystallographica Section C","1997","53","10","1501","1502","10.1107/S0108270197006616","","","0.71073","MoKα","","0.116","0.047","","0.139","0.11","","","","1.025","1.098","1.098","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006658","5.339","0.001","9.923","0.001","4.488","0.001","90","","97.45","0.02","90","","235.76","0.07","293","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Diphosphate synthétique de Cobalt: Co~2~P~2~O~7~","","- Co2 O7 P2 -","- Co2 O7 P2 -","- Co4 O14 P4 -","2","0.5","DU1177","Kobashi, Dilshat; Kohara, Shizuo; Yamakawa, Junji; Kawahara, Akira","Structure d'un Diphosphate Synthétique de Cobalt: Co~2~P~2~O~7~","Acta Crystallographica Section C","1997","53","11","1523","1525","10.1107/S0108270197006689","","","0.71069","MoKα","","","0.04","","","","0.052","","","","1.31","1.31","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006668","16.921","0.002","4.5252","0.0004","17.898","0.002","90","","112.655","0.011","90","","1264.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","perilo(1,12-b,c,d)thiophene","","- C20 H10 S -","- C20 H10 S -","- C80 H40 S4 -","4","1","FG1306","Santos, Isabel C.; Almeida, Manuel; Morgado, Jorge; Duarte, M. Teresa; Alcácer, Luís","Perylo[1,12-<i>b</i>,<i>c</i>,<i>d</i>]thiophene","Acta Crystallographica Section C","1997","53","11","1640","1642","10.1107/S0108270197007907","","","0.71069","MoKα","","0.0873","0.04","","0.124","0.0901","","","","1.129","1.037","1.037","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006743","14.762","0.003","5.832","0.002","4.039","0.002","90","","112.78","0.02","90","","320.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","p-dichlorobenzene","","- C6 H4 Cl2 -","- C6 H4 Cl2 -","- C12 H8 Cl4 -","2","0.5","AB1477","Estop, Eugènia; Alvarez-Larena, Angel; Belaaraj, Abdesselam; Solans, Xavier; Labrador, Manuel","α-Phase <i>p</i>-Dichlorobenzene at 293K","Acta Crystallographica Section C","1997","53","12","1932","1935","10.1107/S0108270197007737","","","0.71069","MoKα","","0.0498","0.0495","","0.1361","0.1355","","","","1.069","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006758","7.027","0.004","12.436","0.003","14.39","0.004","90","","93.95","0.04","90","","1254.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,4-Dinitro-N,N-methylphenylamine","","- C13 H11 N3 O4 -","- C13 H11 N3 O4 -","- C52 H44 N12 O16 -","4","1","BM1140","Ellena, Javier; Punte, Graciela; Norma S. Nudelman","2,4-Dinitro-<i>N</i>,<i>N</i>-methylphenylaniline","Acta Crystallographica Section C","1997","53","12","1930","1932","10.1107/S0108270197007403","","","0.71073","MoKα","","0.1037","0.0449","","0.1574","0.107","","","","1.102","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006880","9.6988","0.0011","9.3056","0.0015","14.543","0.002","90","","93.311","0.012","90","","1310.4","0.3","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(4-Nitrophenyl)ferrocene","","- C16 H13 Fe N O2 -","- C16 H13 Fe N O2 -","- C64 H52 Fe4 N4 O8 -","4","1","SK1150","Gallagher, John F.; Ferguson, George; Ahmed, S. Zaka; Glidewell, Christopher; Lewis, Arwel","Accurate Redeterminations of 1,1'-Dibenzoylferrocene and (4-Nitrophenyl)ferrocene","Acta Crystallographica Section C","1997","53","12","1772","1775","10.1107/S0108270197012602","","","0.7107","MolybdenumKα","","0.0841","0.0403","","","","0.1015","","","","","","1","","","","has coordinates","192289","2020-10-21","18:00:00",""
"2006914","9.506","0.001","17.643","0.002","11.96","0.001","90","","91.65","0.01","90","","2005","0.4","294","","294","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H18 Br N O S -","- C22 H18 Br N O S -","- C88 H72 Br4 N4 O4 S4 -","4","1","FG1342","Fu, Tai Y.; Scheffer, John R.; Trotter, James","Photocleavage Reactions of Monothioimides","Acta Crystallographica Section C","1998","54","1","103","107","10.1107/S0108270197011645","","","1.5418","CuKα","","","0.0439","","","","0.1298","","","","","","3.63","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006941","8.994","0.003","16.534","0.004","9.428","0.002","90","","118.11","0.03","90","","1236.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Z)-3(H)-piperidinomethin-1,4-benzodioxin-2-one","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","LN1023","Bozzo, Concepción; Pujol, Maria D.; Solans, Xavier; Font-Bardia, Mercè","3-[(<i>Z</i>)-Piperidin-1-ylmethylidene]-2,3-dihydro-1,4-benzodioxan-2-one","Acta Crystallographica Section C","1998","54","1","79","81","10.1107/S0108270197012365","","","0.71069","MoKα","","0.104","0.066","","0.312","0.197","","","","0.985","1.071","1.071","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006950","8.142","0.001","13.393","0.001","14.822","0.001","90","","100.88","0.07","90","","1587.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Trimethyl isocyanurate","1,3,5-Trimethyl-1,3,5-triazine(1H,3H,5H)-2,4,6-trione","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C48 H72 N24 O24 -","8","2","OA1038","Thalladi, Venkat R.; Katz, Amy K.; Carrell, H. L.; Nangia, Ashwini; Desiraju, Gautam R.","Trimethyl Isocyanurate and Triethyl Isocyanurate","Acta Crystallographica Section C","1998","54","1","86","89","10.1107/S010827019701384X","","","0.71073","MoKα","","0.074","0.053","","0.163","0.152","","","","1.088","1.211","1.211","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007002","13.459","0.004","9.2087","0.0015","15.883","0.005","90","","98.87","0.04","90","","1945","0.9","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","(pyrazolo[3,4-d]pyrimidin-1-yl)alkane","1,3-bis(5-methyl-6-methylthio-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propane","","- C17 H20 N8 O2 S2 -","- C17 H20 N8 O2 S2 -","- C68 H80 N32 O8 S8 -","4","1","CF1197","Maulik, Prakas R.; Avasthi, Kamlakar; Biswas, Goutam; Biswas, Sampa; Rawat, Diwan S.; Sarkhel, Sanjay; Chandra, Tilak; Bhakuni, D. S.","A Stacked Pyrazolo[3,4-<i>d</i>]pyrimidine-Based Flexible Molecule","Acta Crystallographica Section C","1998","54","2","275","277","10.1107/S0108270197013309","","","0.71073","MoKα","","0.0851","0.0404","","0.1213","0.0993","","","","0.956","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007042","16.546","0.003","8.97","0.002","11.507","0.002","90","","98.9","0.02","90","","1687.3","0.6","298","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","[2-Benzylbis(salicylideneiminato)-N,N',O,O']copper(II)","","- C21 H16 Cu N2 O2 -","- C21 H16 Cu N2 O2 -","- C84 H64 Cu4 N8 O8 -","4","1","TA1184","Kani, Yoshiyuki; Ohba, Shigeru; Ishikawa, Takashi; Sakamoto, Masatomi; Nishida, Yuzo","{2-[2-(Salicylideneaminomethyl)phenylimino-methyl]phenolato(2‒)-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}copper(II)","Acta Crystallographica Section C","1998","54","2","191","193","10.1107/S0108270197013619","","","0.71073","MoKα","","","0.042","","","0.038","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007080","12.346","0.003","5.244","0.003","14.362","0.002","90","","94.77","0.02","90","","926.6","0.6","296","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","FR1089","Okabe, Nobuo; Adachi, Yukari","1<i>H</i>-Indole-3-propionic Acid","Acta Crystallographica Section C","1998","54","3","386","387","10.1107/S010827019701593X","","","0.71069","MoKα","","","0.042","","","0.045","","","","","1.63","1.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007163","11.617","0.002","6.643","0.006","20.868","0.002","90","","103.27","0.01","90","","1567.4","1.5","294","","294","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","FG1351","Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie","Structure and Photochemistry of Four Adamantylacetophenones","Acta Crystallographica Section C","1998","54","4","491","496","10.1107/S0108270197015862","","","1.5418","CuKα","","","0.057","","","","0.171","","","","","","1.673","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007181","8.546","0.001","17.865","0.002","15.044","0.002","90","","98.14","0.02","90","","2273.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C23 H23 N O8 S -","- C23 H23 N O8 S -","- C92 H92 N4 O32 S4 -","4","1","LN1030","Pèpe, Gérard; Jean-Claude Wallet; Amar Habsaoui; Emile M. Gaydou","<i>p</i>-Toluidinium 2'-Hydroxy-3'-methoxy-5'-flavonesulfonate Hydrate","Acta Crystallographica Section C","1998","54","4","525","527","10.1107/S0108270197015631","","","0.71073","MoKα","","0.0451","0.043","","0.088","0.0876","","","","1.003","1.194","1.194","","","","","has coordinates","281832","2023-03-13","07:44:32",""
"2007386","11.922","0.001","18.963","0.002","12.826","0.001","90","","90.83","0.01","90","","2899.4","0.5","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","8-Chloro-5-(4-chlorophenyl)-5H-indeno[1,2d]pyrimidine","","- C17 H10 Cl2 N2 -","- C17 H10 Cl2 N2 -","- C136 H80 Cl16 N16 -","8","2","SX1053","Caruso, Francesco; Rossi, Miriam","8-Chloro-5-(4-chlorophenyl)-5<i>H</i>-indeno-[1,2-<i>d</i>]pyrimidine","Acta Crystallographica Section C","1998","54","6","842","844","10.1107/S0108270198000572","","","1.54178","CuKα","","0.044","0.044","","0.056","0.056","","","","0.986","0.986","0.986","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2007421","12.704","0.002","15.788","0.004","16.676","0.002","90","","107.7","0.01","90","","3186.4","1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C152 H144 N16 O8 -","8","2","DE1064","R.V. Krishnakumar; S. Natarajan; V. Vijayabaskar; S. Perumal","Racemic 1-Acetyl-5-phenyl-3-styryl-2-pyrazoline","Acta Crystallographica Section C","1998","54","7","976","978","10.1107/S0108270198000146","","","0.71073","MoKα","","0.118","0.07","","0.148","0.135","","","","1.284","1.547","1.547","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007464","23.63","0.006","10.985","0.001","9.779","0.003","90","","91.06","0.01","90","","2538","1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Co(DH)~2~(4-^t^Bu-Py)(PhS)","Bis(dimethylglyoximato)(benzenethiolato)(4-tert- butylpyridine)Cobalt(III)","","- C23 H32 Co N5 O4 S -","- C23 H32 Co N5 O4 S -","- C92 H128 Co4 N20 O16 S4 -","4","1","OA1029","Inouye, Yoshinobu; Kambe, Tohru; Tada, Masaru","(Benzenethiolato-<i>S</i>)(4-<i>tert</i>-butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')cobalt(III) and (4-<i>tert</i>-Butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(4-methoxybenzenethiolato-<i>S</i>)cobalt(III)","Acta Crystallographica Section C","1998","54","7","945","947","10.1107/S0108270198001693","","","0.71073","MoKα","","0.054","0.034","","0.09","0.084","","","","1.076","1.1","1.1","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007466","13.367","0.003","10.019","0.002","15.554","0.002","90","","109.56","0.01","90","","1962.8","0.7","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","2,2-diphenyl-1,3,6,9,12-pentaoxacyclotetradecane","","- C21 H26 O5 -","- C21 H26 O5 -","- C84 H104 O20 -","4","1","OA1043","Hatsue Tamura; Shinya Ueno; Kazuhide Ogawa; Toshikazu Nagai; Takumi Oshima","Benzophenone Crown Ether Acetals with 14- and 17-Membered Rings","Acta Crystallographica Section C","1998","54","7","1049","1052","10.1107/S010827019800170X","","","0.7107","MoKα","","","0.05","","","0.057","","","","","1.71","1.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007513","11.715","0.002","11.385","0.005","16.071","0.003","90","","104.57","0.01","90","","2074.5","1.1","298.2","","298.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Carbonyl(1,3-diphenyl-1,3-propanedionato-κO,κO)(4-methyl-2,6,7-trioxa-1- phosphabicyclo[2.2.2]octane)rhodium(I)","","- C21 H20 O6 P Rh -","- C21 H20 O6 P Rh -","- C84 H80 O24 P4 Rh4 -","4","1","FG1391","Erasmus, Johannes J. C.; Lamprecht, Gert J.; Kohzuma, Takamitsu; Nakano, Yoshiharu","Carbonyl(1,3-diphenyl-1,3-propanedionato-<i>O</i>,<i>O</i>')(4-methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-<i>P</i>)rhodium(I)","Acta Crystallographica Section C","1998","54","8","1085","1087","10.1107/S0108270198002388","","","0.7107","MoKα","","0.069","0.052","","","","0.187","","","","","","1.175","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007572","13.323","0.002","7.8005","0.0009","15.324","0.002","90","","110.499","0.008","90","","1491.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","pptphe","N-tert-butyloxycarbonyl-N-benzylglycine","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C56 H76 N4 O16 -","4","1","SX1067","Doi, Mitsunobu; Kinoshita, Kazue; Asano, Akiko; Yoneda, Ryuji; Kurihara, Takushi; Ishida, Toshimasa","<i>N</i>-Benzyl-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)glycine, an <i>N</i>-Substituted Glycine (Peptoid) Monomer","Acta Crystallographica Section C","1998","54","8","1164","1165","10.1107/S0108270198002741","","","1.5418","CuKα","","0.095","0.068","","0.288","0.183","","","","1.167","1.176","1.176","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007598","14.685","0.002","8.679","0.003","17.769","0.003","90","","111.75","0.01","90","","2103.5","0.9","289.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 B2 F4 N2 O2 -","- C22 H24 B2 F4 N2 O2 -","- C88 H96 B8 F16 N8 O8 -","4","1","DE1049","Itoh, Kuniaki; Fujimoto, Miki; Hashimoto, Masao","1-Difluoroboronyloxy-3-(<i>N</i>-methylimino)-1-phenyl-1-butene and its Two Photoproducts","Acta Crystallographica Section C","1998","54","9","1324","1327","10.1107/S0108270197004332","","","0.7107","MoKα","","","0.0848","","","0.0518","","","","","1.341","1.341","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2007604","15.8782","0.0011","5.784","0.0009","17.1481","0.0009","90","","107.535","0.004","90","","1501.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","S-(ethenyl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximine","","- C15 H15 N O3 S2 -","- C15 H15 N O3 S2 -","- C60 H60 N4 O12 S8 -","4","1","FG1428","Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.","Conformational Variations in Vinylsulfoximines","Acta Crystallographica Section C","1998","54","9","1335","1341","10.1107/S0108270198004508","","","0.71069","MoKα","","0.04","0.03","","","","0.081","","","","","","1.081","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007659","10.892","0.006","15.82","0.01","8.223","0.003","90","","98.55","0.04","90","","1401.2","1.3","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-15(1),17-diene-16,19-dione","","- C14 H18 O7 -","- C14 H18 O7 -","- C56 H72 O28 -","4","1","OA1046","Akihiko Tsuda; Tatsuya Kawamoto; Takumi Oshima","2,3-Benzoquino[15]crown-5","Acta Crystallographica Section C","1998","54","9","1362","1364","10.1107/S010827019800287X","","","0.71073","MoKα","","","0.061","","","0.063","","","","","1.316","1.316","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007742","7.846","0.002","19.956","0.004","9.751","0.001","90","","94.6","0.01","90","","1521.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","6,7-dihydroxy-1-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride","6,7-dihydroxy-1-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolinium chloride","","- C16 H18 Cl N O3 -","- C16 H18 Cl N O3 -","- C64 H72 Cl4 N4 O12 -","4","1","NA1324","Olszak, Tomasz A.","X-ray Structure Investigations of Potential β-Blockers. III","Acta Crystallographica Section C","1998","54","10","1456","1459","10.1107/S0108270198005459","","","1.54178","CuKα","","0.076","0.033","","","","0.062","","","","","","0.751","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007745","11.301","0.002","8.665","0.001","13.422","0.001","90","","107.77","0.01","90","","1251.6","0.3","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C60 H52 N12 O4 -","4","1","NA1359","Kendi, Engin; Özbey, Süheyla; Karakurt, Arzu; Dalkara, Sevim","2-(Imidazol-1-yl)-1-(2-naphthyl)ethanone Oxime","Acta Crystallographica Section C","1998","54","10","1513","1515","10.1107/S0108270198005071","","","0.71069","MoKα","","","0.0452","","","0.0529","","","","","1.08","1.08","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007766","8.1259","0.0006","32.017","0.002","13.011","0.001","90","","103.065","0.007","90","","3297.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Bis(aquatriphenyltin) succinate^.^2[2,4,6-tris(2-pyridyl)-1,3,5-triazine]","","- C76 H62 N12 O6 Sn2 -","- C76 H62 N12 O6 Sn2 -","- C152 H124 N24 O12 Sn4 -","2","0.5","SK1192","Ng, Seik Weng","Outer-Sphere Coordination of a Multidentate <i>N</i>-Heterocycle to Tin Through Water: Monoclinic and Triclinic Modifications of μ-Succinato-bis(aquatriphenyltin)‒2,4,6-Tris(2-pyridyl)-1,3,5-triazine (1/2)","Acta Crystallographica Section C","1998","54","10","1386","1389","10.1107/S0108270198004776","","","0.71073","MoKα","","0.073","0.0397","","","","0.0848","","","","","","0.99","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007768","8.9189","0.0011","18.2124","0.0014","16.813","0.002","90","","103.134","0.011","90","","2659.6","0.5","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1,4-Dimethylpyridinium [1,3-dithiole-2-thione-4,5-dithiolato)diphenyl(thiocyanato-N)stannate(1-)]","","- C23 H20 N2 S6 Sn -","- C23 H20 N2 S6 Sn -","- C92 H80 N8 S24 Sn4 -","4","1","SK1198","Khan, Abdullah; Low, John N.; Wardell, James L.; Ferguson, George","1,4-Dimethylpyridinium (1,3-dithiole-2-thione-4,5-dithiolato)(isothiocyanato)diphenylstannate(1‒)","Acta Crystallographica Section C","1998","54","10","1399","1401","10.1107/S0108270198005496","","","0.7107","MoKα","","0.07","0.038","","","","0.096","","","","","","1.004","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007827","13.385","0.004","5.215","0.001","22.159","0.004","90","","107.29","0.04","90","","1476.9","0.7","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","L'Anhydride Cis-1,2,3,6-Tétrahydrophtalique","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","2","GS1003","Ben Fredj, Arij; Ben Redjeb, Sadok; Ben Amor, Fatma; Driss, Ahmed","L'Anhydride <i>cis</i>-1,2,3,6-Tétrahydrophtalique","Acta Crystallographica Section C","1998","54","11","1710","1712","10.1107/S0108270198006957","","","0.71069","MoKα","","0.091","0.045","","0.114","0.099","","","","1.082","1.252","1.252","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007978","8.041","0.002","15.768","0.003","14.549","0.002","90","","91.73","0.02","90","","1843.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","dichlorobis(5-phenylpyrazole)copper(II)","","- C18 H16 Cl2 Cu N4 -","- C18 H16 Cl2 Cu N4 -","- C72 H64 Cl8 Cu4 N16 -","4","1","NA1369","Małecka, Magdalena; Grabowski, Mieczysław J.; Olszak, Tomasz A.; Kostka, K.; Strawiak, M.","Investigations of Complexes of Copper(II) Chloride with Phenylpyrazoles","Acta Crystallographica Section C","1998","54","12","1770","1773","10.1107/S0108270198008786","","","1.5418","CuKα","","0.086","0.045","","","","0.11","","","","","","0.824","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008005","14.645","0.001","11.634","0.001","17.832","0.003","90","","110.1","0.02","90","","2853.2","0.7","190","2","190","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","3-Hydroxy-2-ethyl-1-4trifluoromethylbenzyl-pyridin-4-one","","- C15 H15 F3 N O2.5 -","- C15 H15 F3 N O2.5 -","- C120 H120 F24 N8 O20 -","8","2","OS1028","Burgess, John; Fawcett, John; Russell, David R.; Waltham, Emma","Four <i>N</i>-Benzyl-Substituted 2-Ethyl-3-hydroxypyridin-4-ones","Acta Crystallographica Section C","1998","54","12","2011","2015","10.1107/S0108270198008488","","","0.71073","MoKα","","0.128","0.067","","0.165","0.133","","","","1.023","1.096","1.096","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008059","11.129","0.001","8.247","0.001","5.5395","0.0003","90","","100.88","0.01","90","","499.28","0.08","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Bloedite","","","- H8 Mg Na2 O12 S2 -","- H8 Mg Na2 O12 S2 -","- H16 Mg2 Na4 O24 S4 -","2","0.5","BR1219","Vizcayno, Carmen; Garcia-Gonzalez, M. Teresa","Na~2~Mg(SO~4~)~2~.4H~2~O, the Mg end-member of the bloedite-type of mineral","Acta Crystallographica Section C","1999","55","1","8","11","10.1107/S0108270198011135","","","0.7107","MoKα","","0.0294","0.0289","","0.079","0.078","","","","1.207","1.201","1.201","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008098","15.146","0.006","10.936","0.004","4.328","0.001","90","","97.5","0.02","90","","710.7","0.4","296","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C7 H6 N4 -","- C7 H6 N4 -","- C28 H24 N16 -","4","1","OA1063","Takehiro Matsunaga; Yoshio Ohno; Yoshiaki Akutsu; Mitsuru Arai; Masamitsu Tamura; Mitsuaki Iida","1-Phenyltetrazole","Acta Crystallographica Section C","1999","55","1","129","131","10.1107/S0108270198009718","","","0.71073","MoKα","","","0.053","","","","0.041","","","","","","1.406","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008099","19.87","0.007","4.731","0.007","14.813","0.007","90","","121.98","0.04","90","","1181","2","296.2","","296.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","β phthalocyanine","","- C32 H18 N8 -","- C32 H18 N8 -","- C64 H36 N16 -","2","0.5","OA1066","Shinya Matsumoto; Keiji Matsuhama; Jin Mizuguchi","β Metal-free phthalocyanine","Acta Crystallographica Section C","1999","55","1","131","133","10.1107/S0108270198011020","","","0.7107","MoKα","","0.1018","0.0552","","0.0688","0.0592","","","","1.124","1.182","1.182","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008141","8.038","0.002","20.482","0.004","13.677","0.003","90","","91.76","0.02","90","","2250.6","0.9","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H18 Cr O4 -","- C28 H18 Cr O4 -","- C112 H72 Cr4 O16 -","4","1","DA1035","Hannesschlager, Patrick; Brun, Pierre; Pèpe, Gérard","Tricarbonyl[(6a,7,8,9,10,10a-η)-3,3-diphenyl-3<i>H</i>-benzo[<i>f</i>]chromene]chromium","Acta Crystallographica Section C","1999","55","2","200","202","10.1107/S0108270198012104","","","0.71073","MoKα","","0.0441","0.0397","","0.0789","0.0773","","","","0.808","0.987","0.987","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008274","8.001","0.001","15.639","0.001","16.405","0.001","90","","94.15","0.01","90","","2047.3","0.3","298","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C88 H104 N8 O12 -","4","1","KA1300","Hökelek, Tuncer; Kılıç, Zeynel; Bi̇lge, Selen","5,6,7,8,9,10,11,12,18,19,21,22-Dodecahydro-8,9:18,19-dibenzo-1,4,7-trioxa-11,16-diazacyclononadeca-10,16-diene","Acta Crystallographica Section C","1999","55","3","381","383","10.1107/S0108270198013687","","","0.71073","MoKα","","","0.064","","","0.06","","","","","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008337","15.64","0.004","22.765","0.006","5.681","0.001","90","","92.663","0.005","90","","2020.5","0.8","295","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N,N-Bis(p-nitrophenylsulfonyl)cyclohexylamine","","- C18 H19 N3 O8 S2 -","- C18 H19 N3 O8 S2 -","- C72 H76 N12 O32 S8 -","4","1","DA1049","Brunzelle, Joseph S.; Curtis-Palmer, Veronica A.; Pavkovic, Stephen F.","<i>N</i>,<i>N</i>-Bis(<i>p</i>-nitrophenylsulfonyl)cyclohexylamine","Acta Crystallographica Section C","1999","55","4","624","626","10.1107/S0108270198017612","","","0.7107","MoKα","","0.0639","0.039","","0.1043","0.0969","","","","1.004","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008342","18.178","0.003","9.233","0.004","30.904","0.007","90","","101.3","0.01","90","","5086","3","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","Chloro(diethyl dithiophosphato-S,S')(triphenylphosphine-P)palladium(II)","","- C22 H25 Cl O2 P2 Pd S2 -","- C22 H25 Cl O2 P2 Pd S2 -","- C176 H200 Cl8 O16 P16 Pd8 S16 -","8","2","DE1097","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Narayan, Sanjay; Jain, Vimal K.","Chloro(diethyl dithiophosphato-<i>S</i>,<i>S</i>')(triphenylphosphine-<i>P</i>)palladium(II)","Acta Crystallographica Section C","1999","55","4","541","543","10.1107/S0108270198014905","","","0.71073","MoKα","","0.081","0.053","","0.217","0.159","","","","1.07","0.902","0.902","","","","","has coordinates","198633","2020-10-21","18:00:00",""
"2008415","7.361","0.003","16.269","0.004","9.622","0.003","90","","97.6","0.03","90","","1142.2","0.7","299","","299","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","N,N'-bis(2-hydroxybenzyl)-1,2-diphenylethylenediamine","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C56 H56 N4 O4 -","2","0.5","QB0084","Hoshina, Gakuse; Ohba, Shigeru; Tsuchimoto, Masanobu","(<i>RS</i>,<i>SR</i>)-<i>N</i>,<i>N</i>'-Bis(2-hydroxybenzyl)-1,2-diphenylethylenediamine","Acta Crystallographica Section C","1999","55","4","IUC9900030","","10.1107/S0108270199099552","","","0.71073","MoKα","","0.125","0.066","","","","0.201","","","","","","1.048","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008504","11.337","0.002","9.96","0.002","11.423","0.002","90","","117.15","0.01","90","","1147.7","0.4","297","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","4,4-Dimethyltricyclo[6.3.0.0^1,7^]undecane-2,6-dione","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","QB0094","Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru","<i>cis</i>-4,4-Dimethyltricyclo[6.3.0.0^1,7^]undecane-2,6-dione","Acta Crystallographica Section C","1999","55","5","IUC9900039","","10.1107/S0108270199099412","","","0.71073","MoKα","","","0.065","","","","0.076","","","","","","1.09","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008555","10.431","0.002","17.795","0.003","10.685","0.002","90","","114.4","0.01","90","","1806.2","0.6","299","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetrakis(μ-1-methylpyrrole-2-carboxylato-O,O')-dipyridinecopper(II)","","- C36 H38 Cu2 N6 O8 -","- C36 H38 Cu2 N6 O8 -","- C72 H76 Cu4 N12 O16 -","2","0.5","DA1057","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Hideaki, Matsushima; Tokii, Tadashi","A monomeric and a dimeric copper(II) trigonelline adduct with chloride, and a dimeric copper(II) 1-methyl-2-pyrrolecarboxylate adduct with 3-methylpyridine","Acta Crystallographica Section C","1999","55","6","882","886","10.1107/S0108270199001985","","","0.71073","MoKα","","","0.052","","","0.043","","","","","1.26","1.26","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008773","12.248","0.002","14.377","0.001","19.15","0.002","90","","103.547","0.011","90","","3278.3","0.7","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Hydroxotriphenyltin 2,6-di(2-benzimidazolyl)pyridine hydrate (1:1:1)","","- C37 H31 N5 O2 Sn -","- C37 H31 N5 O2 Sn -","- C148 H124 N20 O8 Sn4 -","4","1","FG1540","Lo, Kong Mun; Kumar Das, V.G.; Ng, Seik Weng","Hydroxotriphenyltin 2,6-bis(1<i>H</i>-benzimidazol-2-yl)pyridine hydrate","Acta Crystallographica Section C","1999","55","8","1234","1236","10.1107/S0108270199004072","","","0.71073","MoKα","","0.088","0.052","","","","0.127","","","","","","0.959","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008893","10.574","0.003","16.812","0.002","12.882","0.002","90","","102.15","0.02","90","","2238.7","0.8","170","1","170","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Tri-n-Butyltin N-maleoyl-β-alaninate","Tri-n-butyltin N-maleoyl-β-alaninate","","- C19 H33 N O4 Sn -","- C19 H33 N O4 Sn -","- C76 H132 N4 O16 Sn4 -","4","1","FG1551","Parvez, Masood; Ali, Saqib; Bhatti, Moazzam Hussain; Khokhar, Muhammad Nawaz; Mazhar, Muhammad; Qureshi, Sajid Iqbal","Tri-<i>n</i>-butyl(<i>N</i>-maleoyl-β-alaninato)tin","Acta Crystallographica Section C","1999","55","9","1427","1429","10.1107/S010827019900743X","","","0.71069","MoKα","","0.107","0.039","","","","0.141","","","","","","1.02","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009004","21.148","0.002","5.16","0.002","4.94","0.001","90","","96.69","0.01","90","","535.4","0.2","298.2","","298.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","1,10-decanediol","","","- C10 H22 O2 -","- C10 H22 O2 -","- C20 H44 O4 -","2","0.5","CF1316","Nakamura, Naotake; Sato, Taketoshi","1,10-Decanediol","Acta Crystallographica Section C","1999","55","10","1685","1687","10.1107/S0108270199008318","","","1.5418","CuKα","","0.0607","0.0391","","0.0731","","0.0626","","","1.359","","","1.399","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009031","11.848","0.002","7.9903","0.0015","18.29","0.007","90","","95.59","0.03","90","","1723.3","0.8","293","3","293","3","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","[Benzoylacetone S-methylisothiosemicarbazonato(2-)]pyridinenickel(II)","","- C17 H18 N4 Ni O S -","- C17 H18 N4 Ni O S -","- C68 H72 N16 Ni4 O4 S4 -","4","1","NA1411","Bogdanović, Goran A.; Spasojević-de Biré, Anne; Leovac, Vukadin M.; Češljević, Valerija I.","Transition metal complexes with thiosemicarbazide-based ligands. XXXIX. [Benzoylacetone 3-methylisothiosemicarbazonato(2 ‒)-<i>O</i>,<i>N</i>^1^,<i>N</i>^4^](pyridine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1999","55","10","1656","1658","10.1107/S0108270199004746","","","0.71073","MoKα","","0.077","0.033","","0.101","","0.09","","","1.021","","","1.194","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009048","9.152","0.001","20.886","0.001","9.555","0.001","90","","97.57","0.01","90","","1810.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H28 N2 O7 Pt -","- C14 H28 N2 O7 Pt -","- C56 H112 N8 O28 Pt4 -","4","1","OB1013","Yuge, Hidetaka; Miyamoto, Takeshi Ken","Bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(ethylenediamine-<i>N</i>,<i>N</i>')platinum(II) trihydrate and bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(<i>N</i>,<i>N</i>-dimethylethylenediamine-<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","1999","55","10","1617","1620","10.1107/S0108270199008069","","","0.71069","MoKα","","0.041","0.025","","","","0.058","","","","","","1.037","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009064","8.1911","0.0003","9.0791","0.0003","19.2164","0.0008","90","","97.7742","0.0019","90","","1415.95","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","5-Methyl-3-(1-oxo-nonyl)-1,3,4-thiadiazole-2(3H)-2-thione","","- C12 H20 N2 O S2 -","- C12 H20 N2 O S2 -","- C48 H80 N8 O4 S8 -","4","1","QA0175","Low, John Nicolson; Cook, Andrew; Imrie, Corrie T.; Wardell, James L.","5-Methyl-3-nonanoyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione and 3-decanoyl-5-methyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","1999","55","10","IUC9900123","","10.1107/S0108270199098716","","","0.71073","MoKα","","0.0784","0.0434","","","","0.1256","","","","","","1.036","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009065","8.0494","0.0007","9.2472","0.0004","20.1232","0.0016","90","","94.709","0.003","90","","1492.8","0.19","150","0.1","150","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","5-Methyl-3-(1-oxo-decyl)-1,3,4-thiadiazole-2(3H)-2-thione","","- C13 H22 N2 O S2 -","- C13 H22 N2 O S2 -","- C52 H88 N8 O4 S8 -","4","1","QA0175","Low, John Nicolson; Cook, Andrew; Imrie, Corrie T.; Wardell, James L.","5-Methyl-3-nonanoyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione and 3-decanoyl-5-methyl-1,3,4-thiadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","1999","55","10","IUC9900123","","10.1107/S0108270199098716","","","0.71073","MoKα","","0.1175","0.0572","","","","0.1058","","","","","","1.034","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009074","10.1911","0.0011","11.3039","0.0013","11.0983","0.0011","90","","115.83","0.002","90","","1150.8","0.2","295","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H12 Cl N O2 -","- C11 H12 Cl N O2 -","- C44 H48 Cl4 N4 O8 -","4","1","SK1291","Arici, Cengiz; Tahir, M. Nawaz; Ülkü, Dinçer; Atakol, Orhan","4-Chloro-2-(4-oxopent-2-en-2-ylamino)phenol","Acta Crystallographica Section C","1999","55","10","1691","1692","10.1107/S0108270199008501","","","0.71073","MoKα","","","0.036","","","","0.045","","","","","","0.96","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009104","8.045","0.002","18.037","0.002","10.056","0.001","90","","99.27","0.01","90","","1440.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetrakis(Cyclopropylammonium)Cyclotetraphosphate Tetrahydrate","","- C12 H40 N4 O16 P4 -","- C12 H40 N4 O16 P4 -","- C24 H80 N8 O32 P8 -","2","0.5","CF1294","Soumhi, El Hassane; Saadoune, Ismael; Driss, Ahmed; Jouini, Tahar","Tetrakis(cyclopropylammonium) cyclotetraphosphate tetrahydrate","Acta Crystallographica Section C","1999","55","11","1932","1934","10.1107/S010827019900877X","","","0.71069","MoKα","","0.0396","0.0335","","","","0.0906","","","","","","1.058","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009156","7.483","0.004","15.061","0.004","18.836","0.005","90","","99.7","0.04","90","","2092.5","1.4","295.2","","295.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H16 F12 N4 P2 Pt -","- C14 H16 F12 N4 P2 Pt -","- C56 H64 F48 N16 P8 Pt4 -","4","1","OA1091","Kato, Masako; Takahashi, Junko","Anion-controlled π-stacks of (ethylenediamine-<i>N</i>,<i>N</i>')(1,10-phenanthroline-<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","1999","55","11","1809","1812","10.1107/S0108270199008859","","","0.7107","MoKα","","0.061","0.046","","0.669","","0.127","","","5.962","","","1.306","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2009193","9.877","0.001","4.737","0.001","12.877","0.001","90","","112.044","0.002","90","","558.44","0.14","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","DL-cysteine","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","SK1312","Luger, Peter; Weber, Manuela","<small>DL</small>-Cysteine at 298K","Acta Crystallographica Section C","1999","55","11","1882","1885","10.1107/S0108270199009208","","","0.71073","MoKα","","0.074","0.06","","","","0.202","","","","","","1.06","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009389","13.693","0.006","14.731","0.015","8.737","0.005","90","","106.51","0.05","90","","1690","2","299","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C15 H22 F N O4 S -","- C15 H22 F N O4 S -","- C60 H88 F4 N4 O16 S4 -","4","1","HL1027","Kim, M.-J.; Lee, Y.-B.; Kim, D.-W.; Lim, S.-S.; Lee, J.-H.; Ryu, B.-Y.; Suh, I.-H.","Structure of 2-(1-acetoxy-2-fluoropropyl)-<i>N</i>-<i>tert</i>-butylbenzenesulfonamide","Acta Crystallographica Section C","1994","50","1","103","106","10.1107/S0108270193005372","","","0.71069","MoKα","","","0.0598","","","0.067","","","","","3.5233","3.5233","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009392","9.892","0.002","9.846","0.001","14.169","0.002","90","","107.52","0.01","90","","1316","0.4","292","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C52 H64 N8 O12 -","4","1","LI1048","Zukerman-Schpector, J.; Pinto, A.Da C.; Silva, J.F.M.Da; Silva, R.B.Da","Structure of 2'-(<i>N</i>-isopropyloxamoyl)acetanilide, C~13~H~16~N~2~O~3~","Acta Crystallographica Section C","1994","50","1","87","88","10.1107/S0108270193004834","","","0.71073","MoKα","","","0.053","","","0.059","","","","","1.69","1.69","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009450","7.134","0.003","20.971","0.006","7.635","0.002","90","","122.28","0.01","90","","965.7","0.6","293","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","trans-dichlorobis(metronidazole)palladium(II)","","- C12 H18 Cl2 N6 O6 Pd -","- C12 H18 Cl2 N6 O6 Pd -","- C24 H36 Cl4 N12 O12 Pd2 -","2","0.5","GR1010","De Bondt, Hendrik L.; Blaton, N.M.; Peeters, O.M.; De Ranter, C.J.","<i>trans</i>-Dichlorobis(metronidazole)palladium(II), [PdCl~2~(C~6~H~9~N~3~O~3~)~2~]","Acta Crystallographica Section C","1994","50","2","180","181","10.1107/S0108270193006882","","","0.71073","MoKα","","","0.031","","","0.034","","","","","1.252","1.252","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009468","7.431","0.003","21.3","0.009","8.838","0.005","90","","90.42","0.04","90","","1398.8","1.1","295","2","295","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","calcium bis(phosphoglycolate) dihydrate","","- C4 H12 Ca O14 P2 -","- C4 H12 Ca O14 P2 -","- C16 H48 Ca4 O56 P8 -","4","1","MU1054","Lis, Tadeusz","Zinc(II) bis(phosphoglycolate) dihydrate and calcium bis(phosphoglycolate) dihydrate","Acta Crystallographica Section C","1994","50","2","181","185","10.1107/S0108270193007711","","","1.5418","CuKα","","","0.0418","","","0.0678","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009469","8.745","0.004","19.207","0.003","10.981","0.003","90","","92.23","0.03","90","","1843","1","133","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C19 H19 B F2 O6 -","- C19 H19 B F2 O6 -","- C76 H76 B4 F8 O24 -","4","1","MU1058","Stomberg, R.; Li, S.; Lundquist, K.","[2,3-Bis(3,4-dimethoxyphenyl)-3-oxopropanalato-<i>O</i>,<i>O</i>']difluoroboron(III)","Acta Crystallographica Section C","1994","50","2","214","217","10.1107/S0108270193007759","","","0.71069","MoKα","","","0.04","","","0.045","","","","","1.69","1.69","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009479","11.679","0.002","8.301","0.001","13.554","0.001","90","","91.97","0.02","90","","1313.2","0.3","292","","292","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-{[5-Phenyl-1,3,4(3H)-thiadiazin-2-yl]imino}-3-pyridinol","","- C14 H12 N4 O S -","- C14 H12 N4 O S -","- C56 H48 N16 O4 S4 -","4","1","NA1048","Josef Macíček; Olyana Angelova; Veneta Kalcheva; Madlena Tosheva","2-[(5-Phenyl-2,3-dihydro-6<i>H</i>-1,3,4-thiadiazin-2-ylidene)amino]-3-pyridinol","Acta Crystallographica Section C","1994","50","2","252","254","10.1107/S0108270193011916","","","0.71073","MoKα","","0.114","0.034","","0.059","0.03","","","","2.171","1.48","1.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009497","10.904","0.001","10.3686","0.0008","13.887","0.002","90","","102.132","0.007","90","","1535","0.3","251","","251","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1-(1,2,6,7,8,8a-hexahydro-3,6,6,8a-tetramethylacenaphthylen-4-yl)ethan-1-one","","- C18 H24 O -","- C18 H24 O -","- C72 H96 O4 -","4","1","SH1068","De Ridder, Dirk J.A.; Goubitz, Kees; Schenk, Henk","Crystal studies of musk compounds. V. Structure of 1-(1,2,6,7,8,8a-hexahydro-3,6,6,8a-tetramethylacenaphthylen-4-yl)ethan-1-one","Acta Crystallographica Section C","1994","50","2","265","267","10.1107/S0108270193006821","","","1.5418","CuKα","","0.057","0.057","","0.067","0.067","","","","0.14","0.14","0.14","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2009582","13.844","0.004","25.734","0.01","9.59","0.002","90","","107.58","0.02","90","","3257","1.8","293","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C36 H42 N2 O4 Yb -","- C36 H42 N2 O4 Yb -","- C144 H168 N8 O16 Yb4 -","4","1","AL1064","Abrahams, C.T.; Deacon, G.B.; Gatehouse, B.M.; Ward, G.N.","<i>cis</i>-Bis(9-carbazolyl)(1,2-dimethoxyethane)-<i>cis</i>-bis(tetrahydrofuran)ytterbium(II)","Acta Crystallographica Section C","1994","50","4","504","507","10.1107/S010827019300931X","","","0.7107","MoKᾱ","","","0.0775","","","0.0626","","","","","2.48","2.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009618","9.301","0.002","12.468","0.004","10.72","0.003","90","","99.48","0.02","90","","1226.2","0.6","293","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C18 H26 Cl2 Cu2 N4 O10 -","- C18 H26 Cl2 Cu2 N4 O10 -","- C36 H52 Cl4 Cu4 N8 O20 -","2","0.5","HE1005","Mukherjee, M.; Mukherjee, A. K.; Datta, S. J.; Nanda, K. K.; Helliwell, M.","A dinuclear copper(II) complex [Cu~2~<i>L</i>~2~](ClO~4~)~2~ derived from 2,6-bis(aminomethyl)-4-methylphenol (H<i>L</i>)","Acta Crystallographica Section C","1994","50","4","542","544","10.1107/S0108270193010121","","","1.5418","CuKα","","","0.046","","","0.052","","","","","1.01","1.01","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2009638","9.681","0.002","22.465","0.006","10.463","0.005","90","","113.9","0.2","90","","2080","3","293","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C21 H26 I N O3 -","- C21 H26 I N O3 -","- C84 H104 I4 N4 O12 -","4","1","NA1044","Sabatino, P.; Recanatini, M.; Tumiatti, V.; Melchiorre, C.","Structural studies on the antimuscarinic agents spiro-DAMP and hydroxy-DAMP, and comparison with related compounds","Acta Crystallographica Section C","1994","50","4","640","645","10.1107/S0108270193010017","","","0.71069","MoKα","","","0.043","","","0.046","","","","","1.5","1.5","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009693","16.197","0.006","9.141","0.002","19.54","0.001","90","","99.28","0.01","90","","2855.2","1.2","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-Diethoxyphosphoryl-5,6-dihydro-1,3-dithiolo[4,5-b][1,4]dithiin","","- C9 H15 O3 P S4 -","- C9 H15 O3 P S4 -","- C72 H120 O24 P8 S32 -","8","2","HA1077","Kelkar, Shripad V.; Kilburn, Jeremy D.; Webster, Michael","Diethyl 5,6-dihydro-2<i>H</i>-1,3-dithiolo[4,5-<i>b</i>][1,4]dithiin-2-ylphosphonate, C~9~H~15~O~3~PS~4~","Acta Crystallographica Section C","1994","50","5","724","726","10.1107/S0108270193011941","","","0.71069","MoKα","","","0.0265","","","0.0367","","","","","0.31","0.31","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009725","8.246","0.006","11.016","0.003","14.74","0.004","90","","96.84","0.04","90","","1329.4","1.1","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","OH1051","Hirota, T.; Sasaki, K.; Yamamoto, H.; Mori, K.; Kashino, S.","Anomalous products formed from <i>N</i>-(5,6-dihydrobenzo[<i>h</i>]quinazolin-4-yl)amidines and hydroxylamine hydrochloride","Acta Crystallographica Section C","1994","50","5","807","810","10.1107/S0108270193010583","","","0.71073","MoKα","","","0.041","","","0.031","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009733","8.31","0.002","16.473","0.007","10.32","0.005","90","","113.6","0.03","90","","1294.6","0.9","293","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C11 H11 N O2 S3 -","- C11 H11 N O2 S3 -","- C44 H44 N4 O8 S12 -","4","1","SH1057","Krüger, P.; Kustos, M.; Steudel, R.","Methyl 3-(1,3-benzothiazol-2-yldithio)propanoate, C~11~H~11~NO~2~S~3~","Acta Crystallographica Section C","1994","50","5","767","769","10.1107/S0108270193008418","","","0.71069","MoKα","","","0.0422","","","0.0422","","","","","0.89","0.89","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009745","12.628","0.002","14.679","0.004","13.644","0.003","90","","102.25","0.02","90","","2471.6","1","183","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C13 H37 Li O2 Se Si4 -","- C13 H37 Li O2 Se Si4 -","- C52 H148 Li4 O8 Se4 Si16 -","4","1","ST1075","Flick, Karen E.; Bonasia, Philip J.; Gindelberger, David E.; Katari, Janet E. B.; Schwartz, David","Lithium tris(trimethylsilyl)silylselenolate mono(1,2-dimethoxyethane)","Acta Crystallographica Section C","1994","50","5","674","675","10.1107/S0108270193007206","","","0.71073","MoKα","","","0.028","","","0.03","","","","","1.129","1.129","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009753","13.5889","0.0017","13.752","0.003","9.7843","0.001","90","","101.785","0.01","90","","1789.9","0.5","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetracarbonyl[1-phenyl-N-(2-pyridylmethylidene)ethylamine-N,N']molybdenum(0)","","- C18 H14 Mo N2 O4 -","- C18 H14 Mo N2 O4 -","- C72 H56 Mo4 N8 O16 -","4","1","AB1177","Alyea, Elmer C.; Ferguson, George; Jain, Vimal K.","Tetracarbonyl[1-phenyl-<i>N</i>-(2-pyridylmethylidene)ethylamine-<i>N</i>,<i>N</i>']molybdenum(0)","Acta Crystallographica Section C","1994","50","6","854","857","10.1107/S0108270194003197","","","0.71069","MoKα","","0.025","0.025","","0.031","0.031","","","","","1","1","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009771","11.426","0.001","16.09","0.001","11.359","0.001","90","","118.37","0.01","90","","1837.5","0.3","296","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H21 N5 O3 S -","- C22 H17 N5 O3 S2 -","- C88 H68 N20 O12 S8 -","4","1","HA1059","Das, A. K.; Datta, M.; Mazumdar, S. K.; Bhaumik, G.; Mazumdar, B.; Talapatra, S. K.","2,3-Dihydro-6-hydroxy-1,3-dimethyl-7-propyl-9-(2-thienylmethyl)pyrimido[2,1-<i>f</i>]purine-4,8(1<i>H</i>,9<i>H</i>)-dione","Acta Crystallographica Section C","1994","50","6","952","954","10.1107/S0108270193011461","","","1.54178","CuKα","","","0.068","","","0.068","","","","","1.03","1.03","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009801","9.943","0.001","8.402","0.001","10.22","0.001","90","","101.18","0.01","90","","837.59","0.16","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Structure of 5-nitro-2-furaldehyde-semicarbazone","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C24 H24 N16 O16 -","4","1","NA1082","Olszak, Tomasz A.; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.","5-Nitro-2-furaldehyde semicarbazone","Acta Crystallographica Section C","1994","50","6","948","950","10.1107/S0108270194000119","","","0.71069","MoKα","","","0.0428","","","0.0765","","","","","0.939","0.939","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009877","16.045","0.007","11.868","0.004","9.828","0.005","90","","104.74","0.02","90","","1809.9","1.4","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Bis(2-acetylamino-1,3,5-thiadiazole-2-sulfon)amide Dihydrate","","- C8 H13 N7 O8 S4 -","- C8 H13 N7 O8 S4 -","- C32 H52 N28 O32 S16 -","4","1","KA1039","Vinković, Mladen; Mutak, Stjepan; Nagl, Ante; Kamenar, Boris","Bis(5-acetylamino-1,3,4-thiadiazole-2-sulfon)amide dihydrate","Acta Crystallographica Section C","1994","50","7","1099","1101","10.1107/S010827019300770X","","","0.7107","MoKα","","","0.043","","","0.065","","","","","0.796","0.796","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2009890","7.537","0.002","10.992","0.001","12.67","0.002","90","","100.59","0.01","90","","1031.8","0.3","300","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C7 H5 As3 Cr O2 -","- C7 H5 As3 Cr O2 -","- C28 H20 As12 Cr4 O8 -","4","1","OH1050","Chen, W.; Goh, L. Y.; Wong, R. C. S.","A <i>cyclo</i>-triarsenic complex of chromium","Acta Crystallographica Section C","1994","50","7","998","1000","10.1107/S0108270193010650","","","0.71073","MoKα","","","0.038","","","0.043","","","","","0.658","0.658","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009897","11.095","0.003","11.384","0.002","8.408","0.002","90","","102.91","0.02","90","","1035.1","0.4","295","","295","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis(4-nitropyridine N-oxide)cobalt nitrate tetrahydrate","","- C10 H16 Co N6 O16 -","- C10 H16 Co N6 O16 -","- C20 H32 Co2 N12 O32 -","2","0.5","PA1074","Bagieu-Beucher, Muriel; Le Fur, Yvette; Levy, Jean-Pierre; Pécaut, Jacques","Two 4-nitropyridine <i>N</i>-oxide adducts: (C~5~H~4~N~2~O~3~)~2~.AgNO~3~ and (C~5~H~4~N~2~O~3~)~2~.Co(NO~3~)~2~.4H~2~O","Acta Crystallographica Section C","1994","50","7","1079","1084","10.1107/S0108270193012119","","","0.5608","AgKα","","0.024","0.024","","0.027","0.027","","","","0.63","0.63","0.63","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2009912","12.536","0.001","12.867","0.002","17.759","0.002","90","","93.01","0.01","90","","2860.6","0.6","293","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C11 H20 Cl2 Pd Si -","- C17.5 H20 Cl4 Pd2 Si -","- C140 H160 Cl32 Pd16 Si8 -","8","2","AB1098","Begum, N. S.; Bandodakar, B. S.; Nagendrappa, G.","Dichloro(1-trimethylsilyl-1,5-cyclooctadiene)palladium(II)","Acta Crystallographica Section C","1994","50","8","1227","1231","10.1107/S0108270194000454","","","0.71079","MoKα","","","0.037","","","0.044","","","","","0.89","0.89","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009923","9.027","0.004","10.561","0.004","11.768","0.004","90","","98.81","0.03","90","","1108.7","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(E)-2-(1-Hydroxy-1-methyl-2-oxopropyl)-2-(methyl-thio)thiolane 1-oxide","","- C9 H16 O3 S2 -","- C9 H16 O3 S2 -","- C36 H64 O12 S8 -","4","1","AB1150","Brunck, Jörg-Stephan; Voss, Jürgen; Viebrock, Heiko; Olbrich, Falk","Configuration of (<i>E</i>)-2-(1-hydroxy-1-methyl-2-oxopropyl)-2-(methylthio)thiolane <i>S</i>-oxide","Acta Crystallographica Section C","1994","50","8","1370","1372","10.1107/S0108270194002799","","","0.71073","MoKα","","0.0642","0.0516","","0.1617","0.1418","","","","1.286","1.257","1.257","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009927","18.267","0.001","13.738","0.001","11.816","0.001","90","","102.139","0.005","90","","2898.9","0.4","296","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H24 Mo N2 O4 -","- C8 H24 Mo N2 O4 -","- C64 H192 Mo8 N16 O32 -","8","2","AL1071","Román, P.; José, A. S.; Luque, A.; Gutiérrez-Zorrilla, J. M.; Martínez-Ripoll, M.","Bis(<i>tert</i>-butylammonium) molybdate(VI)","Acta Crystallographica Section C","1994","50","8","1189","1191","10.1107/S0108270193014519","","","0.71069","MoKα","","","0.07","","","0.084","","","","","1.195","1.195","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009968","13.316","0.005","11.192","0.001","14.935","0.005","90","","100.39","0.02","90","","2189.3","1.1","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C9 H9 N5 O4 -","- C9 H9 N5 O4 -","- C72 H72 N40 O32 -","8","2","HL1044","Lynch, D. E.; Smith, G.; Byriel, K. A.; Kennard, C. H. L.","Molecular co-crystals of carboxylic acids. 16. 1:1 Adduct of 3-nitrobenzoic acid with 3-amino-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","1994","50","8","1291","1294","10.1107/S0108270193012260","","","0.71073","MoKα","","","0.036","","","0.04","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009996","12.171","0.002","11.36","0.002","16.118","0.004","90","","91.343","0.007","90","","2227.9","0.8","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C22 H22 Cl2 O6 -","- C22 H22 Cl2 O6 -","- C88 H88 Cl8 O24 -","4","1","SH1081","Berens, U.; Raabe, G.","2(<i>RS</i>)-<i>r</i>-2-[(<i>RS</i>)-1-(4-Chlorobenzoyloxy)ethyl]-2-ethyl-1,3-dioxolan-<i>c</i>-4-ylmethyl-4-chlorobenzoate","Acta Crystallographica Section C","1994","50","8","1271","1273","10.1107/S0108270193014131","","","0.71069","MoKα","","","0.05","","","0.04","","","","","2.627","2.627","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010043","10.011","0.005","13.163","0.005","28.896","0.008","90","","98.12","0.03","90","","3770","3","298","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C192 H136 N8 O16 -","8","2","KA1051","Anulewicz, R.; Pniewska, B.; Milart, P.","2,4,6-Triphenylcyanobenzene and 2,4,6-triphenylnitrobenzene","Acta Crystallographica Section C","1994","50","9","1516","1519","10.1107/S0108270193012661","","","0.71073","MoKα","","","0.0724","","","0.0566","","","","","2.53","2.53","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010056","15.556","0.003","7.682","0.002","12.384","0.002","90","","96.8","0.02","90","","1469.5","0.5","293","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C6 H24 Cl2 N4 O3 Zn -","- C6 H24 Cl2 N4 O3 Zn -","- C24 H96 Cl8 N16 O12 Zn4 -","4","1","NA1043","Marzotto, A.; Clemente, D.A.; Valle, G.","Racemic chloro[tris(2-aminoethyl)amine]zinc(II) chloride trihydrate, [ZnCl(C~6~H~18~N~4~)]Cl.3H~2~O","Acta Crystallographica Section C","1994","50","9","1451","1456","10.1107/S0108270193012739","","","0.71069","MoKα","","","0.04","","","0.044","","","","","0.697","0.697","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010068","11.128","0.005","7.926","0.003","14.735","0.008","90","","108.1","0.05","90","","1235.3","1","295","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C4 H13 Cl4 Cu N5 -","- C4 H13 Cl4 Cu N5 -","- C16 H52 Cl16 Cu4 N20 -","4","1","PA1093","Lemoine, P.; Tomas, A.; Viossat, B.; Nguyen-Huy, D.","Tétrachlorocuprate(II) de metformine","Acta Crystallographica Section C","1994","50","9","1437","1439","10.1107/S0108270194002982","","","0.7107","MoKα","","","0.049","","","0.046","","","","","1.78","1.78","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010076","7.89","0.02","16.824","0.008","9.5187","0.0014","90","0.007","110.168","0.013","90","0.009","1186","3","293","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N, N1-bis(methoxycarbonyl)-N2-phenylguanidine","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C44 H52 N12 O16 -","4","1","AB1163","Travlos, Spyros Don; White, Julian","1,2-Bis(methoxycarbonyl)-3-phenylguanidine","Acta Crystallographica Section C","1994","50","10","1631","1632","10.1107/S0108270194005007","","","0.71069","MoKα","","0.046","0.0453","","0.126","0.1248","","","","0.745","0.742","0.742","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010098","10.733","0.001","10.089","0.001","11.479","0.002","90","","91.09","0.01","90","","1242.8","0.3","293","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C7 H9 Cl2 Hg2 N O2 -","- C7 H9 Cl2 Hg2 N O2 -","- C28 H36 Cl8 Hg8 N4 O8 -","4","1","DU1077","Bonhomme, C.; Toledano, P.; Livage, J.","A new dimercurated derivative of acetylacetone, [Hg~2~(C~5~H~6~O~2~)Cl~2~].CH~3~CN","Acta Crystallographica Section C","1994","50","10","1590","1592","10.1107/S010827019400332X","","","0.71069","MoKᾱ","","","0.0279","","","0.0331","","","","","2.36","2.36","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010116","13.113","0.001","5.351","0.002","18.757","0.002","90","","109.54","0.01","90","","1240.3","0.5","298","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H26 Co N4 O16 -","- C18 H26 Co N4 O16 -","- C36 H52 Co2 N8 O32 -","2","0.5","MU1099","Saladini, Monica","<i>trans</i>-Tetraaquabis(<i>p</i>-nitrohippurato)cobalt(II) dihydrate","Acta Crystallographica Section C","1994","50","10","1561","1563","10.1107/S0108270194001769","","","0.71069","MoKα","","","0.04","","","0.041","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2010163","10.492","0.004","13.048","0.003","15.595","0.002","90","","99.54","0.03","90","","2105.4","1","289","","289","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-[2-(2'-hydroxy-1'-oxo-1',2',3',4'-tetrahydronaphthyl)ethyl]-1,2,3,4- tetrahydronaphthylone thiosemicarbazone","","- C23 H25 N3 O2 S -","- C23 H25 N3 O2 S -","- C92 H100 N12 O8 S4 -","4","1","CR1128","Yang, Jian; Pandeya, S.N.; Dimmock, Jonathan R.; Quail, J. Wilson","A novel bistetrahydronaphthyl thiosemicarbazone","Acta Crystallographica Section C","1994","50","11","1828","1830","10.1107/S0108270194006098","","","0.7093","MolybdenumKα","","0.074","0.049","","0.05","0.05","","","","","2.47","2.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010227","19.35","0.01","5.885","0.003","20.368","0.01","90","","111.9","0.04","90","","2152","2","100","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C20 H21 F9 N2 O2 -","- C20 H21 F9 N2 O2 -","- C80 H84 F36 N8 O8 -","4","1","SH1082","Büchel, R.; Aebi, R.; Keese, R.; Venugopalan, P.","<i>rel</i>-(2<i>R</i>,5<i>R</i>)-1-Benzoyl-2-<i>tert</i>-butyl-3-methyl-5-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)imidazolidin-4-one at 100 K","Acta Crystallographica Section C","1994","50","11","1803","1805","10.1107/S0108270194000132","","","0.71069","MoKα","","","0.052","","","0.065","","","","","1.826","1.826","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010262","7.2796","0.0007","15.755","0.002","9.834","0.001","90","","91.087","0.009","90","","1127.7","0.2","298","","23","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 F3 N O2 -","- C12 H10 F3 N O2 -","- C48 H40 F12 N4 O8 -","4","1","CD1035","Jasinski, Jerry P.; Paight, Ernest S.","7-Dimethylamino-4-trifluoromethylcoumarin, a new polymeric form","Acta Crystallographica Section C","1994","50","12","1928","1930","10.1107/S0108270194003616","","","0.7107","MoKα","","","0.0445","","","0.0654","","","","","2.888","2.888","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010424","9.685","0.003","7.128","0.002","13.572","0.004","90","","99.78","0.02","90","","923.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C7 H9 F3 N2 O2 -","- C7 H9 F3 N2 O2 -","- C28 H36 F12 N8 O8 -","4","1","","Tinant, Bernard; Declercq, Jean-Paul; Bouillon, Jean-Philippe","Oxime of 1-Methyl-3-trifluoroacetylpyrrolidin-2-one","Acta Crystallographica Section C","1995","51","","270","272","","","","","","","","0.073","","","0.23","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010475","8.693","0.003","26.794","0.007","12.534","0.005","90","","93.08","0.03","90","","2915.2","1.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H14 N6 O -","- C17 H14 N6 O -","- C136 H112 N48 O8 -","8","2","LI1112","Palmer, R. A.; Janes, R. W.; Corper, A. L.; Lisgarten, J. N.; Hansen, H. C.","The Novel GABA~A~ Receptor Ligand NNC 14-0764: 5-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydrodiimidazo[1,5-<i>a</i>:1',2'-<i>c</i>]quinazoline","Acta Crystallographica Section C","1995","51","2","318","322","10.1107/S0108270194004166","","","1.54178","CuKα","","0.0417","0.0365","","0.1053","0.1014","","","","3.951","1","1","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010486","12.162","0.001","10.647","0.001","7.985","0.001","90","","92.441","0.005","90","","1033.03","0.18","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C H13 B10 Cs -","- C H13 B10 Cs -","- C4 H52 B40 Cs4 -","4","1","NA1091","Whitaker, Claire R.; Romerosa, Antonio; Teixidor, Francesc; Rius, Jordi","Cs[CB~10~H~13~] at 293 K","Acta Crystallographica Section C","1995","51","2","188","190","10.1107/S0108270194008139","","","0.71073","MoKα","","","0.042","","","0.051","","","","","2.47","2.47","","","","","has coordinates","191060","2020-10-21","18:00:00",""
"2010549","10.04","0.002","18.468","0.001","11.649","0.001","90","","109.16","0.01","90","","2040.3","0.4","299","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C36 H58 Cu2 N2 O8 -","- C36 H58 Cu2 N2 O8 -","- C72 H116 Cu4 N4 O16 -","2","0.5","","Goto, Masato; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","Dimeric copper(II) 3,3-dimethylbutyrate adducts with ethanol, 2-methylpyridine, 3-methylpyridine, 4-methylpyridine and 3,3-dimethylbutyric acid","Acta Crystallographica, Section C: Crystal Structure Communications","2000","56","1","7","11","10.1107/s0108270199012172","","","","","","","","","","","","","","","","","","","","","has coordinates","210928","2020-10-21","18:00:00",""
"2010557","10.288","0.006","24.692","0.005","13.116","0.005","90","","97.71","0.04","90","","3302","2","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","catena-poly[tetrakis(μ-trimethylsilylacetato-O:O')dicopper(II)]","","- C20 H44 Cu2 O8 Si4 -","- C20 H44 Cu2 O8 Si4 -","- C80 H176 Cu8 O32 Si16 -","4","1","OA1095","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","Dimeric copper(II) trimethylsilylacetate adducts with pyridine, 2-methylpyridine, 3-methylpyridine and quinoline, and a polymeric copper(II) trimethylsilylacetate","Acta Crystallographica Section C","2000","56","1","12","16","10.1107/S0108270199012147","","","0.71073","MoKα","","","0.068","","","","0.0999","","","","","","1.484","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010693","13.765","0.002","10.052","0.002","14.06","0.002","90","","116.554","0.008","90","","1740.2","0.5","296","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H14 N2 O11 Zn -","- C14 H14 N2 O11 Zn -","- C56 H56 N8 O44 Zn4 -","4","1","BM1356","Okabe, Nobuo; Oya, Naomi","Copper(II) and zinc(II) complexes of pyridine-2,6-dicarboxylic acid","Acta Crystallographica Section C","2000","56","3","305","307","10.1107/S0108270199015565","","","0.71069","MoKα","","","0.058","","","","0.114","","","","","","1.36","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010748","11.2341","0.0017","6.8536","0.0011","13.0566","0.0012","90","","97.307","0.009","90","","997.1","0.2","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","7,7-Dichloro-1,6-dimethyl-2-oxa-5-thiabicyclo[4.1.0]heptane 5,5-dioxide","","- C7 H10 Cl2 O3 S -","- C7 H10 Cl2 O3 S -","- C28 H40 Cl8 O12 S4 -","4","1","QA0222","Brewer, A. David; Ferguson, George; Znotins, Andrew A.","7,7-Dichloro-1,6-dimethyl-2-oxa-5-thiabicyclo[4.1.0]heptane 5,5-dioxide and 6-chloro-2,3-dihydro-7-methyl-5-methylene-2<i>H</i>,3<i>H</i>,5<i>H</i>-1,4-dithiepine 1,1,4,4-tetraoxide","Acta Crystallographica Section C","2000","56","3","e109","e110","10.1107/S0108270100002286","","","0.71073","MoKα","","0.042","0.029","","","","0.075","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010838","14.0685","0.0009","11.9199","0.0009","15.7428","0.0007","90","","99.541","0.004","90","","2603.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bis[(μ-κO:O'-acetato)(μ-κO:μ-κ^2^O'-acetato){(cyclopentadienyl)tris (dimethylphosphito-P)cobalt-O,O',O""}neodymium(III)]","","- C30 H58 Co2 Nd2 O26 P6 -","- C30 H58 Co2 Nd2 O26 P6 -","- C60 H116 Co4 Nd4 O52 P12 -","2","0.5","QA0226","Roh, Soo-Gyun; Jeong, Jong Hwa","Di-μ-acetato-<i>O</i>:<i>O</i>'-di-μ-acetato-<i>O</i>,<i>O</i>':<i>O</i>'-bis{[(cyclopentadienyl)tris(dimethylphosphito-<i>P</i>)cobalt-<i>O</i>,<i>O</i>',<i>O</i>'']neodymium(III)}","Acta Crystallographica Section C","2000","56","4","e120","e121","10.1107/S0108270100003243","","","0.71073","MoKα","","0.051","0.044","","","","0.123","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010841","8.504","0.002","29.533","0.004","8.568","0.002","90","","108.05","0.02","90","","2045.9","0.8","298","1","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H19 N3 O6 -","- C22 H19 N3 O6 -","- C88 H76 N12 O24 -","4","1","QA0229","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of <i>N</i>-methyl-, <i>N</i>-isopropyl-, <i>N</i>-butyl- and <i>N</i>-isobutylcarbazole with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2000","56","4","e144","e146","10.1107/S010827010000384X","","","0.71073","MoKα","","","0.041","","","","0.122","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010845","16.227","0.002","6.982","0.002","17.435","0.002","90","","107.3","0.01","90","","1886","0.6","293","1","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C21 H16 N4 O4 -","- C21 H16 N4 O4 -","- C84 H64 N16 O16 -","4","1","QA0230","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of <i>N</i>-methyl-and <i>N</i>-ethylcarbazole with 3,5-dinitrobenzonitrile","Acta Crystallographica Section C","2000","56","4","e147","e148","10.1107/S0108270100003851","","","0.71073","MoKα","","","0.064","","","","0.16","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010955","7.453","0.005","14.911","0.005","11.458","0.005","90","","107.75","0.04","90","","1212.7","1.1","298","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 Cu2 N4 O8 -","- C22 H24 Cu2 N4 O8 -","- C44 H48 Cu4 N8 O16 -","2","0.5","QA0273","Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru","Tetra-μ-acetato-<i>O</i>:<i>O</i>'-bis[(7-azaindole-<i>N</i>)copper(II)]","Acta Crystallographica Section C","2000","56","5","e193","e193","10.1107/S0108270100005540","","","0.71073","MoKα","","","0.041","","","","0.148","","","","","","0.93","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011011","15.387","0.005","22.349","0.005","14.579","0.005","90","","95.337","0.005","90","","4992","3","296","2","296","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C20 H24 Cl2 Hg N2 O4 S2 -","- C20 H24 Cl2 Hg N2 O4 S2 -","- C160 H192 Cl16 Hg8 N16 O32 S16 -","8","2","JA1020","Kubo, Kanji; Kato, Nobuo; Mori, Akira; Takeshita, Hitoshi","20-Dicyanomethylene-5,8,11,14-tetraoxa-2,17-dithiabicyclo[16.4.1]tricosa-1(23),18,21-triene and its mercury(II) dichloride complex","Acta Crystallographica Section C","2000","56","6","644","646","10.1107/S010827010000305X","","","1.54184","CuKα","","0.1434","0.052","","","","0.137","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011129","7.8295","0.0006","19.3334","0.0018","8.1244","0.001","90","","116.019","0.008","90","","1105.2","0.2","293","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H22 N4 Ni O4 -","- C22 H22 N4 Ni O4 -","- C44 H44 N8 Ni2 O8 -","2","0.5","GS1082","Zukerman-Schpector, J.; Trindade, Antonio Carlos; Dunstan, P. O.","Adducts of nickel(II) acetylacetonate chelating with heterocyclic bases: 3-cyanopyridine and 4-cyanopyridine","Acta Crystallographica Section C","2000","56","7","763","765","10.1107/S0108270100004662","","","0.71073","MoKα","","0.201","0.045","","","","0.115","","","","","","0.953","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011153","21.004","0.005","13.061","0.003","14.441","0.004","90","","98.266","0.011","90","","3920.5","1.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4,5-Bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazole","","- C23 H19 N3 O4 -","- C23 H19 N3 O4 -","- C184 H152 N24 O32 -","8","2","OA1099","Inouye, Yoshinobu; Sakaino, Yoshiko","Red, orange and yellow crystals of 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","2000","56","7","884","887","10.1107/S0108270100005205","","","0.71073","MoKα","","0.346","0.0864","","0.3798","","0.2213","","","0.92","","","1.067","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011240","16.5579","0.0019","10.9208","0.0013","16.5426","0.0019","90","","114.748","0.008","90","","2716.6","0.6","293","2","303","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","1,3-bis(diphenylphosphino)propanetrichlorooxorhenium(V)","","- C27 H26 Cl3 O P2 Re -","- C27 H26 Cl3 O P2 Re -","- C108 H104 Cl12 O4 P8 Re4 -","4","1","OS1104","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Pardo, Helena; Russi, Silvia; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo","[1,3-Bis(diphenylphosphino)propane]trichlorooxorhenium(V)","Acta Crystallographica Section C","2000","56","8","930","931","10.1107/S0108270100006983","","","0.71069","MoKα","","0.0396","0.0261","","","","0.0717","","","","","","1.049","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011321","5.934","0.003","33.653","0.006","6.177","0.001","90","","107.12","0.03","90","","1178.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","3-bromo-2-cyano-3-(4-methylphenyl)-2-hydroxypropanamide","","- C11 H11 Br N2 O2 -","- C11 H11 Br N2 O2 -","- C44 H44 Br4 N8 O8 -","4","1","GD1105","Lah, Nina; Leban, Ivan; Majcen-Le Maréchal, Alenka; Le Grel, Philippe; Robert, Albert; Sieler, Joachim; Giester, Gerald","From α-carbamoyl-α-cyanooxiranes to 3-halogenopyruvamides","Acta Crystallographica Section C","2000","56","9","1164","1167","10.1107/S0108270100008623","","","0.71073","MoKα","","0.0831","0.0401","","","","0.1081","","","","","","0.971","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011381","6.216","0.002","14.219","0.006","9.342","0.003","90","","90.91","0.03","90","","825.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Anilinium hydrogenphosphite","","- C6 H10 N O3 P -","- C6 H10 N O3 P -","- C24 H40 N4 O12 P4 -","4","1","SK1377","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Martin-Gil, J.","Two anilinium salts: anilinium hydrogenphosphite and anilinium hydrogenoxalate hemihydrate","Acta Crystallographica Section C","2000","56","9","1132","1135","10.1107/S0108270100008015","","","0.71073","MoKα","","0.0496","0.0283","","","","0.0839","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011482","7.692","0.003","16.825","0.003","13.7247","0.0018","90","","99.428","0.018","90","","1752.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,4-o-tolyl-3-azabicyclo[3.3.1]nonan-9-one","","- C22 H25 N O -","- C22 H25 N O -","- C88 H100 N4 O4 -","4","1","VJ1106","Vijayalakshmi, L.; Parthasarathi, V.; Venkatraj, M.; Jeyaraman, R.","2,4-Bis(<i>o</i>-tolyl)-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section C","2000","56","10","1240","1241","10.1107/S0108270100009318","","","1.5418","CuKα","","0.086","0.064","","","","0.206","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011487","11.3936","0.0003","8.2659","0.0002","16.984","0.0005","90","","90.675","0.0017","90","","1599.41","0.07","148","0.1","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","BK1550","Lloyd, Barry A.; Arif, Atta M.; Allred, Evan L.","A norbornenyl derivative with through-space ketone π-interaction","Acta Crystallographica Section C","2000","56","11","1377","1379","10.1107/S0108270100011185","","","0.71073","MoKα","","","0.041","","","","0.0898","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011527","12.455","0.005","12.401","0.005","11.14","0.005","90","","107.259","0.005","90","","1643.1","1.2","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C23 H20 O -","- C23 H20 O -","- C92 H80 O4 -","4","1","OB1037","Isobe, Shin-ichiro; Kubo, Kanji; Thiemann, Thies; Sawada, Tsuyoshi; Yonemitsu, Tadashi; Mataka, Shuntaro","Benzo[<i>i</i>]naphtho[<i>c</i>,<i>d</i>]bicyclo[5.4.1]dodecan-12-one","Acta Crystallographica Section C","2000","56","11","1367","1368","10.1107/S010827010001091X","","","0.71073","MoKα","","0.1569","0.0505","","","","0.1405","","","","","","0.991","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011538","11.542","0.004","11.246","0.005","15.641","0.005","90","","105.43","0.03","90","","1957","1.3","294","2","294","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H28 N2 Se2 -","- C18 H28 N2 Se2 -","- C72 H112 N8 Se8 -","4","1","QA0396","Feldmann, Arnold A.; Schmengler, Kai; Laue, Klaus; Marose, Stefan; Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M.","Hydrogen bonding in <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediammonium bis(benzeneselenolate)","Acta Crystallographica Section C","2000","56","11","e531","e531","10.1107/S0108270100013986","","","0.71073","MoKα","","0.067","0.035","","","","0.085","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011735","12.7108","0.0008","7.4801","0.0006","14.2397","0.0009","90","","110.542","0.005","90","","1267.8","0.16","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Ferrocenylthiophene carboxylic acid","2-(Ferrocenyl)thiophene-3-carboxylic acid","","- C15 H12 Fe O2 S -","- C15 H12 Fe O2 S -","- C60 H48 Fe4 O8 S4 -","4","1","SK1424","Gallagher, John F.; Hudson, Richard D. A.; Manning, A. R.","Intermolecular O—H···O and C—H···π(C~5~H~5~), and intramolecular C—H···O interactions in 2-(ferrocenyl)thiophene-3-carboxylic acid","Acta Crystallographica Section C","2001","57","1","28","30","10.1107/S0108270100014360","","","0.71073","MoKα","","0.045","0.033","","","","0.082","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011752","8.9889","0.001","4.977","0.002","16.79","0.004","90","","90.9","0.01","90","","751.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Bis(Methylglycyl)terephthalamide","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C28 H32 N4 O12 -","2","0.5","DE1152","Armelin, Elaine; Escudero, Encarnacion; Campos, Lourdes; Puiggali, Jordi","<i>N</i>,<i>N</i>'-Bis(methoxycarbonylmethyl)terephthalamide","Acta Crystallographica Section C","2001","57","2","172","173","10.1107/S0108270100014864","","","1.54178","CuKα","","0.075","0.069","","","","0.175","","","","","","1.491","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011891","11.749","0.001","12.296","0.001","14.591","0.001","90","","107.544","0.003","90","","2009.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Diethylammonium [2-(2,6-dichlorophenylamino)phenyl]acetate hydrate","","- C18 H24 Cl2 N2 O3 -","- C18 H24 Cl2 N2 O3 -","- C72 H96 Cl8 N8 O12 -","4","1","NA1485","Castellari, Carlo; Comelli, Fabio; Ottani, Stefano","Anti-inflammatory drugs. IX. Hydrated diethylammonium [2-(2,6-dichlorophenylamino)phenyl]acetate (HDEA·D·H~2~O)","Acta Crystallographica Section C","2001","57","4","437","438","10.1107/S010827010002076X","","","0.71073","MoKα","","0.097","0.048","","0.146","","0.121","","","0.9","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011940","17.624","0.005","27.665","0.005","10.428","0.003","90","","94.52","0.02","90","","5069","2","296.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C27 H21 Cl3 N2 P Re -","- C27 H21 Cl3 N2 P Re -","- C216 H168 Cl24 N16 P8 Re8 -","8","2","BK1586","Miyashita, Yoshitaro; Mahboob, Nagina; Tsuboi, Satoko; Yamada, Yasunori; Fujisawa, Kiyoshi; Okamoto, Ken-ichi","<i>fac</i>-Trichloro(quinolin-8-ylimido-<i>N</i>,<i>N</i>')(triphenylphosphine-<i>P</i>)rhenium(V)","Acta Crystallographica Section C","2001","57","5","558","559","10.1107/S0108270101003535","","","0.7107","MoKα","","","0.0483","","","","0.1265","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012018","12.487","0.002","7.5477","0.0013","17.513","0.003","90","","105.22","0.02","90","","1592.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4,7-bis[(4-pyridyl)ethynyl]-2,1,3-benzothiadiazole","","- C20 H10 N4 S -","- C20 H10 N4 S -","- C80 H40 N16 S4 -","4","1","DE1167","Akhtaruzzaman, Md.; Tomura, Masaaki; Yamashita, Yoshiro","4,7-Bis(4-pyridylethynyl)-2,1,3-benzothiadiazole and its dipyridinium diperchlorate","Acta Crystallographica Section C","2001","57","6","751","753","10.1107/S0108270101004802","","","1.54178","CuKα","","0.1282","0.0682","","","","0.2092","","","","","","1.065","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012278","18.044","0.003","7.486","0.003","19.052","0.005","90","","111.764","0.015","90","","2390.1","1.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Amiloride hydrochloride hemimethanol solvate","N-(3,5-diamino-6-chloropyrazin-2-ylcarbonyl)-N-(diaminomethylene)ammonium chloride methanol hemisolvate","","- C6.5 H11 Cl2 N7 O1.5 -","- C6.5 H11 Cl2 N7 O1.5 -","- C52 H88 Cl16 N56 O12 -","8","2","OS1141","Pretscher, Andrea; Brisander, Magnus; Bauer-Brandl, Annette; Hansen, Lars Kr.","The methanol hemisolvate of amiloride hydrochloride","Acta Crystallographica Section C","2001","57","10","1217","1219","10.1107/S0108270101012550","","","0.71069","MoKα","","0.044","0.032","","","","0.093","","","","","","1.106","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012397","11.7089","0.001","13.7888","0.0012","13.2441","0.0011","90","","96.758","0.007","90","","2123.4","0.3","294","2","294","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-(3,4-dimethoxyphenyl)-1-ferrocenylmethyl-1H-benzimidazole","","- C26 H24 Fe N2 O2 -","- C26 H24 Fe N2 O2 -","- C104 H96 Fe4 N8 O8 -","4","1","SK1507","Gallagher, John F.; Hanlon, Keith; Howarth, Joshua","Intermolecular interactions in two (ferrocenylmethyl)benzimidazoles incorporating the 4-MeOC~6~H~4~ and 3,4-(MeO)~2~C~6~H~3~ groups: analysis of MeO—C—C distortions from ideal 120{^i̧rc} geometry","Acta Crystallographica Section C","2001","57","12","1410","1414","10.1107/S0108270101015591","","","0.71073","MoKα","","0.064","0.039","","","0.086","0.096","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012401","8.671","0.0005","16.4284","0.0008","7.8287","0.0007","90","","92.542","0.006","90","","1114.11","0.13","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","TA1338","Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Yoshimura, Kimihiro; Yagi, Mikio; Higuchi, Jiro","4-Nitro-9,10-dihydrophenanthrene and a polymorphic form of 4-nitrophenanthrene","Acta Crystallographica Section C","2001","57","12","1462","1464","10.1107/S0108270101017474","","","1.54178","CuKα","","0.0465","0.0355","","0.1004","0.0928","","","","1.093","1.114","1.114","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012648","14.877","0.004","14.775","0.003","15.581","0.004","90","","115.8","0.02","90","","3083.4","1.4","296.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","cyclo-tetrakis(μ-1,4,7-trithiacyclononane- κ^3^S^1^,S^4^,S^7^:κS^1^)tetrasilver(I) tetrakis(trifluoromethanesulfonate) nitromethane disolvate","","- C30 H54 Ag4 F12 N2 O16 S16 -","- C30 H54 Ag4 F12 N2 O16 S16 -","- C60 H108 Ag8 F24 N4 O32 S32 -","2","0.5","OA1126","Yamaguchi, Tadashi; Yamazaki, Fumie; Ito, Tasuku","A cyclic tetramer of [Ag(1,4,7-trithiacyclononane)]^+^, <i>cyclo</i>-tetrakis(μ-1,4,7-trithiacyclononane-κ^3^<i>S</i>^1^,<i>S</i>^4^,<i>S</i>^7^:κ<i>S</i>^1^)tetrasilver(I) tetrakis(trifluoromethanesulfonate) nitromethane disolvate","Acta Crystallographica Section C","2002","58","4","m213","m214","10.1107/S0108270102001075","","","0.7107","MoKα","","","0.047","","","","0.133","","","","","","1.18","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012823","10.9886","0.0004","12.3322","0.0004","11.9612","0.0005","90","","112.829","0.0002","90","","1493.93","0.1","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N,N'-diphenyl-1,4-phenylenediammonium bis(4-toluenesulfonate)","","- C32 H32 N2 O6 S2 -","- C32 H32 N2 O6 S2 -","- C64 H64 N4 O12 S4 -","2","0.5","NA1567","Gawlicka-Chruszcz, Anna; Stadnicka, Katarzyna; N,N'-diphenyl-1,4-phenylenediammonium bis(4-toluenesulfonate)","A comparative study of intermolecular interactions in the crystal structures of phenyl/phenyl end-capped oligoanilines","Acta Crystallographica Section C","2002","58","7","o416","o420","10.1107/S0108270102009472","","","0.71073","MoKα","","0.081","0.066","","","0.176","0.196","","","","","","0.965","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012843","11.0515","0.0017","18.2104","0.0012","4.3441","0.0011","90","","90.47","0.02","90","","874.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","4,7-diiodo-2,1,3-benzothiadiazole","","- C6 H2 I2 N2 S -","- C6 H2 I2 N2 S -","- C24 H8 I8 N8 S4 -","4","1","TA1368","Tomura, Masaaki; Akhtaruzzaman, Md.; Suzuki, Kazuharu; Yamashita, Yoshiro","4,7-Diiodo-2,1,3-benzothiadiazole and 7,7'-diiodo-4,4'-bi(2,1,3-benzothiadiazole)","Acta Crystallographica Section C","2002","58","7","o373","o375","10.1107/S0108270102008296","","","0.71069","MoKα","","0.026","0.019","","","0.05","0.055","","","","","","0.963","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012997","7.163","0.002","18.604","0.002","7.357","0.002","90","","113.38","0.02","90","","899.9","0.4","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H9 Cl Cu O5 -","- C6 H9 Cl Cu O5 -","- C24 H36 Cl4 Cu4 O20 -","4","1","OB1078","Odoko, Mamiko; Yamamoto, Kyouta; Okabe, Nobuo","<i>catena</i>-Poly[[[aqua(2-methyl-4-oxo-4<i>H</i>-pyran-3-olato-κ<i>O</i>^3^,<i>O</i>^4^)copper(II)]-μ-chloro] monohydrate]","Acta Crystallographica Section C","2002","58","10","m506","m508","10.1107/S0108270102015226","","","0.7107","MoKα","","","0.0205","","","","0.0578","","","","","","1.074","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013160","9.3406","0.0009","10.1663","0.0006","17.9072","0.001","90","","90.136","0.006","90","","1700.5","0.2","294","1","294","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Isopropyl 4-ferrocenylbenzoate","","- C20 H20 Fe O2 -","- C20 H20 Fe O2 -","- C80 H80 Fe4 O8 -","4","1","GD1238","Anderson, Frankie P.; Gallagher, John F.; Kenny, Peter T. M.; Ryan, Clodagh; Savage, David","Ethyl and isopropyl 4-ferrocenylbenzoate","Acta Crystallographica Section C","2003","59","1","m13","m15","10.1107/S0108270102021819","","","0.71073","MoKα","","0.067","0.043","","","0.097","0.109","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013185","9.713","0.006","19.265","0.008","10.45","0.002","90","","105.74","0.03","90","","1882.1","1.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-Nitroso-1,3-diphenyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","1","NA1587","Sivakumar, B.; Sethu Sankar, K.; Senthil Kumar, U. P.; Jeyaraman, R.; Velmurugan, D.","2-Nitroso-1,3-diphenyl-1,2,3,4-tetrahydrobenzo[<i>b</i>][1,6]naphthyridine","Acta Crystallographica Section C","2003","59","3","o153","o155","10.1107/S0108270102022758","","","1.5418","CuKα","","0.069","0.057","","","0.16","0.172","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013192","16.663","0.002","10.6209","0.0005","17.652","0.002","90","","113.725","0.004","90","","2860","0.5","173.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H44 Cl2 N2 Pt -","- C28 H44 Cl2 N2 Pt -","- C112 H176 Cl8 N8 Pt4 -","4","1","OB1092","Kato, Masako; Ikemori, Mana","Dichloro(4,4'-dinonyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","2003","59","1","m25","m26","10.1107/S010827010202156X","","","0.7107","MoKα","","","0.04","","","","0.084","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013347","15.163","0.004","13.639","0.003","3.95","0.001","90","","92.39","0.02","90","","816.2","0.3","278.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H12 Cl4 -","- C18 H12 Cl4 -","- C36 H24 Cl8 -","2","0.5","OB1110","Yoriko Sonoda; Yuji Kawanishi; Midori Goto","(<i>E</i>,<i>E</i>,<i>E</i>)-1,6-Bis(2,4-dichlorophenyl)hexa-1,3,5-triene","Acta Crystallographica Section C","2003","59","6","o311","o313","10.1107/S0108270103008370","","","0.7107","MoKα","","","0.0406","","","","0.1094","","","","","","1.502","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013415","10.824","0.005","24.12","0.01","13.18","0.003","90","","95.42","0.03","90","","3426","2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bis[1-(p-chlorophenyl)-5-isopropylbiguanide] nickel(II) dichloride dimethylformamide solvate.","","- C25 H39 Cl4 N11 Ni O -","- C25 H39 Cl4 N11 Ni O -","- C100 H156 Cl16 N44 Ni4 O4 -","4","1","DN1020","F. Bentefrit; P. Lemoine; D. Nguyen-Huy; G. Morgant; B. Viossat","Bis[1-(<i>p</i>-chlorophenyl)-5-isopropylbiguanide-κ^2^<i>N</i>^2^,<i>N</i>^4^]nickel(II) dichloride dimethylformamide solvate","Acta Crystallographica Section C","2003","59","8","m331","m333","10.1107/S0108270103013519","","","0.71069","MoKα","","0.1238","0.0399","","","0.0896","0.1098","","","","","","0.961","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013500","19.23","0.002","8.0506","0.001","8.4461","0.0011","90","","98.802","0.01","90","","1292.2","0.3","298","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C34 H28 O2 -","- C34 H28 O2 -","- C68 H56 O4 -","2","0.5","SK1639","Ohba, Shigeru; Yamamoto, Yohei; Tanaka, Koichi","<i>rac</i>- and <i>meso</i>-3,3'-Bis(3,5-dimethylphenyl)-3<i>H</i>,3'<i>H</i>-2,2'-biindenylidene-1,1'(2<i>H</i>,2'<i>H</i>)-dione","Acta Crystallographica Section C","2003","59","7","o370","o372","10.1107/S0108270103010308","","","0.7107","MoKα","","","0.0543","","","","0.1945","","","","","","1.21","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013607","9.5904","0.0003","13.4903","0.0005","15.8568","0.0005","90","","106.603","0.002","90","","1965.98","0.12","294","1","150","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(ferrocenylmethyl)anthracene-9-carboxamide","","- C26 H21 Fe N O -","- C26 H21 Fe N O -","- C104 H84 Fe4 N4 O4 -","4","1","GD1288","Gallagher, John F.; Kelly, Paula N.; Kenny, Peter T. M.; Lough, Alan J.","Intermolecular interactions in <i>N</i>-(ferrocenylmethyl)anthracene-9-carboxamide","Acta Crystallographica Section C","2003","59","12","m552","m554","10.1107/S010827010302585X","","","0.71073","MoKα","","0.0674","0.0395","","","0.0854","0.0974","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014288","16.03","0.004","11.726","0.003","7.7024","0.0015","90","","100.298","0.017","90","","1424.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","8-hydroxyquinolinium orthanilate","8-hydroxyquinolinium 2-aminobenzenesulfonate","","- C15 H14 N2 O4 S -","- C15 H14 N2 O4 S -","- C60 H56 N8 O16 S4 -","4","1","TA1460","Graham Smith; Urs D. Wermuth; Peter C. Healy","Hydrogen bonding in proton-transfer compounds of 8-quinolinol (oxine) with aromatic sulfonic acids","Acta Crystallographica Section C","2004","60","8","o600","o603","10.1107/S0108270104015057","","","0.71069","MoKα","","0.0967","0.0456","","","0.1171","0.1631","","","","","","0.895","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014289","15.857","0.004","17.667","0.007","6.977","0.004","90","","95.78","0.04","90","","1944.6","1.4","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","8-hydroxyquinolinium 8-hydroxy-7-iodoquinoline-5-sulfonate sesquihydrate","","","- C18 H16 I N2 O6.5 S -","- C18 H16 I N2 O6.5 S -","- C72 H64 I4 N8 O26 S4 -","4","1","TA1460","Graham Smith; Urs D. Wermuth; Peter C. Healy","Hydrogen bonding in proton-transfer compounds of 8-quinolinol (oxine) with aromatic sulfonic acids","Acta Crystallographica Section C","2004","60","8","o600","o603","10.1107/S0108270104015057","","","0.71069","MoKα","","0.0686","0.0486","","","0.1373","0.1576","","","","","","0.894","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014360","12.517","0.001","10.206","0.001","14.704","0.002","90","","111.747","0.007","90","","1744.7","0.3","223.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1',5'-dimethylspiro[10,11-dihydro-5H-dibenzo[a,d]cycloheptene-5,8'- 4'-oxatricyclo[5.1.0.0^3,5^]octane]-2',6'-dione","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","HJ1087","Asahara, Haruyasu; Koizumi, Takuya; Mochizuki, Eiko; Oshima, Takumi","Two conformers of 10,11-dihydro-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cycloheptene spiro-linked with homobenzoquinone epoxide","Acta Crystallographica Section C","2006","62","3","o136","o138","10.1107/S0108270106002800","","","0.7107","MoKα","","","0.0863","","","","0.1884","","","","","","1.962","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014651","9.202","0.009","17.136","0.016","11.087","0.009","90","","92.53","0.03","90","","1747","3","296.1","","296.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(Di-2-pyridylamine-κ^2^N,N')(naphthalene-2,3-diolato-κ^2^O,O')palladium(II) monohydrate","","- C20 H17 N3 O3 Pd -","- C20 H17 N3 O3 Pd -","- C80 H68 N12 O12 Pd4 -","4","1","FG1798","Yue Wang; Yu Mizubayashi; Mamiko Odoko; Nobuo Okabe","(Di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(naphthalene-2,3-diolato-κ^2^<i>O</i>,<i>O</i>')palladium(II) monohydrate and (di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(3-oxidonaphthalene-2-carboxylato-κ^2^<i>O</i>,<i>O</i>')palladium(II)","Acta Crystallographica Section C","2005","61","2","m67","m70","10.1107/S010827010403197X","","","0.71075","MoKα","","0.0225","0.0194","","","0.0528","0.0537","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014792","9.0806","0.0017","12.1903","0.0017","6.3424","0.0012","90","","106.379","0.016","90","","673.6","0.2","20","2","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","ammonium copper Tutton salt","perdeuterated diammonium hexaaquacopper(II) bis(sulfate)","","- Cu0.966 D17.16 H2.84 N2 O14 S2 Zn0.034 -","- Cu0.966 D17.16 H2.84 N2 O14 S2 Zn0.034 -","- Cu1.932 D34.32 H5.68 N4 O28 S4 Zn0.068 -","2","0.5","FA1122","Schultz, Arthur J.; Cowan, John A.; Hitchman, Michael A.; Stratemeier, Horst","Single-crystal neutron-diffraction study of 3.4% Zn-doped (ND~4~)~2~[Cu(D~2~O)~6~](SO~4~)~2~ at 20 K","Acta Crystallographica Section C","2005","61","5","m234","m236","10.1107/S0108270105009121","","","","white-beam","","","0.0542","","","","0.0889","","","","","","1.171","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015043","18.4449","0.0005","9.0987","0.0003","18.675","0.0005","90","","90.535","0.002","90","","3133.99","0.16","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","catena-poly[bromotetrakis(μ2-tert-butoxo)- bis(tetrahydrofuran-?O)iron(III)dilithium]","","- C24 H52 Br Fe Li2 O6 -","- C24 H52 Br Fe Li2 O6 -","- C96 H208 Br4 Fe4 Li8 O24 -","4","1","SF1003","Barley, Helen R. L.; Kennedy, Alan R.; Mulvey, Robert E.","A mixed iron(III)/lithium alkoxide","Acta Crystallographica Section C","2005","61","7","m346","m347","10.1107/S0108270105017555","","","0.71073","MoKα","","0.0422","0.0293","","","0.0638","0.0696","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015346","10.3661","0.0002","9.5622","0.0002","9.1261","0.0002","90","","108.386","0.001","90","","858.43","0.03","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","cis-(isopropylamine) ammine dichloro platinum(II)","cis-Amminedichloroisopropylamineplatinum(II)","","- C3 H12 Cl2 N2 Pt -","- C3 H12 Cl2 N2 Pt -","- C12 H48 Cl8 N8 Pt4 -","4","1","DN3009","Kirik, Sergei D.; Starkov, Aleksandr K.; Kozhuhovskay, Galina A.","<i>cis</i>-Amminedichloroisopropylamineplatinum(II) by X-ray powder diffraction analysis","Acta Crystallographica Section C","2006","62","6","m249","m251","10.1107/S0108270106013503","","","1.5418","CuKα","","","","","","","","","","1.29","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015432","16.4733","0.0017","11.0224","0.001","19.693","0.002","90","","96.887","0.009","90","","3550","0.6","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[Fe(Cp*)~2~][Ni(dmio)~2~]","Decamethylferrocenium bis(2-oxo-1,3-dithiole-4,5-dithiolato-κ^2^S^4^,S^5^)nickelate(III) tetrahydrofuran solvate","","- C30 H38 Fe Ni O3 S8 -","- C30 H38 Fe Ni O3 S8 -","- C120 H152 Fe4 Ni4 O12 S32 -","4","1","GD3016","Rabaça, S.; Santos, I. C.; Duarte, M. T.; Gama, V.","Decamethylferrocenium bis(2-oxo-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)nickelate(III) tetrahydrofuran solvate","Acta Crystallographica Section C","2006","62","7","m278","m280","10.1107/S0108270106018191","","","0.71073","MoKα","","0.1652","0.072","","","0.122","0.149","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015531","10.727","0.007","5.828","0.003","12.613","0.009","90","","103.24","0.08","90","","767.6","0.9","291","2","291","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Sodium trichloromethanesulfonate monohydrate","","- C H2 Cl3 Na O4 S -","- C H2 Cl3 Na O4 S -","- C4 H8 Cl12 Na4 O16 S4 -","4","1","BC3009","Damian, Emiliana; Eriksson, Lars; Sandström, Magnus","Sodium trichloromethanesulfonate monohydrate","Acta Crystallographica Section C","2006","62","9","m419","m420","10.1107/S0108270106026448","","","0.71073","MoKα","","0.069","0.0476","","","0.1171","0.1266","","","","","","0.962","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015586","8.747","0.004","9.016","0.005","9.863","0.009","90","","100.96","0.04","90","","763.6","0.9","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Lead Vanadylphosphate","dilead vanadium oxide bis(phosphate)","","- O9 P2 Pb2 V -","- O9 P2 Pb2 V -","- O36 P8 Pb8 V4 -","4","1","AV3010","Roman V. Shpanchenko; Enrique E. Kaul; Christoph Geibel; Evgeny V. Antipov","The new lead vanadylphosphate Pb~2~VO(PO~4~)~2~","Acta Crystallographica Section C","2006","62","10","i88","i90","10.1107/S0108270106021597","","","0.71069","MoKα","","0.0321","0.0321","","","0.0445","0.0445","","","","","","1.62","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2015719","7.5109","0.0012","11.9244","0.0017","8.1794","0.0012","90","","98.405","0.013","90","","724.7","0.19","113","2","113","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1,3,5-trihydroxy-1,3,5-triazinane-2,4,6-trione dihydrate","","- C3 H7 N3 O8 -","- C3 H7 N3 O8 -","- C12 H28 N12 O32 -","4","1","AV3046","Đilović, Ivica; Matković-Čalogović, Dubravka; Kos, Ivan; Biruš, Mladen; Jadrijević-Mladar Takač, Milena","Cyclic trihydroxamic acid derivatives","Acta Crystallographica Section C","2007","63","1","o45","o47","10.1107/S0108270106049985","","","0.71073","MoKα","","0.0369","0.0335","","","0.0854","0.0881","","","","","","1.122","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016214","7.4161","0.0002","21.674","0.0006","9.0312","0.0003","90","","108.233","0.006","90","","1378.76","0.08","295","2","295","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","5-(5-Nitropyridin-2-yldithio)-1-phenyl-1H-tetrazole","","- C12 H8 N6 O2 S2 -","- C12 H8 N6 O2 S2 -","- C48 H32 N24 O8 S8 -","4","1","SF3052","Brito, Iván; Mundaca, Aldo; Cárdenas, Alejandro; López-Rodríguez, Matías","5-(5-Nitropyridin-2-yldithio)-1-phenyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","2007","63","10","o606","o608","10.1107/S010827010704142X","","","0.71073","MoKα","","","0.0497","","","","0.1387","","","","","","1.16","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016342","12.265","0.001","13.197","0.001","9.7385","0.0009","90","","108.63","0.01","90","","1493.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Ferrous iron hydroxide phosphate","diiron(II) phosphate hydroxide","","- Fe2 H O5 P -","- Fe2 H O5 P -","- Fe32 H16 O80 P16 -","16","4","IZ3034","Hatert, Frédéric","Fe^II^~2~(PO~4~)(OH), a synthetic analogue of wolfeite","Acta Crystallographica Section C","2007","63","12","i119","i121","10.1107/S0108270107053462","","","0.71073","MoKα","","0.081","0.03","","","0.0573","0.0652","","","","","","0.856","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016453","6.7246","0.0002","16.7456","0.0005","9.8026","0.0003","90","","97.32","0.002","90","","1094.85","0.06","173","2","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,4-Diethynyl-2,5-bis(heptyloxy)benzene","","- C24 H34 O2 -","- C24 H34 O2 -","- C48 H68 O4 -","2","0.5","SK3181","Figueira, João; Rodrigues, João; Russo, Luca; Rissanen, Kari","Three 2,5-dialkoxy-1,4-diethynylbenzene derivatives","Acta Crystallographica Section C","2008","64","2","o33","o36","10.1107/S0108270107065523","","","0.71073","MoKα","","","0.044","","","","0.1066","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016574","11.5658","0.0004","8.0116","0.0003","12.2308","0.0004","90","","93.453","0.002","90","","1131.26","0.07","296.1","","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(1-Pyridinio)perfluorophenacylide","","- C13 H6 F5 N O -","- C13 H6 F5 N O -","- C52 H24 F20 N4 O4 -","4","1","SQ3132","Yamada, Shinji; Ohta, Emiko","(1-Pyridinio)perfluorophenacylide: a new stable pyridinium ylide in the enol form","Acta Crystallographica Section C","2008","64","4","o230","o232","10.1107/S0108270108006318","","","1.54187","CuKα","","0.0372","0.0339","","","0.0984","0.104","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016694","7.9395","0.0011","5.3867","0.0008","8.0529","0.0012","90","","91.058","0.013","90","","344.35","0.09","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","indium tellurium trioxide fluoride","","- F In O3 Te -","- F In O3 Te -","- F4 In4 O12 Te4 -","4","1","SQ3138","Jennene Boukharrata, Nefla; Laval, Jean-Paul; Thomas, Philippe","Two new types of oxyfluorotellurates(IV): ScTeO~3~F and InTeO~3~F","Acta Crystallographica Section C","2008","64","7","i57","i61","10.1107/S0108270108017150","","","0.71073","MoKα","","0.0356","0.029","","","0.0817","0.0855","","","","","","1.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016895","18.93","0.01","23.029","0.008","12.807","0.004","90","","90.24","0.04","90","","5583","4","291","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","","","","","- C20 H45 Cl2 P Pt S -","- C20 Cl2 P Pt S -","- C160 Cl16 P8 Pt8 S8 -","8","2","PA1017","Michaud-Soret, I.; Kozelka, J.; Bois, C.","<i>cis</i>-Dichloro(di-<i>n</i>-butyl sulfide)(tri-<i>n</i>-butylphosphine)platinum(II)","Acta Crystallographica Section C","1993","49","3","589","591","10.1107/S0108270192010266","","","0.7107","MoKα","","","0.061","","","0.069","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2017461","9.817","0.002","9.741","0.003","11.012","0.002","90","","101.76","0.02","90","","1030.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","lithium cobalt(II/III) bis(diphosphate)","","- Co1.97 Li4.03 O14 P4 -","- Co1.969 Li4.021 O14 P4 -","- Co7.876 Li16.084 O56 P16 -","4","1","DN3129","Kouass, Salah; Guesmi, Abderrahmen; Driss, Ahmed","Le phosphate de cobalt et de lithium à valence mixte Li~4+<i>x~</i>Co~2{-~<i>x</i>}(P~2~O~7~)~2~ (<i>x</i> = 0,03): étude structurale et analyse de distribution de charge","Acta Crystallographica Section C","2010","66","1","i4","i6","10.1107/S0108270109052810","","","0.71073","MoKα","","0.0504","0.0377","","","0.0942","0.1002","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018857","7.518","","12.809","","5.904","","90","","92.25","","90","","568.105","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Pb Ag Sb S3","","- Ag Pb S3 Sb -","- Ag Pb S3 Sb -","- Ag4 Pb4 S12 Sb4 -","4","1","","Fan, H.-F.; Woolfson, M.M.; Main, P.; Yao, J.-X.","On the Application of Phase Relationships to Complex Structures. XXIII. Automatic Determination of Crystal Structures having Pseudo-Translational Symmetry by a Modified MULTAN Procedure","Acta Crystallographica C (39,1983-)","1983","39","","566","569","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019097","11.1132","0.0004","5.4109","0.0002","13.1888","0.0005","90","","106.37","0.002","90","","760.92","0.05","160","2","160","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Diaquabis(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zinc(II)","","- C18 H16 N2 O4 Zn -","- C18 H16 N2 O4 Zn -","- C36 H32 N4 O8 Zn2 -","2","0.5","SK3496","Varelas, Georgios; Salifoglou, Athanasios; Psycharis, Vassilis","Psuedosymmetry and pseudomerodry or nonmerohedral twinning for the known structure of diaquabis(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zinc(II)","Acta Crystallographica Section C","2013","69","8","868","871","10.1107/S0108270113018386","","","1.54178","CuKα","","0.0392","0.0338","","","0.0885","0.0912","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019332","10.7355","0.0009","9.1456","0.0007","4.8304","0.0004","90","","106.46","0.01","90","","454.82","0.07","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","D,L-Serine","(±) 2-Amino-3-hydroxypropionic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","","Dittrich, B.; Hübschle, C. B.; Messerschmidt, M.; Kalinowski, R.; Girnt, D.; Luger, P.","The invariom model and its application: refinement ofD,L-serine at different temperatures and resolution","Acta Crystallographica Section A Foundations of Crystallography","2005","61","3","314","320","10.1107/S0108767305005039","","","0.71073","MoKα","","0.0346","0.0223","","","","0.0257","","","","","","1.3889","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019333","10.7621","0.001","9.1771","0.0009","4.7883","0.0005","90","","106.76","0.02","90","","452.83","0.09","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","D,L-Serine","(±) 2-Amino-3-hydroxypropionic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","","Dittrich, B.; Hübschle, C. B.; Messerschmidt, M.; Kalinowski, R.; Girnt, D.; Luger, P.","The invariom model and its application: refinement ofD,L-serine at different temperatures and resolution","Acta Crystallographica Section A Foundations of Crystallography","2005","61","3","314","320","10.1107/S0108767305005039","","","0.71073","MoKα","","0.0347","0.0228","","","","0.0237","","","","","","1.2422","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019334","10.7764","0.001","9.1947","0.0009","4.7788","0.0005","90","","106.87","0.02","90","","453.13","0.09","20","","20","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","D,L-Serine","(±) 2-Amino-3-hydroxypropionic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","","Dittrich, B.; Hübschle, C. B.; Messerschmidt, M.; Kalinowski, R.; Girnt, D.; Luger, P.","The invariom model and its application: refinement ofD,L-serine at different temperatures and resolution","Acta Crystallographica Section A Foundations of Crystallography","2005","61","3","314","320","10.1107/S0108767305005039","","","0.71073","MoKα","","0.0272","0.0196","","","","0.0218","","","","","","1.2952","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2020186","15.509","","9.132","","18.021","","90","","125.306","","90","","2082.86","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Al Fe (Mo O4)3","","- Al Fe Mo3 O12 -","- Al Fe Mo3 O12 -","- Al8 Fe8 Mo24 O96 -","8","2","","Harrison, W.T.A.; Cheetham, A.K.","The structure of aluminium iron molybdate","Acta Crystallographica C (39,1983-)","1989","45","","178","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020197","9.236","","13.514","","6.246","","90","","106.84","","90","","746.165","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N H4)2 (Zn (H2 O)6) (S O4)2","","- H20 N2 O14 S2 Zn -","- H20 N2 O14 S2 Zn -","- H40 N4 O28 S4 Zn2 -","2","0.5","","Maslen, E.N.; Moore, F.H.; Watson, K.J.; Ridout, S.C.","Electron density in diammonium hexaaquazinc(II)sulfate an X-ray and neutron study","Acta Crystallographica C (39,1983-)","1988","44","","1510","1514","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020200","20.783","","10.105","","15.085","","90","","112.15","","90","","2934.23","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K5 H2 (Sb Mo6 O24) (H2 O)7","","- H16 K5 Mo6 O31 Sb -","- K5 Mo6 O31 Sb -","- K20 Mo24 O124 Sb4 -","4","1","","Ogawa, A.; Yamato, H.; Sasaki, Y.; Ichida, H.; Lee, U.; Kobayashi, A.","Structure of pentapotassium dihydrogen hexamolybdo antimonate heptahydrate","Acta Crystallographica C (39,1983-)","1988","44","","1879","1881","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020215","9.441","","5.37","","5.495","","90","","93.61","","90","","278.034","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- Pd7 Se2 -","- Pd7 Se2 -","- Pd14 Se4 -","2","0.5","","Sato, S.; Ishikawa, M.; Takabatake, T.","Structures of superconducting palladium selenides, Pd7 Se2 and Pd34 Se11","Acta Crystallographica C (39,1983-)","1989","45","","1","3","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020364","16.96","","7.7144","","6.9963","","90","","90.394","","90","","915.348","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Ca (P O3)2","","- Ca O6 P2 -","- Ca O6 P2 -","- Ca8 O48 P16 -","8","2","","Rothammel, W.; Burzlaff, H.; Specht, R.","Structure of calcium metaphosphate Ca (P O3)2","Acta Crystallographica C (39,1983-)","1989","45","","551","553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020377","8.34","","17.069","","8.813","","90","","91.47","","90","","1254.17","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Rb Bi (Cr2 O7)2","","- Bi Cr4 O14 Rb -","- Bi Cr4 O14 Rb -","- Bi4 Cr16 O56 Rb4 -","4","1","","Gerault, Y.; Cudennec, Y.; Riou, A.; le Marouille, J.Y.","Bis(dichromate) de bismuth et de rubidium, Rb Bi (Cr2 O7)2","Acta Crystallographica C (39,1983-)","1984","40","","220","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020635","13.214","0.002","13.043","0.002","9.5501","0.0008","90","","94.01","0.01","90","","1641.9","0.4","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","BaGe2O5-II","","","- Ba Ge2 O5 -","- Ba Ge2 O5 -","- Ba16 Ge32 O80 -","16","4","","Ozima, M.","Structure of high-pressure phases of barium germanium oxide, BaGe~2~O~5~","Acta Crystallographica, Section C: Crystal Structure Communications","1985","41","7","1003","1007","10.1107/s0108270185006357","","","","","","","","","","","","","","","","","","","","","has coordinates","200795","2020-10-21","18:00:00",""
"2020714","9.488","0.002","12.816","0.004","6.097","0.002","90","","107.11","0.01","90","","708.6","0.4","","","4.3","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cr D20 N2 O14 S2 -","- Cr D20 N2 O14 S2 -","- Cr2 D40 N4 O28 S4 -","2","0.5","","Figgis, Brian N.; Kucharski, Edward S.; Forsyth, J. Bruce","The structure of (ND4)2Cr(SO4)2.6D2O at 4.3 K by neutron diffraction","Acta Crystallographica Section C","1991","47","","419","421","10.1107/S0108270190007776","","neutron","1.176","","","","0.023","","","0.029","","","","","","","","","","","has coordinates","191940","2020-10-21","18:00:00",""
"2020755","9.735","0.002","21","0.005","7.14","0.004","90","","75.98","0.02","90","","1416.2","0.9","","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H32 Cl2 N2 O4 Sn -","- C30 Cl2 N2 O4 Sn -","- C60 Cl4 N4 O8 Sn2 -","2","0.5","","Kamwaya, M. E.; Khoo, L. E.","Molecular adduct of dimethyltin dichloride with 2-(p-methoxyphenyliminomethyl)phenol, [SnCl~2~(CH~3~)~2~(C~14~H~13~NO~2~)~2~]","Acta Crystallographica, Section C: Crystal Structure Communications","1985","41","7","1027","1029","10.1107/s0108270185006448","","x-ray","0.71069","MoKα","","","0.0417","","","0.042","","","","","","","","","","","has coordinates","200783","2020-10-21","18:00:00",""
"2021178","12.3957","0.0008","4.9381","0.0002","14.2102","0.0012","90","","94.871","0.006","90","","866.68","0.1","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","3-(3-Chloro/bromophenyl)prop-2-enoic acid","","- C9 H7 Br0.43 Cl0.57 O2 -","- C9 H7 Br0.425 Cl0.575 O2 -","- C36 H28 Br1.7 Cl2.3 O8 -","4","1","KU3223","Khoj, Manal A.; Hughes, Colan E.; Harris, Kenneth D. M.; Kariuki, Benson M.","Polymorphic phase transformations of 3-chloro-<i>trans</i>-cinnamic acid and its solid solution with 3-bromo-<i>trans</i>-cinnamic acid","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009269","","","1.54184","CuKα","","0.0479","0.0367","","","0.0899","0.0972","","","","","","0.996","","","","has coordinates","209026","2020-10-21","18:00:00",""
"2021342","13.2517","0.0003","10.0091","0.0002","13.958","0.0003","90","","112.931","0.0012","90","","1705.05","0.06","295","","295","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","<i>N</i>,<i>N</i>'-(1,4-Phenylene)bis(<i>O</i>,<i>O</i>'-dimethylthiophosphoramidate)","","- C10 H18 N2 O4 P2 S2 -","- C10 H18 N2 O4 P2 S2 -","- C40 H72 N8 O16 P8 S8 -","4","1","CU3131","Vahdani Alviri, Banafsheh; Pourayoubi, Mehrdad; Farhadipour, Abolghasem; Nečas, Marek; Bertolasi, Valerio","A combined X-ray crystallography and theoretical study of N—H···O<i>X</i> (<i>X</i> is =P and —C) hydrogen bonds in two new structures with a (C—O)~2~(N)P(=<i>Y</i>) (<i>Y</i> is O and S) skeleton","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014006","","","0.71073","MoKα","","0.0568","0.0423","","","0.1046","0.1148","","","","","","1.016","","","","has coordinates,has Fobs","211977","2020-10-21","18:00:00",""
"2022015","10.7764","0.001","9.1947","0.0009","4.7788","0.0005","90","","106.87","0.02","90","","453.13","0.09","20","","20","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0159","0.0148","","","0.0359","0.0362","","","","","","0.9499","","","","has coordinates","250594","2020-10-21","18:00:00",""
"2100132","10.4021","0.0003","15.3698","0.0006","16.6432","0.0007","90","","99.085","0.0016","90","","2627.5","0.17","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H33 N7 O5 -","- C24 H33 N7 O5 -","- C96 H132 N28 O20 -","4","1","","","","Acta Crystallographica, Section B","2005","61","","569","576","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100197","10.1282","0.0004","10.2303","0.0005","8.31325","0.00035","90","","93.2908","0.0017","90","","859.95","0.07","180","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","gamma butyrolactone","","","- C4 H6 O2 -","- C4 H6 O2 -","- C32 H48 O16 -","8","2","","Papoular, Robert J; Allouchi, Hassan; Chagnes, Alexandre; Dzyabchenko, Alexander V; Carre, Bernard; Lemordant, Daniel; Agafonov, Viatcheslav","X-Ray powder diffraction structure determination of γ-butyrolactone at 180 K. Phase problem solution from the lattice energy minimization with two independent molecules.","Acta Crystallographica, Section B","2005","61","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100603","8.0348","0.0015","5.8899","0.0008","8.565","0.003","90","","123.59","0.02","90","","337.65","0.16","298","2","298","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","naphthalene","","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","BS5035","F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham","Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene","Acta Crystallographica Section B","2006","62","5","826","842","10.1107/S0108768106026814","","","0.71073","MoKα","","0.0999","0.0707","","","0.1578","0.1807","","","","","","1.225","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100604","7.9948","0.0012","5.8726","0.0008","8.542","0.002","90","","123.677","0.016","90","","333.74","0.12","298","2","298","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","naphthalene","","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","BS5035","F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham","Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene","Acta Crystallographica Section B","2006","62","5","826","842","10.1107/S0108768106026814","","","0.71073","MoKα","","0.0919","0.0624","","","0.1754","0.197","","","","","","1.073","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100605","7.8523","0.0011","5.8106","0.0009","8.474","0.002","90","","124.027","0.016","90","","320.44","0.12","298","2","298","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","naphthalene","","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","BS5035","F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham","Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene","Acta Crystallographica Section B","2006","62","5","826","842","10.1107/S0108768106026814","","","0.71073","MoKα","","0.1326","0.0963","","","0.1835","0.2013","","","","","","1.158","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100606","7.6778","0.0017","5.721","0.001","8.395","0.003","90","","124.55","0.02","90","","303.71","0.16","298","2","298","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","naphthalene","","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","BS5035","F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham","Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene","Acta Crystallographica Section B","2006","62","5","826","842","10.1107/S0108768106026814","","","0.71073","MoKα","","0.1573","0.1204","","","0.2932","0.3256","","","","","","1.139","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100607","15.35","0.09","3.852","0.003","8.65","0.07","90","","103.3","0.4","90","","498","5","298","2","298","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","pyrene","","","- C16 H10 -","- C16 H10 -","- C32 H20 -","2","0.5","BS5035","F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham","Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene","Acta Crystallographica Section B","2006","62","5","826","842","10.1107/S0108768106026814","","","0.71073","MoKα","","0.2523","0.1182","","","0.3024","0.4076","","","","","","1.08","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100608","15.309","0.004","3.8375","0.0005","8.3341","0.0016","90","","102.606","0.019","90","","477.81","0.17","298","2","298","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","pyrene","","","- C16 H10 -","- C16 H10 -","- C32 H20 -","2","0.5","BS5035","F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham","Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene","Acta Crystallographica Section B","2006","62","5","826","842","10.1107/S0108768106026814","","","0.71073","MoKα","","0.2227","0.1336","","","0.3232","0.4006","","","","","","1.111","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100625","14.331","0.007","4.535","0.002","6.514","0.003","90","","91.67","0.02","90","","423.2","0.3","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- H2 O4 P Tl -","- H2 O4 P Tl -","- H8 O16 P4 Tl4 -","4","1","LC5039","Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G.","Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature","Acta Crystallographica, Section B","2006","62","4","719","728","10.1107/S0108768106018222","","neutron","1.2413","neutron","","","0.051","","","","0.0603","","","","","","3.9","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100626","14.26","0.02","4.517","0.009","6.497","0.01","90","","92.19","0.13","90","","418.2","1.1","240","","240","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- H2 O4 P Tl -","- H2 O4 P Tl -","- H8 O16 P4 Tl4 -","4","1","LC5039","Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G.","Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature","Acta Crystallographica, Section B","2006","62","4","719","728","10.1107/S0108768106018222","","neutron","0.8724","neutron","","","0.0458","","","","0.0544","","","","","","2.21","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100747","10.048","0.008","5.382","0.002","17.525","0.013","90","","95.63","0.04","90","","943.2","1.1","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","HA0069","Kojić-Prodić, B.; Nigović, B.; Tomić, S.; Ilić, N.; Magnus, V.; Giba, Z.; Konjević, R.; Duax, W. L.","Structural studies on 5-(<i>n</i>-alkyl)-substituted derivatives of the plant hormone indole-3-acetic acid","Acta Crystallographica Section B","1991","47","6","1010","1019","10.1107/S0108768191008996","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100749","6.281","0.002","8.022","0.001","23.205","0.006","90","","91.26","0.01","90","","1168.9","0.5","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","HA0069","Kojić-Prodić, B.; Nigović, B.; Tomić, S.; Ilić, N.; Magnus, V.; Giba, Z.; Konjević, R.; Duax, W. L.","Structural studies on 5-(<i>n</i>-alkyl)-substituted derivatives of the plant hormone indole-3-acetic acid","Acta Crystallographica Section B","1991","47","6","1010","1019","10.1107/S0108768191008996","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100750","6.332","0.006","8.116","0.004","24.92","0.02","90","","93.33","0.04","90","","1278.5","1.7","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","HA0069","Kojić-Prodić, B.; Nigović, B.; Tomić, S.; Ilić, N.; Magnus, V.; Giba, Z.; Konjević, R.; Duax, W. L.","Structural studies on 5-(<i>n</i>-alkyl)-substituted derivatives of the plant hormone indole-3-acetic acid","Acta Crystallographica Section B","1991","47","6","1010","1019","10.1107/S0108768191008996","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100761","9.399","0.002","12.673","0.002","6.071","0.001","90","","107.13","0.01","90","","691.1","0.2","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu D20 N2 O14 S2 -","- Cu D20 N2 O14 S2 -","- Cu2 D40 N4 O28 S4 -","2","0.5","AL0504","Figgis, B. N.; Khor, L.; Kucharski, E. S.; Reynolds, P. A.","Charge density around a Jahn-Teller-distorted site: (ND~4~)~2~Cu(SO~4~)~2~.6D~2~O at 85 K","Acta Crystallographica Section B","1992","48","2","144","151","10.1107/S010876819101323X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2100815","21.01","0.001","18.725","0.002","11.574","0.001","90","","104.9","0.01","90","","4400.3","0.7","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H26 Cl12 Cu2 N2 O8 -","- C29 H26 Cl12 Cu2 N2 O8 -","- C116 H104 Cl48 Cu8 N8 O32 -","4","1","AS0591","Uekusa, H.; Ohba, S.; Tokii, T.; Muto, Y.; Kato, M.; Husebye, S.; Steward, O. W.; Chang, S.-C.; Rose, J. P.; Pletcher, J. F.; Suzuki, I.","Magneto-structural corrections of dimeric copper(II) trichloroacetates","Acta Crystallographica Section B","1992","48","5","650","667","10.1107/S0108768192002908","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","208452","2020-10-21","18:00:00",""
"2100820","20.37","0.002","18.296","0.003","11.505","0.002","90","","100.35","0.01","90","","4218","1.1","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C24 H12 Cl16 Cu2 N2 O8 -","- C24 H12 Cl16 Cu2 N2 O8 -","- C96 H48 Cl64 Cu8 N8 O32 -","4","1","AS0591","Uekusa, H.; Ohba, S.; Tokii, T.; Muto, Y.; Kato, M.; Husebye, S.; Steward, O. W.; Chang, S.-C.; Rose, J. P.; Pletcher, J. F.; Suzuki, I.","Magneto-structural corrections of dimeric copper(II) trichloroacetates","Acta Crystallographica Section B","1992","48","5","650","667","10.1107/S0108768192002908","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","208452","2020-10-21","18:00:00",""
"2100824","20.788","0.005","17.951","0.004","9.693","0.002","90","","99.45","0.02","90","","3568","1.4","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H8 Cl12 Cu2 N4 O8 -","- C20 H8 Cl12 Cu2 N4 O8 -","- C80 H32 Cl48 Cu8 N16 O32 -","4","1","AS0591","Uekusa, H.; Ohba, S.; Tokii, T.; Muto, Y.; Kato, M.; Husebye, S.; Steward, O. W.; Chang, S.-C.; Rose, J. P.; Pletcher, J. F.; Suzuki, I.","Magneto-structural corrections of dimeric copper(II) trichloroacetates","Acta Crystallographica Section B","1992","48","5","650","667","10.1107/S0108768192002908","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","208452","2020-10-21","18:00:00",""
"2100855","12.337","0.002","6.361","0.003","19.891","0.002","90","","96.44","0.01","90","","1551.1","0.8","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 O -","- C22 H24 O -","- C88 H96 O4 -","4","1","ST0578","Watson, W. H.; Kashyap, R. P.; Krawiec, M.; Marchand, A. P.; Reddy, C. M.; Gadgil, V. R.","<i>meso</i>- and <small>D</small>,<small>L</small>-<i>D</i>~3~-trishomocubylidene-<i>D</i>~3~-trishomocubane oxides and <small>D</small>,<small>L</small>-bi-<i>D</i>~3~-trishomocubyl","Acta Crystallographica Section B","1992","48","5","731","737","10.1107/S0108768192004178","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2100866","9.584","0.002","7.601","0.003","8.903","0.002","90","","92.67","0.03","90","","647.9","0.3","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C7 H6 F N O -","- C7 H6 F N O -","- C28 H24 F4 N4 O4 -","4","1","AS0604","Kubota, M.; Ohba, S.","Electron-density distribution in fluorobenzene derivatives","Acta Crystallographica Section B","1992","48","6","849","854","10.1107/S0108768192006062","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100870","9.902","0.002","9.381","0.002","15.174","0.002","90","","103.25","0.01","90","","1372","0.4","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H15 Cl2 N O3 -","- C13 H15 Cl2 N O3 -","- C52 H60 Cl8 N4 O12 -","4","1","CR0416","Ammon, H. L.; Bashir-Hashemi, A.","Structures of secocubane and nortwistbrendane derivatives","Acta Crystallographica Section B","1992","48","6","832","837","10.1107/S0108768192005238","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2100956","8.67","0.004","14.095","0.004","11.682","0.002","90","","99.32","","90","","1408.7","0.8","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C12 H17 N5 O S -","- C12 H17 N5 O S -","- C48 H68 N20 O4 S4 -","4","1","HA0114","Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S.","Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine","Acta Crystallographica Section B","1993","49","3","547","559","10.1107/S0108768193000217","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101002","10.9354","0.0006","14.502","0.001","13.019","0.001","90","","114.481","0.004","90","","1879","0.2","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C21 H14 Cl N3 O2 -","- C21 H14 Cl N3 O2 -","- C84 H56 Cl4 N12 O8 -","4","1","HH0630","Duke, N. E. C.; Codding, P. W.","Structural and molecular modeling studies of quinazolinone anticonvulsants","Acta Crystallographica Section B","1993","49","4","719","726","10.1107/S0108768193000576","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","199437","2020-10-21","18:00:00",""
"2101038","9.393","0.002","12.666","0.002","6.061","0.001","90","","107.16","0.01","90","","689","0.2","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- Cu D20 N2 O14 S2 -","- N2 O14 S2 -","- N4 O28 S4 -","2","0.5","HL0025","Figgis, B. N.; Iversen, B. B.; Larson, F. K.; Reynolds, P. A.","<i>X</i>‒<i>N</i> study of the electron density in (ND~4~)~2~Cu(SO~4~)~2~.6D~2~O at 9 K: flexible radial functions are vital","Acta Crystallographica Section B","1993","49","5","794","806","10.1107/S0108768193002812","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101064","16.621","0.002","18.803","0.002","9.155","0.001","90","","105.03","0.02","90","","2763.3","0.6","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C24 H36 Co N6 O4 -","- C25 H38 Co N6 O4 -","- C100 H152 Co4 N24 O16 -","4","1","AS0637","Takenaka, Y.; Ohashi, Y.; Tamura, T.; Uchida, A.; Sasada, Y.","Three polymorphs of (<i>rac</i>-1-cyanoethyl)(pyrrolidine)cobaloxime","Acta Crystallographica Section B","1993","49","6","1015","1020","10.1107/S0108768193007347","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101082","11.641","0.005","13.914","0.01","10.399","0.006","90","","102.71","0.04","90","","1643.1","1.7","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","AS0644","Mori, Y.; Maeda, K.","Structures and photochemical reactions of 1-(9-anthryl)-2-aroylethylenes: competing <i>cis</i>‒<i>trans</i> isomerization and skeletal rearrangement","Acta Crystallographica Section B","1994","50","1","106","112","10.1107/S0108768193008961","","","0.71068","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101088","9","0.004","9.398","0.001","11.355","0.008","90","","110.97","0.04","90","","896.8","0.8","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C40 H36 N12 O4 -","4","1","HA0118","Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G.","Crystal and molecular structures of pyridazinone cardiovascular agents","Acta Crystallographica Section B","1994","50","1","71","85","10.1107/S0108768193005713","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101143","10.8657","0.0014","9.2663","0.001","15.722","0.002","90","","107.474","0.01","90","","1509.9","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C64 H56 F8 O24 -","8","2","AB0316","Larsen, S.; Marthi, K.","Structures of racemic monofluoro-substituted mandelic acids, their relation to the thermochemical properties and an analysis of short intermolecular fluorine‒carbon contacts","Acta Crystallographica Section B","1994","50","3","373","381","10.1107/S0108768193010766","","","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101199","15.431","0.005","15.83","0.005","3.951","0.002","90","","91.06","0.1","90","","965","0.7","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C6 H2 N3 O7 Tl -","- C6 H2 N3 O7 Tl -","- C24 H8 N12 O28 Tl4 -","4","1","MU0313","Botoshansky, M.; Herbstein, F. H.; Kapon, M.","Crystallography of metal picrates. II. Crystal structure of yellow thallium(I) picrate; relations among various M(I) picrate phases","Acta Crystallographica Section B","1994","50","5","589","596","10.1107/S0108768194001746","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101208","8.232","0.002","11.277","0.001","15.448","0.003","90","","105.15","0.02","90","","1384.2","0.5","188","","188","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","5-acetyl-1,1,2,3,3-pentamethylindan","","- C16 H22 O -","- C16 H22 O -","- C64 H88 O4 -","4","1","SH0044","De Ridder, Dirk J.A.^3^; Čapková, Pavla^4^; Hatjisymeon, Kostas^5^; Fraanje, Jan; Schenk, Henk","Crystal studies of musk compounds. VIII. Structures of five homologues of musk phantolid","Acta Crystallographica Section B","1994","50","5","607","616","10.1107/S0108768194001497","","","1.5418","CuKα","","0.056","0.056","","0.072","0.072","","","","0.203","0.203","0.203","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101277","5.971","0.002","7.411","0.003","13.731","0.002","90","","99.13","0.01","90","","599.9","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C14 H12 Cl N -","- C54 H60 Cl4 N4 -","- C108 H120 Cl8 N8 -","2","0.5","BK0015","Haller, K. J.; Rae, A. D.; Heerdegen, A. P.; Hockless, D. C. R.; Welberry, T. R.","The fourfold disordered structures of <i>p</i>-chloro-<i>N</i>-(<i>p</i>-methylbenzylidene)aniline and <i>p</i>-methyl-<i>N</i>-(<i>p</i>-chlorobenzylidene)aniline","Acta Crystallographica Section B","1995","51","2","187","197","10.1107/S0108768194010748","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101406","14.984","0.005","4.802","0.002","10.26","0.003","90","","111.52","0.01","90","","686.8","0.4","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","","","","","- C18 H18 -","- C36 H36 -","- C72 H72 -","2","0.5","HA0138","Gorter, S.; Rutten-Keulemans, E.; Krever, M.; Romers, C.; Cruickshank, D. W. J.","[18]-Annulene, C~18~H~18~, structure, disorder and Hückel's 4<i>n</i> + 2 rule","Acta Crystallographica Section B","1995","51","6","1036","1045","10.1107/S0108768195004927","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101411","9.9069","0.0013","4.737","0.002","16.382","0.002","90","","104.681","0.011","90","","743.7","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","HE0119","Harding, M. M.; Kariuki, B. M.; Williams, L.; Anwar, J.","<small>DL</small>-Norleucine: redetermination of structure and observations with synchrotron radiation Laue diffraction on heating towards transformation","Acta Crystallographica Section B","1995","51","6","1059","1062","10.1107/S0108768195006331","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101416","11.793","0.004","7.92","0.001","18.366","0.002","90","","100.01","0.02","90","","1689.3","0.6","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C20 H18 N4 O -","- C20 H18 N4 O -","- C80 H72 N16 O4 -","4","1","NA0069","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups","Acta Crystallographica Section B","1995","51","6","1004","1015","10.1107/S0108768195004009","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101448","13.922","0.006","6.951","0.003","30.173","0.007","90","","93.04","0.03","90","","2915.8","1.9","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C16 H16 Cl N O3 -","- C16 H16 Cl N O3 -","- C128 H128 Cl8 N8 O24 -","8","2","KA0027","Böcskei, Zs.; Simon, K.; Németh, V.; Ágai, B.; Toke, L.","Interesting conformational and substitutional disorder in the crystal structures of three homologous crowns","Acta Crystallographica Section B","1996","52","1","194","200","10.1107/S0108768195008135","","","1.5418","CuKα","","0.3347","0.0748","","0.342","0.1907","","","","0.97","1.308","1.308","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101497","16.607","0.002","11.427","0.003","9.668","0.002","90","0.02","114.38","0.02","90","0.02","1671.1","0.6","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H21 N3 -","- C19 H21 N3 -","- C76 H84 N12 -","4","1","KA0029","André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P.","The crystal packing modes of three sterically overcrowded imidazole derivatives","Acta Crystallographica Section B","1996","52","2","369","375","10.1107/S0108768195011293","","","1.5418","CuKα","","","0.038","","","0.037","","","","","4.52","4.52","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101498","16.393","0.007","9.235","0.008","11.176","0.012","90","","128.01","0.07","90","","1333","2","293","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H36 Cl2 N2 Pd2 S4 -","- C18 H36 Cl2 N2 Pd2 S4 -","- C36 H72 Cl4 N4 Pd4 S8 -","2","0.5","LI0206","Nyburg, S. C.","Structure of a twin initially solved from a partial data set: di-μ-chlorobis-[di-<i>n</i>-butyldithiocarbamato]dipalladium","Acta Crystallographica Section B","1996","52","2","328","331","10.1107/S0108768195012808","","","0.7107","Mo","","","0.053","","","0.06","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101534","9.014","0.002","14.917","0.002","12.412","0.002","90","","108.84","0.01","90","","1579.5","0.5","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1,2,3,4,10,14b-Hexahydro-2-methyldibenzo[c,f]pyrizino [1,2-a]azepine hydrochloride (Mianserin.HCl)","","- C18 H21 Cl N2 -","- C18 H21 Cl N2 -","- C72 H84 Cl4 N8 -","4","1","NA0073","Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V.","Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes","Acta Crystallographica Section B","1996","52","3","509","518","10.1107/S0108768195014765","","","0.71069","MoKα","","","0.063","","","0.051","","","","","1.61","1.61","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101557","9.191","","14.632","","7.738","","90","","101.32","","90","","1020.38","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C9 H10 Cl2 N2 O -","- C9 H10 Cl2 N2 O -","- C36 H40 Cl8 N8 O4 -","4","1","DU0403","Pfefer, G.; Boistelle, R.","Experimental and theoretical morphologies of diuron, <i>N</i>'-(3,4-dichlorophenyl)-<i>N</i>,<i>N</i>-dimethylurea","Acta Crystallographica, Section B: Structural Science","1996","52","4","662","667","10.1107/S010876819600047X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","209631","2020-10-21","18:00:00",""
"2101563","9.36","0.001","5.167","0.004","17.751","0.004","90","","93.75","0.01","90","","856.7","0.7","100","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C10 H8 F N O2 -","- C10 H8 F N O2 -","- C40 H32 F4 N4 O8 -","4","1","SE0185","Antolić, A.; Kojić-Prodić, B.; Tomić, S.; Nigović, B.; Magnus, V.; Cohen, J. D.","Structural studies on monofluorinated derivatives of the phytohormone indole-3-acetic acid (auxin)","Acta Crystallographica Section B","1996","52","4","651","661","10.1107/S0108768195016302","","","0.71073","MoKα","","","0.048","","","0.048","","","","","0.8","0.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101564","9.935","0.005","5.0059","0.0004","17.61","0.001","90","","102.13","0.01","90","","856.3","0.4","100","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C10 H8 F N O2 -","- C10 H8 F N O2 -","- C40 H32 F4 N4 O8 -","4","1","SE0185","Antolić, A.; Kojić-Prodić, B.; Tomić, S.; Nigović, B.; Magnus, V.; Cohen, J. D.","Structural studies on monofluorinated derivatives of the phytohormone indole-3-acetic acid (auxin)","Acta Crystallographica Section B","1996","52","4","651","661","10.1107/S0108768195016302","","","1.5418","CuKα","","","0.035","","","0.04","","","","","0.39","0.39","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101633","10.228","0.003","32.818","0.003","15.529","0.003","90","","99.79","0.02","90","","5136.6","1.9","294","","294.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32.75 H28.25 Cl0.75 N O -","- C33.8 H25 Cl0.25 N O -","- C270.4 H200 Cl2 N8 O8 -","8","2","FG0004","Jones, R.; Rattray, A. G. M.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.","Structures and photochemistry of dibenzobarrelene monoamides","Acta Crystallographica Section B","1996","52","6","1007","1013","10.1107/S0108768196009056","","","1.5418","CuKα","","0.1737","0.0471","","0.0445","0.0411","","","","","2.41","2.41","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101887","12.184","0.0011","5.7888","0.0014","15.2282","0.0012","90","","112.44","0.007","90","","992.7","0.3","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(E)-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","1.54184","Cu_Kα","","0.108","0.0953","","0.2095","0.1917","","","","1.185","1.214","1.214","","","","","has coordinates,has disorder","277834","2022-09-14","16:39:44",""
"2101888","12.184","0.0011","5.7888","0.0014","15.2282","0.0012","90","","112.44","0.007","90","","992.7","0.3","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(E)-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","1.54184","Cu_Kα","","0.1105","0.0974","","0.2183","0.2007","","","","1.192","1.23","1.23","","","","","has coordinates,has disorder","277834","2022-09-14","16:39:44",""
"2101889","12.034","0.002","5.695","0.002","14.979","0.002","90","","112.436","0.011","90","","948.9","0.4","82","","82","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(E)-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","0.71073","Mo_Kα","","0.0985","0.0545","","0.16","0.137","","","","1.05","1.086","1.086","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101896","11.9762","0.0012","4.8462","0.0005","9.7193","0.001","90","","89.654","0.009","90","","564.09","0.1","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(E)-4,4'-dimethylazobenzene","","- C14 H14 N2 -","- C14 H14 N2 -","- C28 H28 N4 -","2","0.5","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","0.71073","Mo_Kα","","0.11","0.0665","","0.1971","0.1678","","","","1.047","1.14","1.14","","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2101897","11.819","0.002","4.781","0.002","9.602","0.002","90","","89.87","0.02","90","","542.6","0.3","90","","90","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(E)-4,4'-dimethylazobenzene","","- C14 H14 N2 -","- C14 H14 N2 -","- C28 H28 N4 -","2","0.5","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","0.71073","Mo_Kα","","0.0791","0.057","","0.1637","0.1494","","","","1.112","1.169","1.169","","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2101911","7.931","0.001","23.158","0.005","6.856","0.002","90","","113.44","0.02","90","","1155.3","0.5","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C10 H44 N4 O14 P2 -","- C10 H44 N4 O14 P2 -","- C20 H88 N8 O28 P4 -","2","0.5","BK0042","Cohen, A. E.; Craven, B. M.; Klooster, W. T.","Structure and Thermal Vibrations of Spermine Phosphate Hexahydrate from Neutron Diffraction Data at 125K","Acta Crystallographica Section B","1997","53","5","787","794","10.1107/S0108768197005892","","neutron","1.16395","neutron","","","","","","","","","","","","","","","","","has coordinates","190615","2020-10-21","18:00:00",""
"2101921","11.8097","0.0009","8.2776","0.0007","12.003","0.001","90","","94.951","0.004","90","","1168.99","0.17","20","","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","5-ethynyl-5H-dibenzo[a,d]cyclohepten-5-ol","","- C17 H12 O -","- C17 H12 O -","- C68 H48 O4 -","4","1","KA0035","Steiner, T.; Mason, S. A.; Tamm, M.","Neutron Diffraction Study of Aromatic Hydrogen Bonds: 5-Ethynyl-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-ol at 20K","Acta Crystallographica Section B","1997","53","5","843","848","10.1107/S0108768197006174","","neutron","1.3135","thermalneutron","","0.0703","0.0483","","0.1207","0.1038","","","","1.065","1.113","1.113","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101932","10.443","0.005","7.572","0.004","5.824","0.004","90","","120.95","0.08","90","","395","0.5","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C10 H10 Fe -","- C10 H10 Fe -","- C20 H20 Fe2 -","2","0.5","CR0517","Brock, C. P.; Fu, Y.","Rigid-Body Disorder Models for the High-Temperature Phase of Ferrocene","Acta Crystallographica Section B","1997","53","6","928","938","10.1107/S0108768197005132","","neutron","1.0399","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101933","10.53","0.008","7.604","0.005","5.921","0.004","90","","121.05","0.08","90","","406.2","0.7","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C10 H10 Fe -","- C10 H10 Fe -","- C20 H20 Fe2 -","2","0.5","CR0517","Brock, C. P.; Fu, Y.","Rigid-Body Disorder Models for the High-Temperature Phase of Ferrocene","Acta Crystallographica Section B","1997","53","6","928","938","10.1107/S0108768197005132","","neutron","1.0399","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101934","10.443","0.005","7.572","0.004","5.824","0.004","90","","120.95","0.08","90","","395","0.5","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C10 H10 Fe -","- C20 H20 Fe -","- C40 H40 Fe2 -","2","0.5","CR0517","Brock, C. P.; Fu, Y.","Rigid-Body Disorder Models for the High-Temperature Phase of Ferrocene","Acta Crystallographica Section B","1997","53","6","928","938","10.1107/S0108768197005132","","neutron","1.0399","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101935","10.53","0.008","7.604","0.005","5.921","0.004","90","","121.05","0.08","90","","406.2","0.7","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C10 H10 Fe -","- C20 H20 Fe -","- C40 H40 Fe2 -","2","0.5","CR0517","Brock, C. P.; Fu, Y.","Rigid-Body Disorder Models for the High-Temperature Phase of Ferrocene","Acta Crystallographica Section B","1997","53","6","928","938","10.1107/S0108768197005132","","neutron","1.0399","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101936","10.443","0.005","7.572","0.004","5.824","0.004","90","","120.95","0.08","90","","395","0.5","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C10 H10 Fe -","- C30 H30 Fe -","- C60 H60 Fe2 -","2","0.5","CR0517","Brock, C. P.; Fu, Y.","Rigid-Body Disorder Models for the High-Temperature Phase of Ferrocene","Acta Crystallographica Section B","1997","53","6","928","938","10.1107/S0108768197005132","","neutron","1.0399","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101937","10.53","0.008","7.604","0.005","5.921","0.004","90","","121.05","0.08","90","","406.2","0.7","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C10 H10 Fe -","- C30 H30 Fe -","- C60 H60 Fe2 -","2","0.5","CR0517","Brock, C. P.; Fu, Y.","Rigid-Body Disorder Models for the High-Temperature Phase of Ferrocene","Acta Crystallographica Section B","1997","53","6","928","938","10.1107/S0108768197005132","","neutron","1.0399","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101938","10.8834","0.0012","11.2355","0.001","14.743","0.002","90","","104.295","0.008","90","","1747","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-(1-naphthyl)-4-methylpiperazine maleate","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","HA0157","Verdonk, M. L.; Voogd, J. W.; Kanters, J. A.; Kroon, J.; den Besten, R.; Brandsma, L.; Leysen, D.; Kelder, J.","Structure and Serotonin 5-HT~2C~ Receptor Activity of <i>ortho</i>- and <i>meta</i>-Substituted Phenylpiperazines","Acta Crystallographica Section B","1997","53","6","976","983","10.1107/S0108768197009142","","","0.71073","MoKα","","0.1988","0.0568","","0.1301","0.1029","","","","0.83","1.158","1.158","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101985","7.51","0.05","21.16","0.05","7.66","0.05","90","","92.043","0.01","90","","1216","12","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","S-(2-Nitrophenyl)benzenecarbothiolate","","- C13 H9 N O3 S -","- C13 H9 N O3 S -","- C52 H36 N4 O12 S4 -","4","1","NA0092","Low, John N.; Storey, Emily J.; McCarron, Mary; Wardell, James L.; Ferguson, George; Glidewell, Christopher","Conformational preferences in 2-nitrophenylthiolates: interplay between intra- and intermolecular forces; structures of (<i>E</i>)-1-(4-methyl-2-nitrobenzenethiolato)-2-phenylethene, <i>S</i>-(2-nitrophenyl)benzenecarbothiolate and 1-(2-nitrophenylthio)-2,5-pyrrolidinedione","Acta Crystallographica Section B","2000","56","1","58","67","10.1107/S0108768199009702","","","0.71073","MoKα","","0.0849","0.0441","","","","0.1522","","","","","","0.917","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101986","7.918","0.005","13.132","0.005","10.983","0.005","90","","110.7","0.3","90","","1068","2","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1-(2-Nitrophenylthio)-2,5-pyrrolidinedione","","- C10 H8 N2 O4 S -","- C10 H8 N2 O4 S -","- C40 H32 N8 O16 S4 -","4","1","NA0092","Low, John N.; Storey, Emily J.; McCarron, Mary; Wardell, James L.; Ferguson, George; Glidewell, Christopher","Conformational preferences in 2-nitrophenylthiolates: interplay between intra- and intermolecular forces; structures of (<i>E</i>)-1-(4-methyl-2-nitrobenzenethiolato)-2-phenylethene, <i>S</i>-(2-nitrophenyl)benzenecarbothiolate and 1-(2-nitrophenylthio)-2,5-pyrrolidinedione","Acta Crystallographica Section B","2000","56","1","58","67","10.1107/S0108768199009702","","","0.71073","MoKα","","0.0658","0.0352","","","","0.1215","","","","","","0.858","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102084","9.0964","0.0009","12.2225","0.0011","6.3447","0.0007","90","","106.295","0.007","90","","677.07","0.12","9.5","0.2","9.5","0.2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Ammonium copper Tutton salt","","","- Cu H20 N2 O14 S2 -","- Cu H20 N2 O14 S2 -","- Cu2 H40 N4 O28 S4 -","2","0.5","TA0006","Figgis, Brian N.; Sobolev, Alexandre N.; Simmons, Charles J.; Hitchman, Michael A.; Stratemeier, Horst; Riley, Mark J.","Bonding effects and the crystal structures of (NH~4~)~2~[Cu(H~2~O)~6~](SO~4~)~2~ and its H~2~^18^O substituted form at 9.5K","Acta Crystallographica Section B","2000","56","3","438","443","10.1107/S0108768100000963","","","0.71073","MoKα","","0.0226","0.0213","","","","0.0597","","","","","","1.122","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2102085","9.0921","0.0006","12.2195","0.0008","6.3442","0.0005","90","","106.277","0.005","90","","676.59","0.08","9.5","0.2","9.5","0.2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Ammonium copper Tutton salt (18-O water)","","","- Cu H20 N2 O14 S2 -","- Cu H20 N2 O14 S2 -","- Cu2 H40 N4 O28 S4 -","2","0.5","TA0006","Figgis, Brian N.; Sobolev, Alexandre N.; Simmons, Charles J.; Hitchman, Michael A.; Stratemeier, Horst; Riley, Mark J.","Bonding effects and the crystal structures of (NH~4~)~2~[Cu(H~2~O)~6~](SO~4~)~2~ and its H~2~^18^O substituted form at 9.5K","Acta Crystallographica Section B","2000","56","3","438","443","10.1107/S0108768100000963","","","0.71073","MoKα","","0.0208","0.0199","","","","0.054","","","","","","1.184","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2102109","16.047","0.002","5.084","0.002","9.584","0.002","90","","94.06","0.01","90","","779.9","0.4","298","1","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H9 N O -","- C9 H9 N O -","- C36 H36 N4 O4 -","4","1","OA0024","Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru","Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides","Acta Crystallographica Section B","2000","56","4","682","689","10.1107/S0108768100002329","","","0.71073","MoKα","","","0.04","","","","0.121","","","","","","1.02","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102110","16.191","0.002","5.079","0.002","9.509","0.002","90","","93.37","0.02","90","","780.6","0.4","298","1","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H9 N O -","- C9 H9 N O -","- C36 H36 N4 O4 -","4","1","OA0024","Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru","Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides","Acta Crystallographica Section B","2000","56","4","682","689","10.1107/S0108768100002329","","","0.71073","MoKα","","","0.051","","","","0.16","","","","","","1.05","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2102167","11.929","0.0002","11.7639","0.0002","9.0612","0.0002","90","","103.95","0.001","90","","1234.07","0.04","150","2","150","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","5H, 10H-dithiolo[2,3-b][2,5]benzodithiocine-2-thione [low temperature (150 K) P monoclinic form]","","- C11 H8 S5 -","- C11 H8 S5 -","- C44 H32 S20 -","4","1","BM0027","Chohan, Zahid H.; Harrison, William T. A.; Howie, R. Alan; Milne, Bruce F.; Wardell, James L.","Crystallographic and molecular mechanics investigation of an order‒disorder transition and dimorphism in 5<i>H</i>,10<i>H</i>-dithiolo[2,3-<i>b</i>]-2,5-benzodithiocine-2-thione","Acta Crystallographica Section B","2000","56","6","1011","1017","10.1107/S0108768100010636","","","0.71073","MoKα","","0.0328","0.0278","","","0.0687","0.0712","","","","","","1.051","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102601","5.9663","0.0005","7.3989","0.0007","13.7221","0.0012","90","","99.12","0.002","90","","598.09","0.09","300","","300","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N-(4-chlorobenzylidene)-4-methylaniline","","- C14 H12 Cl N -","- C14 H12 Cl N -","- C28 H24 Cl2 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0781","0.0599","","","0.1746","0.1948","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102602","5.9174","0.0005","7.2879","0.0006","13.7049","0.00011","90","","99.233","0.002","90","","583.37","0.07","200","","200","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N-(4-chlorobenzylidene)-4-methylaniline","","- C14 H12 Cl N -","- C14 H12 Cl N -","- C28 H24 Cl2 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0604","0.053","","","0.1412","0.1477","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102603","5.8827","0.0006","7.1953","0.0007","13.6919","0.0014","90","","99.385","0.002","90","","571.79","0.1","90","","90","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N-(4-chlorobenzylidene)-4-methylaniline","","- C14 H12 Cl N -","- C14 H12 Cl N -","- C28 H24 Cl2 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0628","0.0591","","","0.1378","0.1414","","","","","","0.602","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102679","9.646","0.006","7.62","0.004","4.839","0.003","90","","90.14","0.05","90","","355.7","0.4","293","","293","1","","","","","","","datolite-hedenbergite scarn deposit, Tetyche, Sikhote-Alin mountains","5","P 1 21/a 1","-P 2yab","14","","","Datolite","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","AV5071","Ivanov, Yury; Belokoneva, Elena","Multipole refinement and electron density analysis in natural borosilicate datolite using X-ray diffraction data","Acta Crystallographica Section B","2007","63","1","49","55","10.1107/S0108768106041681","","","0.71069","MoKα","","","0.0138","","","","0.0194","","","","","","1.04","","","","has coordinates","282548","2023-04-10","20:38:56",""
"2102939","8.4716","0.0018","9.007","0.002","14.784","0.003","90","","100.881","0.004","90","","1107.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis(pentylammonium)tetraiodoplumbate(II)","","- C10 H28 I4 N2 Pb -","- C10 H28 I4 N2 Pb -","- C20 H56 I8 N4 Pb2 -","2","0.5","BS5044","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6","Acta Crystallographica Section B","2007","63","5","735","747","10.1107/S0108768107031758","","","0.71073","MoKα","","0.044","0.0376","","","0.1025","0.1051","","","","","","1.15","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102940","8.6716","0.0007","8.9297","0.0006","14.8805","0.0013","90","","100.212","0.002","90","","1134.01","0.16","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis(pentylammonium)tetraiodoplumbate(II)","","- C10 H28 I4 N2 Pb -","- C10 H28 I4 N2 Pb -","- C20 H56 I8 N4 Pb2 -","2","0.5","BS5044","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6","Acta Crystallographica Section B","2007","63","5","735","747","10.1107/S0108768107031758","","","0.71073","MoKα","","0.0562","0.0441","","","0.1111","0.1212","","","","","","1.069","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102942","8.643","0.004","8.845","0.004","16.052","0.007","90","","91.985","0.008","90","","1226.4","1","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis(hexylammonium)tetraiodoplumbate(II)","","- C12 H32 I4 N2 Pb -","- C12 H32 I4 N2 Pb -","- C24 H64 I8 N4 Pb2 -","2","0.5","BS5044","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6","Acta Crystallographica Section B","2007","63","5","735","747","10.1107/S0108768107031758","","","0.71073","MoKα","","0.0695","0.0589","","","0.139","0.1432","","","","","","1.206","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103298","23.818","0.003","9.451","0.0003","8.8553","0.0018","90","","94.842","0.013","90","","1986.2","0.5","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","[(3-chloropyridine) (2-cyanoethyl) cobaloxime] [(2-cyanoethyl)(3-bromopyridine) cobaloxime]","","- C16 H22 Br0.39 Cl0.61 Co N6 O4 -","- C16 H22 Br0.39 Cl0.61 Co N6 O4 -","- C64 H88 Br1.56 Cl2.44 Co4 N24 O16 -","4","1","TA0008","Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji","Modified photoreactivity due to mixed crystal formation. I. Three mixed crystals between isostructural cobaloxime complexes","Acta Crystallographica Section B","2002","58","2","227","232","10.1107/S0108768101019346","","","0.71073","MoKα","","0.0681","0.0555","","","0.1413","0.1494","","","","","","1.136","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103299","23.751","0.004","9.468","0.0012","8.8453","0.0014","90","","94.672","0.013","90","","1982.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","[(3-chloropyridine) (2-cyanoethyl) cobaloxime] [(2-cyanoethyl)(3-methylpyridine) cobaloxime]","","- C16.565 H23.695 Cl0.435 Co N6 O4 -","- C16.565 H23.695 Cl0.435 Co N6 O4 -","- C66.26 H94.78 Cl1.74 Co4 N24 O16 -","4","1","TA0008","Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji","Modified photoreactivity due to mixed crystal formation. I. Three mixed crystals between isostructural cobaloxime complexes","Acta Crystallographica Section B","2002","58","2","227","232","10.1107/S0108768101019346","","","0.71073","MoKα","","0.0403","0.0299","","","0.0855","0.0906","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2103300","23.7797","0.0011","9.5032","0.0005","8.8569","0.0004","90","","94.479","0.001","90","","1995.4","0.17","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","[(3-chloropyridine) (2-cyanoethyl) cobaloxime] [(2-cyanoethyl)(3-methylpyridine) cobaloxime]","","- C16.518 H19.572 Cl0.476 Co N6 O4 -","- C16.524 H19.572 Cl0.476 Co N6 O4 -","- C66.096 H78.288 Cl1.904 Co4 N24 O16 -","4","1","TA0008","Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji","Modified photoreactivity due to mixed crystal formation. I. Three mixed crystals between isostructural cobaloxime complexes","Acta Crystallographica Section B","2002","58","2","227","232","10.1107/S0108768101019346","","","0.71069","MoKα","","0.0635","0.049","","","0.1318","0.1391","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2103301","23.82","0.02","9.52","0.01","8.822","0.005","90","","94.73","0.06","90","","1994","3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","[(3-bromopyridine) (2-cyanoethyl) cobaloxime] [(2-cyanoethyl)(3-methylpyridine) cobaloxime]","","- C16.55 H23.64 Br0.45 Co N6 O4 -","- C16.546 H23.638 Br0.454 Co N6 O4 -","- C66.184 H94.552 Br1.816 Co4 N24 O16 -","4","1","TA0008","Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji","Modified photoreactivity due to mixed crystal formation. I. Three mixed crystals between isostructural cobaloxime complexes","Acta Crystallographica Section B","2002","58","2","227","232","10.1107/S0108768101019346","","","0.71069","MoKα","","0.078","0.057","","","0.161","0.1765","","","","","","1.095","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2103423","23.522","","5.459","","8.781","","90","","96.66","","90","","1119.93","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,2'-Bi-1H-imidazolium dipicrate","","- C18 H12 N10 O14 -","- C18 N10 O14 -","- C36 N20 O28 -","2","0.5","BM0053","Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe","Some errors from the crystallographic literature, some amplifications and a questionable result","Acta Crystallographica Section B","2002","58","5","884","892","10.1107/S0108768102010261","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103424","29.422","","12.304","","5.071","","90","","94.06","","90","","1831.14","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","{tris(2,2'-bi-1H-imidazole) bis(2-(2-1H-imidazolyl)-1H-imidazolium) bis(iodide)","","- C30 H32 I2 N20 -","- C30 I2 N20 -","- C60 I4 N40 -","2","0.5","BM0053","Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe","Some errors from the crystallographic literature, some amplifications and a questionable result","Acta Crystallographica Section B","2002","58","5","884","892","10.1107/S0108768102010261","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103680","7.1658","0.0012","14.105","0.002","7.5358","0.0014","90","","114.324","0.012","90","","694.1","0.2","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","diaquadinitratodipyrimidinecopper(II)","diaquadinitratodipyrimidinecopper(II)","","- C8 H12 Cu N6 O8 -","- C8 H12 Cu N6 O8 -","- C16 H24 Cu2 N12 O16 -","2","0.5","OA0034","Yasui, Masanori; Ishikawa, Yoshimitsu; Akiyama, Naoya; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko","Dipyrimidine‒copper(II) dinitrate complexes showing magnetic interactions","Acta Crystallographica Section B","2001","57","3","288","295","10.1107/S0108768101002737","","","0.71073","MoKα","","0.0603","0.0517","","","","0.148","","","","","","1.079","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103735","11.493","0.003","7.685","0.001","18.15","0.003","90","","91.49","0.02","90","","1602.5","0.5","213","","213","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","potassium [2.2]paracyclophane-4-sulfonate","","- C16 H19 K O5 S -","- C16 H19 K O5 S -","- C64 H76 K4 O20 S4 -","4","1","AN0584","De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk","Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides","Acta Crystallographica Section B","2001","57","6","780","790","10.1107/S0108768101013817","","","1.5418","CuKα","","0.086","0.086","","0.087","","0.087","","","1.362","","","1.362","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2103803","15.42","0.03","11.66","0.02","7.21","0.01","90","","97.31","0.04","90","","1286","4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Pyridinium hexachloro-antimony(v)","","- C5 H6 Cl6 N Sb -","- C5 Cl6 N Sb -","- C20 Cl24 N4 Sb4 -","4","1","AN0613","Clemente, Dore Augusto; Marzotto, Armando","22 Space-group changes","Acta Crystallographica Section B","2003","59","1","43","50","10.1107/S0108768102022668","","","0.71073","MoKα","","0.0614","0.0613","","","0.1668","0.1668","","","","","","1.345","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103921","34.1916","0.0002","5.5346","0.0001","14.0289","0.0001","90","","113.998","0.001","90","","2425.3","0.05","295","","295","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Lithium benzilate hemihydrate","","","- C14 H12 Li O3.5 -","- C14 H12 Li O3.5 -","- C112 H96 Li8 O28 -","8","2","WS0002","Mora, Asiloé J.; Fitch, Andrew N.; Ramirez, Belkis M.; Delgado, Gerzon E.; Brunelli, Michela; Wright, Jonathan","Structure of lithium benzilate hemihydrate solved by simulated annealing and difference Fourier synthesis from powder data","Acta Crystallographica Section B","2003","59","3","378","383","10.1107/S0108768103004634","","","0.80303","synchrotron","","","","","","","","","","","","","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2104397","8.425","0.0002","35.973","0.0008","9.0586","0.0002","90","","91.942","0.002","90","","2743.84","0.11","80","2","80","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C24 H18 Cl4 F6 Fe N4 O2 P -","- C24 H18 Cl4 F6 Fe N4 O2 P -","- C96 H72 Cl16 F24 Fe4 N16 O8 P4 -","4","1","OG5037","Collet, Eric; Boillot, Marie-Laure; Hebert, Johan; Moisan, Nicolas; Servol, Marina; Lorenc, Maciej; Toupet, Loïc; Buron-Le Cointe, Marylise; Tissot, Antoine; Sainton, Joelle","Polymorphism in the spin-crossover ferric complexes [(TPA)Fe^III^(TCC)]PF~6~","Acta Crystallographica Section B","2009","65","4","474","480","10.1107/S0108768109021508","","","0.71069","MoKα","","0.067","0.0537","","","0.104","0.1093","","","","","","1.196","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104399","8.6788","0.0006","37.001","0.002","9.2881","0.0005","90","","91.255","0.002","90","","2981.9","0.3","400","1","400","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C24 H18 Cl4 F6 Fe N4 O2 P -","- C24 H18 Cl4 F6 Fe N4 O2 P -","- C96 H72 Cl16 F24 Fe4 N16 O8 P4 -","4","1","OG5037","Collet, Eric; Boillot, Marie-Laure; Hebert, Johan; Moisan, Nicolas; Servol, Marina; Lorenc, Maciej; Toupet, Loïc; Buron-Le Cointe, Marylise; Tissot, Antoine; Sainton, Joelle","Polymorphism in the spin-crossover ferric complexes [(TPA)Fe^III^(TCC)]PF~6~","Acta Crystallographica Section B","2009","65","4","474","480","10.1107/S0108768109021508","","","0.71069","MoKα","","0.1882","0.0463","","","0.0998","0.1236","","","","","","0.712","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105131","9.473","","11.977","","3.2377","","90","","98.71","","90","","363.107","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1457","0.0868","","","0.1273","0.1312","","","","","","5.69","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105132","9.3887","","11.968","","3.196","","90","","97.93","","90","","355.681","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1295","0.0754","","","0.0866","0.0942","","","","","","4.61","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105133","9.3174","","11.9774","","3.1597","","90","","97.1782","","90","","349.853","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1242","0.0638","","","0.0674","0.0765","","","","","","3.32","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105134","9.2363","","11.9873","","3.1205","","90","","96.1667","","90","","343.497","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.117","0.0662","","","0.0714","0.0795","","","","","","3.77","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105135","9.1834","","12.0234","","3.0886","","90","","95.7294","","90","","339.326","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1024","0.074","","","0.0899","0.0912","","","","","","4.36","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105136","9.1142","","12.0534","","3.0574","","90","","95.0321","","90","","334.583","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1291","0.0796","","","0.0859","0.0942","","","","","","4.6","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105137","12.699","","9.039","","2.9943","","90","","107.18","","90","","328.369","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1917","0.1251","","","0.167","0.1713","","","","","","7.7","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105138","12.6665","","9.0153","","2.9827","","90","","107.13","","90","","325.492","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1581","0.0919","","","0.0928","0.1007","","","","","","4.41","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105139","12.6235","","8.9926","","2.9704","","90","","107.076","","90","","322.33","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.085","0.0677","","","0.079","0.0808","","","","","","4.55","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105140","12.582","","8.965","","2.9572","","90","","107.05","","90","","318.905","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1469","0.0988","","","0.126","0.1298","","","","","","6.16","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105141","9.2295","","12.0064","","3.1155","","90","","96.3516","","90","","343.119","","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C Cu2 O5 -","- C Cu2 O5 -","- C4 Cu8 O20 -","4","1","PS5017","Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei","Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect","Acta Crystallographica Section B","2012","68","3","266","274","10.1107/S0108768112011226","","","0.414","X-ray","","0.1226","0.0678","","","0.0769","0.0877","","","","","","4.2","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105439","11.3416","0.0003","9.0552","0.0003","11.803","0.0004","90","","109.413","0.002","90","","1143.26","0.06","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C7 H13 F3 N3 O2 P -","- C7 H13 F3 N3 O2 P -","- C28 H52 F12 N12 O8 P4 -","4","1","DK5007","Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid","Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database","Acta Crystallographica Section B","2013","69","2","184","194","10.1107/S0108768113002656","","","0.71073","MoKα","","0.0423","0.0359","","","0.0888","0.0936","","","","","","1.034","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105516","8.2121","0.0005","5.3401","0.0003","14.6014","0.0009","90","","99.962","0.007","90","","630.67","0.07","294","1","294","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4,4'-Biphenol‒1,2-diaminoethane (1/1)","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C28 H36 N4 O4 -","2","0.5","AB0381","Ferguson, G.; Glidewell, C.; Gregson, R. M.; Meehan, P. R.; Patterson, I. L. J.","Formation of One-Dimensional Chains, Two-Dimensional Bilayers and a Three-Dimensional Diamondoid Architecture in Hydrogen-Bonded Adducts of 4,4'-Biphenol with 1,4-Diazabicyclo[2.2.2]octane and 1,2-Diaminoethane","Acta Crystallographica Section B","1998","54","2","151","161","10.1107/S0108768197010148","","","0.7107","MoKα","","0.1035","0.0478","","0.1446","0.1297","","","","1.017","1.266","1.266","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105530","13.667","0.004","18.647","0.011","20.188","0.006","90","","90.72","0.02","90","","5144","4","243","2","243","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C58 H64 N2 O12 -","- C57.97 H44 N2 O11.99 -","- C231.88 H176 N8 O47.96 -","4","1","AN0547","Thuéry, Pierre; Nierlich, Martine; Calemczuk, Roberto; Saadioui, Mohamed; Asfari, Zouhair; Vicens, Jacques","Three conformational polymorphs and order‒disorder phase transition in a calix[4]arene bis(crown)","Acta Crystallographica Section B","1999","55","1","95","103","10.1107/S0108768198009252","","","0.71073","MoKα","","0.2004","0.1273","","0.385","0.3155","","","","1.105","1.363","1.363","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105531","20.341","0.006","11.709","0.003","23.875","0.008","90","","112.39","0.02","90","","5258","3","273","2","273","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C58 H64 N2 O12 -","- C58.06 H42 N2 O12.04 -","- C232.24 H168 N8 O48.16 -","4","1","AN0547","Thuéry, Pierre; Nierlich, Martine; Calemczuk, Roberto; Saadioui, Mohamed; Asfari, Zouhair; Vicens, Jacques","Three conformational polymorphs and order‒disorder phase transition in a calix[4]arene bis(crown)","Acta Crystallographica Section B","1999","55","1","95","103","10.1107/S0108768198009252","","","0.71073","MoKα","","0.1669","0.1074","","0.3669","0.28","","","","1.073","1.227","1.227","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105540","14.724","0.004","12.664","0.003","13.97","0.003","90","","115.38","0.03","90","","2353.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","N-anilinophthalimide (monoclinic)","1H-Isoindole-1,3-(2H)-dione, 2-aminophenyl (please check)","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","2","BK0046","Botoshansky, M.; Ellern, A.; Gasper, N.; Henck, J.-O.; Herbstein, F. H.","Structural, Thermodynamic and Kinetic (Hysteresis) Aspects of the Enantiotropic First-Order Phase Transformations of <i>N</i>-Anilinophthalimide and <i>N</i>-(<i>N</i>'-Methylanilino)phthalimide","Acta Crystallographica Section B","1998","54","3","277","290","10.1107/S0108768197012135","","","0.7107","MoKα","","0.0906","0.064","","0.1968","0.1734","","","","1.068","1.159","1.159","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105584","6.848","0.003","7.54","0.004","11.111","0.005","90","","106.01","0.005","90","","551.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C5 H6 O S -","- C5 H6 O S -","- C20 H24 O4 S4 -","4","1","HA0185","Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C.","Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents","Acta Crystallographica Section B","1999","55","6","963","974","10.1107/S0108768199003547","","","0.71073","MoKα","","0.0506","0.0433","","","","0.123","","","","","","1.15","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105602","9.493","0.001","13.061","0.003","10.305","0.001","90","","105.51","0.01","90","","1231.2","0.3","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-Phenylamino-5,5-dimethyl-2-cyclohexen-1-one","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","NA0080","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N-H···O Hydrogen Bonding Assisted by Resonance. II. Self Assembly of Hydrogen-Bonded Secondary Enaminones in Supramolecular Catemers","Acta Crystallographica Section B","1998","54","1","50","65","10.1107/S0108768197008677","","","0.71069","MoKα","","","0.04","","","","0.054","","","","","","2.14","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105610","7.075","0.002","13.332","0.002","15.03","0.002","90","","95.17","0.02","90","","1411.9","0.5","295","","295","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","3-(4-Chlorophenylamino)-5-phenyl-2-cyclopenten-1,4-dione","","- C17 H12 Cl N O2 -","- C17 H12 Cl N O2 -","- C68 H48 Cl4 N4 O8 -","4","1","NA0080","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N-H···O Hydrogen Bonding Assisted by Resonance. II. Self Assembly of Hydrogen-Bonded Secondary Enaminones in Supramolecular Catemers","Acta Crystallographica Section B","1998","54","1","50","65","10.1107/S0108768197008677","","","0.71069","MoKα","","","0.042","","","","0.047","","","","","","1.6","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105684","5.451","0.005","19.493","0.009","5.541","0.002","90","","100.2","0.06","90","","579.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Glycine Silver Nitrate","Glycine Silver Nitrate","","- C4 H10 Ag2 N4 O10 -","- C2 H5 Ag N2 O5 -","- C8 H20 Ag4 N8 O20 -","4","1","BP5051","Choudhury, R. R.; Chitra, R.; Aliouane, N.; Schefer, J.","Ferroelectric glycine silver nitrate: a single-crystal neutron diffraction study","Acta Crystallographica Section B","2013","69","6","595","602","10.1107/S2052519213024573","","neutron","1.1761","neutron","","0.166","0.1583","","","0.4049","0.4062","","","","","","2.169","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105937","11.3416","0.0003","9.0552","0.0003","11.803","0.0004","90","","109.413","0.002","90","","1143.26","0.06","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C7 H13 F3 N3 O2 P -","- C7 H13 F3 N3 O2 P -","- C28 H52 F12 N12 O8 P4 -","4","1","DK5007","Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid","Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database","Acta Crystallographica Section B","2013","69","2","184","194","10.1107/S2052519213002650","","","0.71073","MoKα","","0.0423","0.0359","","","0.0888","0.0936","","","","","","1.034","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106110","9.334","","12.628","","6.37","","90","","106.31","","90","","720.614","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N H4)2 Ni (H2 O)6 (Se O4)2","","- H20 N2 Ni O14 Se2 -","- H20 N2 Ni O14 Se2 -","- H40 N4 Ni2 O28 Se4 -","2","0.5","","Montgomery, H.","Diammonium nickel diselenate hexahydrate","Acta Crystallographica B (24,1968-38,1982)","1980","36","","440","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106194","12.887","","27.28","","15.219","","90","","126.2","","90","","4317.52","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Ca3 (P O4)2","","- Ca3 O8 P2 -","- Ca3 O8 P2 -","- Ca72 O192 P48 -","24","6","","Mathew, M.; Brown, W.E.; Schroeder, L.W.; Dickens, B.","The crystal structure of alpha-Ca3 (P O4)2","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1325","1333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2106239","8.311","","15.221","","6.22","","90","","105.85","","90","","756.925","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Cr2 P6 O18","","- Cr2 O18 P6 -","- Cr2 O18 P6 -","- Cr4 O36 P12 -","2","0.5","","Bagieu-Beucher, M.; Guitel, J.C.","Structure cristalline de l'hexametaphosphate de chrome. Cr2 P6 O18","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2529","2533","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2106542","21.382","","7.286","","9.52","","90","","97.96","","90","","1468.82","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ba2 Cu (P O3)6","","- Ba2 Cu O18 P6 -","- Ba2 Cu O18 P6 -","- Ba8 Cu4 O72 P24 -","4","1","","Laugt, M.; Guitel, J.C.","Structure cristalline du polyphosphate de baryum-cuivre Ba2 Cu (P O3)6","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1148","1153","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106620","7.3914","0.0002","11.6712","0.001","12.5913","0.0009","90","","91.455","0.004","90","","1085.86","0.12","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H10 Cl N O6 -","- C8 H10 Cl N O6 -","- C32 H40 Cl4 N4 O24 -","4","1","XK5021","Direm, Amani; Altomare, Angela; Moliterni, Anna; Benali-Cherif, Nourredine","Intermolecular interactions of proton transfer compounds: synthesis, crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section B","2015","71","4","","","10.1107/S2052520615011300","","","0.71073","MoKα","","0.0776","0.0561","","","0.1342","0.1477","","","","","","1.031","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2106720","13.732","","6.933","","7.152","","90","","93.35","","90","","679.735","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Bi (P O3)3","","- Bi O9 P3 -","- Bi O9 P3 -","- Bi4 O36 P12 -","4","1","","Palkina, K.; Jost, K.H.","Crystal structure of bismuth polyphosphate, Bi(P O3)3","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2281","2285","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106736","9.269","","12.5405","","6.1357","","90","","106.8","","90","","682.761","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Co (N H4)2 (Be F4)2 (H2 O)6","","- Be2 Co F8 H20 N2 O6 -","- Be2 Co F8 H20 N2 O6 -","- Be4 Co2 F16 H40 N4 O12 -","2","0.5","","Vicat, J.; Duc Tran Qui; Filhol, A.; Aleonard, S.; Roudaut, E.; Thomas, M.","Structure cristalline de l'orthofluoroberyllate Co (N H4)2 (Be F4)2 (H2 O)6 par diffraction neutronique","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1895","1903","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106904","9.21","","9.666","","8.57","","90","","90.56","","90","","762.898","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Sr (Ga2 Ge2 O8)","","- Ga2 Ge2 O8 Sr -","- Ga2 Ge2 O8 Sr -","- Ga8 Ge8 O32 Sr4 -","4","1","","Calleri, M.; Gazzoni, G.","The structures of (Sr, Ba) ( (Al, Ga)2 (Si, Ge)2 O8). III. The crystal structures of the paracelsian-like modifications of synthetic Sr Ga2 Ge2 O8 and Ba Ga2 Ge2 O8","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1196","1205","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106905","9.349","","9.903","","8.77","","90","","90.36","","90","","811.938","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ba (Ga2 Ge2 O8)","","- Ba Ga2 Ge2 O8 -","- Ba Ga2 Ge2 O8 -","- Ba4 Ga8 Ge8 O32 -","4","1","","Calleri, M.; Gazzoni, G.","The structures of (Sr, Ba) ( (Al, Ga)2 (Si, Ge)2 O8). III. The crystal structures of the paracelsian-like modifications of synthetic Sr Ga2 Ge2 O8 and Ba Ga2 Ge2 O8","Acta Crystallographica B (24,1968-38,1982)","1976","32","","1196","1205","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107006","14.02","","4.54","","10.28","","90","","101.5","","90","","641.194","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","K (P O3)","","- K O3 P -","- K O3 P -","- K8 O24 P8 -","8","2","","Jost, K.H.; Schulze, H.J.","Zur Phasentransformation des Kaliumpolyphosphates (K P O3)x","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1110","1118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107007","14.03","","4.54","","11.56","","90","","64.7","","90","","665.701","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","K (P O3)","","- K O3 P -","- K O3 P -","- K8 O24 P8 -","8","2","","Jost, K.H.; Schulze, H.J.","Zur Phasentransformation des Kaliumpolyphosphates (K P O3)x","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1110","1118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107074","8.227","","12.199","","5.4193","","90","","79.741","","90","","535.192","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Mn (S O3)","","- Mn O3 S -","- Mn O3 S -","- Mn8 O24 S8 -","8","2","","Magnusson, A.; Johansson, L.G.; Lindqvist, O.","The structure of manganese(II) sulfite","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1108","1110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107104","7.488","","9.03","","7.869","","90","","113.63","","90","","487.462","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Mg (N C S)2 (H2 O)4","","- C2 H8 Mg N2 O4 S2 -","- C2 H8 Mg N2 O4 S2 -","- C4 H16 Mg2 N4 O8 S4 -","2","0.5","","Mereiter, K.; Preisinger, A.","Structure of Magnesium Isothiocyanate Tetrahydrate","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1263","1265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107163","7.972","","13.03","","7.757","","90","","103.99","","90","","781.859","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","Tl4 S3","","- S3 Tl4 -","- S3 Tl4 -","- S12 Tl16 -","4","1","","Leclerc, B.; Bailly, M.","Structure cristalline du sulfure de thallium: Tl4 S3","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2334","2334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2107264","7.278","","8.856","","6.858","","90","","115.75","","90","","398.131","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ca Ti (Si O4) O","","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Kunz, M.; Armbruster, T.","Applications and limitations of the ionic potential model with empirically derived ion-specific repulsion parameters","Acta Crystallographica B (39,1983-)","1992","48","","609","622","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107351","28.98","","11.2","","6.11","","90","","92.55","","90","","1981.2","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","H3.33 (Fe0.33 Fe0.67 (C N)6) (H2 O)","","- C6 H5.33 Fe N6 O -","- C6 Fe N6 O -","- C36 Fe6 N36 O6 -","6","1.5","","Haser, R.; Penel, C.; Pierrot, M.","Etude structurale de la serie des hexacyanofarrates(II,III) d'hydrogene: H3+x (Fe(II)x Fe(III)1-x (C N)6)(H2 O)y. IV. La phase monocl. M: H3.33 Fe(II)0.33 Fe(III)0.67 (C N)6)(H2 O)2.66,...","Acta Crystallographica B (24,1968-38,1982)","1972","28","","2548","2554","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107464","11.91","0.005","19.682","0.008","25.516","0.009","90","","93.74","0.03","90","","5969","4","350","2","350","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","ammonium salt of 1,3-cyclic dihydroxyacetone phosphate dimethyl acetal","ammonium 5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphorinan-2-olate","","- C5 H14 N O6 P -","- C5 H14 N O6 P -","- C120 H336 N24 O144 P24 -","24","6","WF5120","Ślepokura, Katarzyna Anna","Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state","Acta Crystallographica Section B","2016","72","1","117","125","10.1107/S2052520615020259","","","0.71073","MoKα","","0.2248","0.077","","","0.1399","0.1771","","","","","","1.003","","","","has coordinates,has disorder","176607","2020-10-21","18:00:00",""
"2107466","11.39","0.004","6.862","0.002","12.216","0.005","90","","97.86","0.03","90","","945.8","0.6","205","2","205","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","ammonium salt of 1,3-cyclic dihydroxyacetone phosphate dimethyl acetal","ammonium 5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphorinan-2-olate","","- C5 H14 N O6 P -","- C5 H14 N O5.9999 P -","- C20 H56 N4 O23.9996 P4 -","4","1","","Ślepokura, Katarzyna Anna","Reversible <i>chair</i> {łeftrightarrow} <i>skew</i> conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state","Acta Crystallographica Section B","2016","72","1","117","125","10.1107/S2052520615020259","","","0.71073","MoKα","","0.0787","0.0396","","","0.1025","0.1139","","","","","","1.013","","","","has coordinates,has disorder","176607","2020-10-21","18:00:00",""
"2108143","9.34","","19.482","","8.634","","90","","115.13","","90","","1422.35","","","","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H38 N4 O4 S2 -","- C28 H38 N4 O4 S2 -","- C56 H76 N8 O8 S4 -","2","0.5","XF5001","Voufack, Ariste Bolivard; Claiser, Nicolas; Lecomte, Claude; Pillet, Sébastien; Pontillon, Yves; Gillon, Béatrice; Yan, Zeyin; Gillet, Jean-Michel; Marazzi, Marco; Genoni, Alessandro; Souhassou, Mohamed","When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical","Acta Crystallographica Section B","2017","73","4","544","549","10.1107/S2052520617008241","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates,has Fobs","199404","2020-10-21","18:00:00",""
"2108280","7.7154","0.0002","5.9019","0.0001","7.6969","0.0002","90","","100.411","0.002","90","","344.712","0.014","100","","100","","","","","","","","Sigma Aldrich","2","P 1 21/a 1","-P 2yab","14","","azulene","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","","Dittrich, B.; Fabbiani, F. P. A.; Henn, J.; Schmidt, M. U.; Macchi, P.; Meindl, K.; Spackman, M. A.","Azulene revisited: solid-state structure, invariom modeling and lattice-energy minimization of a classical example of disorder","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618010120","","","0.7107","MoKα","","0.0526","0.0428","","","","0.0275","","","","","","3.0429","","","","has coordinates,has Fobs","287891","2023-11-30","15:38:08",""
"2108365","8.2204","0.0015","10.898","0.002","26.905","0.005","90","","98.691","0.004","90","","2382.6","0.8","270","","270","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C17 H10 N2 -","- C17 H10 N2 -","- C136 H80 N16 -","8","2","","Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul","The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry","Acta Crystallographica Section B","2019","75","1","97","106","10.1107/S2052520618017341","","","0.71073","MoKα","","0.1679","0.0911","","","0.2233","0.2797","","","","","","1.056","","","","has coordinates,has Fobs","213457","2020-10-21","18:00:00",""
"2108466","14.3673","0.0006","16.6534","0.0009","6.3704","0.0003","90","","148.261","0.007","90","","801.81","0.17","300","","300","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","","Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold","From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619008461","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","217348","2020-10-21","18:00:00",""
"2108467","14.3673","0.0006","16.6534","0.0009","6.3704","0.0003","90","","148.261","0.007","90","","801.81","0.17","300","","300","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","","Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold","From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619008461","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","217348","2020-10-21","18:00:00",""
"2108468","14.3673","0.0006","16.6534","0.0009","6.3704","0.0003","90","","148.261","0.007","90","","801.81","0.17","300","","300","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","","Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold","From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619008461","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","217348","2020-10-21","18:00:00",""
"2109027","9.7872","0.001","8.4868","0.0005","7.407","0.007","90","","100.43","0.03","90","","605.1","0.6","298","2","298","2","0","","0","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","XK5096","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.1044","0.0567","","","0.1269","0.165","","","","","","1.093","","","","has coordinates,has Fobs","277573","2022-09-02","01:50:09",""
"2109028","9.7823","0.0009","8.4929","0.0005","7.412","0.007","90","","100.44","0.03","90","","605.6","0.6","298","2","298","2","10000","","10000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.098","0.0576","","","0.1321","0.1526","","","","","","1.059","","","","has coordinates,has Fobs","277573","2022-09-02","01:50:18",""
"2109029","9.7272","0.0009","8.4963","0.0005","7.332","0.007","90","","100.45","0.03","90","","595.9","0.6","298","2","298","2","360000","","360000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2.66667 H10.6667 N1.33333 O6.66667 P1.33333 -","- C8 H32 N4 O20 P4 -","3","0.75","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0847","0.0512","","","0.1126","0.1313","","","","","","1.058","","","","has coordinates,has Fobs","277573","2022-09-02","01:50:38",""
"2109030","9.6758","0.0008","8.4905","0.0004","7.306","0.005","90","","100.43","0.03","90","","590.3","0.4","293","2","293","2","510000","","510000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.1044","0.06","","","0.1358","0.1738","","","","","","1.078","","","","has coordinates,has Fobs","277573","2022-09-02","01:50:43",""
"2109031","9.6118","0.0008","8.4921","0.0004","7.251","0.005","90","","100.4","0.03","90","","582.1","0.4","293","2","293","2","880000","","880000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0926","0.0525","","","0.1197","0.1476","","","","","","1.078","","","","has coordinates,has Fobs","277573","2022-09-02","01:50:45",""
"2109032","9.5551","0.0009","8.501","0.0005","7.182","0.006","90","","100.35","0.03","90","","573.9","0.5","293","2","293","2","1210000","","1210000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0972","0.0576","","","0.1291","0.1568","","","","","","1.051","","","","has coordinates,has Fobs","277573","2022-09-02","01:50:51",""
"2109033","9.4961","0.0009","8.5028","0.0005","7.127","0.006","90","","100.38","0.03","90","","566","0.5","293","2","293","2","1630000","","1630000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0947","0.0554","","","0.1297","0.1607","","","","","","1.06","","","","has coordinates,has Fobs","277573","2022-09-02","01:51:08",""
"2109034","9.4462","0.001","8.5075","0.0006","7.057","0.007","90","","100.46","0.03","90","","557.7","0.6","293","2","293","2","1940000","","1940000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0912","0.0533","","","0.1289","0.1522","","","","","","1.094","","","","has coordinates,has Fobs","277573","2022-09-02","01:51:13",""
"2109035","9.3869","0.0008","8.5115","0.0004","6.98","0.005","90","","100.5","0.03","90","","548.3","0.4","293","2","293","2","","","2460000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2.66667 H10.6667 N1.33333 O6.66667 P1.33333 -","- C8 H32 N4 O20 P4 -","3","0.75","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0856","0.0511","","","0.1115","0.1325","","","","","","1.061","","","","has coordinates,has Fobs","277573","2022-09-02","01:51:27",""
"2109036","9.3265","0.0008","8.5118","0.0005","6.889","0.006","90","","100.68","0.03","90","","537.4","0.5","293","2","293","2","3080000","","3080000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0855","0.0536","","","0.1166","0.1417","","","","","","1.095","","","","has coordinates,has Fobs","277573","2022-09-02","01:51:39",""
"2109037","9.2779","0.0011","8.5031","0.0006","6.835","0.007","90","","100.76","0.04","90","","529.7","0.6","293","2","293","2","3600000","","3600000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0934","0.0558","","","0.1248","0.1444","","","","","","1.097","","","","has coordinates,has Fobs","277573","2022-09-02","01:52:04",""
"2109038","9.2492","0.001","8.5144","0.0006","6.769","0.006","90","","100.94","0.03","90","","523.4","0.5","293","2","293","2","4060000","","4060000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0946","0.0516","","","0.1142","0.1335","","","","","","1.037","","","","has coordinates,has Fobs","277573","2022-09-02","01:52:20",""
"2109039","9.2008","0.0008","8.5014","0.0005","6.745","0.005","90","","100.94","0.03","90","","518","0.4","293","2","293","2","4540000","","4540000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.117","0.0659","","","0.1507","0.1865","","","","","","1.154","","","","has coordinates,has Fobs","277573","2022-09-02","01:52:45",""
"2109040","9.1703","0.001","8.4987","0.0005","6.695","0.006","90","","101.01","0.03","90","","512.2","0.5","293","2","293","2","5000000","","5000000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0993","0.057","","","0.1252","0.149","","","","","","1.039","","","","has coordinates,has Fobs","277573","2022-09-02","01:53:03",""
"2109041","9.1302","0.0011","8.4972","0.0005","6.657","0.007","90","","101","0.04","90","","507","0.5","293","2","293","2","5520000","","5520000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.1194","0.0672","","","0.1435","0.1774","","","","","","1.053","","","","has coordinates,has Fobs","277573","2022-09-02","01:53:17",""
"2109042","9.1044","0.0014","8.4959","0.0008","6.628","0.009","90","","100.98","0.05","90","","503.3","0.7","293","2","293","2","6000000","","6000000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.1258","0.0714","","","0.1586","0.189","","","","","","1.079","","","","has coordinates,has Fobs","277573","2022-09-02","01:53:32",""
"2109043","9.07","0.0017","8.4856","0.0009","6.61","0.011","90","","100.98","0.06","90","","499.4","0.8","293","2","293","2","6520000","","6520000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.1422","0.0752","","","0.1739","0.2197","","","","","","1.074","","","","has coordinates,has Fobs","277573","2022-09-02","01:53:36",""
"2200019","11.609","0.005","18.907","0.005","9.878","0.005","90","","95.462","0.005","90","","2158.3","1.5","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C54 H56 N4 -","- C54 H56 N4 -","- C108 H112 N8 -","2","0.5","CF6002","Kubo, Kanji; Yamamoto, Emi; Sakurai, Tadamitsu; Mori, Akira","<i>N,N</i>',<i>N</i>'',<i>N</i>'''-Tetrakis(1-naphthylmethyl)-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section E","2001","57","1","o1","o3","10.1107/S1600536800017323","","","0.71073","MoKα","","0.29","0.052","","","","0.163","","","","","","0.87","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200021","7.9964","0.001","18.6031","0.001","10.9254","0.001","90","","101.274","0.005","90","","1593.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","6,7-dimethyl-3a,8a-dihydro-3H-8-oxa-cyclopenta[a]inden-5-yl benzoate","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","CF6004","Czugler, Mátyás; Bombicz, Petra","6,7-Dimethyl-3a,8a-dihydro-3<i>H</i>-8-oxacyclopenta[<i>a</i>]inden-5-yl benzoate","Acta Crystallographica Section E","2001","57","1","o37","o38","10.1107/S1600536800018821","","","0.7107","MoKα","","0.131","0.052","","","","0.158","","","","","","0.97","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200036","10.287","0.0014","10.729","0.002","13.1233","0.0013","90","","112.423","0.013","90","","1338.9","0.4","150","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C52 H76 N4 O16 -","4","1","CF6025","Coles, Simon J.; Hibbs, David E.; Hursthouse, Michael B","5-<i>tert</i>-Butylperoxy-5-(oxiran-2-yl)-1-(prop-2-ynyl)pyrrolidin-2-one","Acta Crystallographica Section E","2001","57","1","o66","o67","10.1107/S1600536800020018","","","0.71069","MoKα","","","0.04","","","","0.096","","","","","","0.91","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200122","17.174","0.005","7.38","0.005","11.393","0.005","90","","100.647","0.005","90","","1419.1","1.2","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H14 N2 S -","- C16 H14 N2 S -","- C64 H56 N8 S4 -","4","1","CF6037","Mori, Akira; Kubo, Kanji; Yin, Bing Zhu; Takeshita, Hitoshi","2-(7-Isopropyl-2-methylcyclohepta[<i>b</i>]thiophen-8-ylidene)propanedinitrile","Acta Crystallographica Section E","2001","57","2","o118","o119","10.1107/S1600536801001064","","","0.71073","MoKα","","0.172","0.052","","","","0.143","","","","","","0.994","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200141","19.457","0.002","6.442","0.001","24.619","0.001","90","","110.95","0.08","90","","2881.8","1.6","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4-(p-toluidinomethylene)-2-phenyl-2-oxazolin-5-one","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","2","CI6003","Vasuki, G.; Parthasarathi, V.; Ramamurthi, K.; Singh, R. M; Srivastava, Ambika","2-Phenyl-4-(<i>p</i>-toluidinomethylene)-5-oxazolone","Acta Crystallographica Section E","2001","57","2","o120","o121","10.1107/S160053680100109X","","","1.5418","CuKα","","0.05","0.044","","","","0.125","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200222","11.908","0.003","8.2396","0.0014","13.925","0.004","90","","103.14","0.03","90","","1330.5","0.6","180","2","180","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","2-(Toluene-4-sulfonylamino)benzoyl fluoride","","- C14 H12 F N O3 S -","- C14 H12 F N O3 S -","- C56 H48 F4 N4 O12 S4 -","4","1","TK6000","Ziemer, Burkhard; Surygina, Oxana; Ehwald, Max","2-(Toluene-4-sulfonylamino)benzoyl fluoride","Acta Crystallographica Section E","2001","57","2","o139","o140","10.1107/S1600536801001040","","","0.71073","MoKα","","0.037","0.03","","","","0.082","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200227","12.8585","0.0014","10.7092","0.0011","8.3657","0.0014","90","","103.052","0.011","90","","1122.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","1","TK6006","Kubo, Kanji; Tsuruta, Tetsuya; Mori, Akira","2-Butanoyloxy-5-nitrotropone","Acta Crystallographica Section E","2001","57","4","o326","o327","10.1107/S1600536801003749","","","0.71073","MoKα","","0.212","0.055","","","","0.168","","","","","","0.954","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200230","8.778","0.002","15.3778","0.0019","8.442","0.002","90","","113.59","0.018","90","","1044.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","TK6011","Kubo, Kanji; Tsujimoto, Teppei; Kato, Nobuo; Mori, Akira","2,3-Cyclohexanopyrrolo[2,3-<i>b</i>]tropone","Acta Crystallographica Section E","2001","57","4","o370","o371","10.1107/S1600536801005001","","","0.7107","MoKα","","0.257","0.062","","","","0.194","","","","","","0.939","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200247","7.6119","0.0005","8.846","0.0004","15.611","0.001","90","","101.321","0.005","90","","1030.71","0.11","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N-ethyldithiophthalimide","","- C10 H9 N S2 -","- C10 H9 N S2 -","- C40 H36 N4 S8 -","4","1","YA6008","Meden, Anton; Huskić, Miroslav; Bele, Marjan","<i>N</i>-Ethyldithiophthalimide, the first structure of a dithiophthalimide derivative","Acta Crystallographica Section E","2001","57","4","o303","o304","10.1107/S1600536801003828","","","0.71073","MoKα","","0.062","0.045","","0.055","","0.048","","","0.595","","","0.9","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200250","10.754","0.0004","13.9616","0.0005","8.9464","0.0004","90","","104.946","0.0012","90","","1297.8","0.09","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-Amino-5-hexyloxytropone","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C52 H76 N4 O8 -","4","1","YA6011","Yamamoto, Emi; Kubo, Kanji; Kato, Nobuo; Mori, Akira","2-Amino-5-hexyloxytropone","Acta Crystallographica Section E","2001","57","3","o279","o281","10.1107/S1600536801003294","","","0.71073","MoKα","","0.165","0.071","","","","0.244","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200271","9.139","0.002","11.083","0.002","16.411","0.003","90","","95.838","0.002","90","","1653.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N,N-dimethylphosphoramidic acid bis(4-nitrophenyl) ester","","- C14 H14 N3 O7 P -","- C14 H14 N3 O7 P -","- C56 H56 N12 O28 P4 -","4","1","BT6036","Gholivand, Khodayar; Tadjarodi, Azadeh; Taeb, Abbas; Garivani, Gholamhossein; Ng, Seik Weng","Bis(4-nitrophenyl) <i>N</i>,<i>N</i>-dimethylphosphoramidate","Acta Crystallographica Section E","2001","57","5","o472","o473","10.1107/S1600536801006766","","","0.71073","MoKα","","0.0989","0.0456","","","","0.1344","","","","","","0.922","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200318","11.425","0.003","5.542","0.003","12.95","0.004","90","","106.39","0.02","90","","786.6","0.5","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C36 H32 Cu2 N4 O8 -","2","0.5","NA6078","Okabe, Nobuo; Saishu, Hiroko","Bisaquabis(8-hydroxyquinolinato-<i>N</i>,<i>O</i>)copper(II)","Acta Crystallographica Section E","2001","57","6","m251","m252","10.1107/S1600536801008297","","","0.7107","MoKα","","","0.0327","","","","0.1109","","","","","","0.914","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200336","10.0838","0.0016","25.963","0.004","10.1696","0.0017","90","","95.641","0.014","90","","2649.6","0.7","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Tricarbonylchromium dihydroacenaphthylene complex","exo-(±)-Tricarbonyl(η^6^-1-hydroxy-1,2-dihydroacenaphthylene)chromium(0)","","- C15 H10 Cr O4 -","- C15 H10 Cr O4 -","- C120 H80 Cr8 O32 -","8","2","OM6017","Parvez, Masood; Simion, Dan V.; Sorensen, Ted S.","<i>exo</i>-(±)-Tricarbonyl(η^6^-1-hydroxy-1,2-dihydroacenaphthylene)chromium(0)","Acta Crystallographica Section E","2001","57","5","m204","m206","10.1107/S1600536801006304","","","0.71069","MoKα","","0.253","0.047","","","","0.161","","","","","","0.95","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200452","7.7046","0.0005","10.6062","0.0007","9.3384","0.0006","90","","95.033","0.002","90","","760.16","0.09","297","2","297","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-Aza-bicyclo[3.3.1]nonane-2,4-dione","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","1","CI6050","Howie, R. Alan; Skakle, Janet M. S.","3-Azabicyclo[3.3.1]nonane-2,4-dione: CSP2001 structure prediction test case No. 1","Acta Crystallographica Section E","2001","57","9","o822","o824","10.1107/S1600536801012818","","","0.71073","MoKα","","0.083","0.044","","","","0.123","","","","","","0.9","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200491","10.0991","0.0011","14.1486","0.0015","16.205","0.003","90","","100.85","0.01","90","","2274.1","0.6","298","2","298","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C23 H21 Cl3 Fe N2 O Pt -","- C23 H21 Cl3 Fe N2 O Pt -","- C92 H84 Cl12 Fe4 N8 O4 Pt4 -","4","1","NA6087","Blake, Alexander J.; Osborne, Anthony G.; Hollands, R. E.","Acetyl(2,2'-bipyridine)chloro(1,1'-dichloroferrocen-2-yl)methylplatinum(IV)","Acta Crystallographica Section E","2001","57","7","m313","m314","10.1107/S1600536801009862","","","0.71073","MoKα","","0.0936","0.0544","","","","0.135","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200508","14.446","0.003","3.963","0.001","17.807","0.007","90","","98.59","0.02","90","","1008","0.5","298","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H7 Br N2 O -","- C12 H7 Br N2 O -","- C48 H28 Br4 N8 O4 -","4","1","OB6057","Hökelek, Tuncer; Kılıç, Emine; Dinçer, Sebla","2-Bromobenzo[<i>c</i>]cinnoline 6-oxide","Acta Crystallographica Section E","2001","57","7","o645","o647","10.1107/S1600536801010236","","","0.71073","MoKα","","","0.058","","","","0.051","","","","","","1.12","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200534","13.7198","0.0001","15.3812","0.0002","13.8702","0.0002","90","","110.387","0.0005","90","","2743.64","0.06","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Dichloro[N,N'-bis(2,6-diisopropylphenyl)-1,2-ethanediimine-N,N']palladium","","- C26 H36 Cl2 N2 Pd -","- C26 H36 Cl2 N2 Pd -","- C104 H144 Cl8 N8 Pd4 -","4","1","TK6026","Comerlato, Nadia M.; Crossetti, Geraldo L.; Howie, R. Alan; Tibultino, Pollyanna C.D.; Wardell, James L.","Dichloro[<i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)-1,2-ethanediimine-<i>N</i>,<i>N</i>']palladium","Acta Crystallographica Section E","2001","57","7","m295","m297","10.1107/S1600536801008704","","","0.71073","MoKα","","0.037","0.029","","","","0.075","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200537","11.821","0.002","10.7618","0.0018","6.3146","0.0011","90","","101.86","0.014","90","","786.2","0.2","295","2","295","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","Racemic 6-exo-hydroxybicyclo[2.2.1]heptane-2-exo-carboxylic acid","Racemic 6-exo-hydroxybicyclo[2.2.1]heptane-2-exo-carboxylic acid","","- C8 H12 O3 -","- C8 H12 O3 -","- C32 H48 O12 -","4","1","TK6030","Smith, Graham; Bott, Raymond C.; Jenkins, Ian D.; Wermuth, Urs D.","Racemic 6-<i>exo</i>-hydroxybicyclo[2.2.1]heptane-2-<i>exo</i>-carboxylic acid","Acta Crystallographica Section E","2001","57","8","o788","o789","10.1107/S1600536801012223","","","0.71069","MoKα","","0.076","0.043","","","","0.132","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200571","10.096","0.001","26.316","0.002","16.927","0.002","90","","90.07","0.002","90","","4497.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","7-chloro-2-methyl-3-methylamino-2H-1,2,4-benzothiadiazine 1,1-dioxide","","- C9 H10 Cl N3 O2 S -","- C9 H10 Cl N3 O2 S -","- C144 H160 Cl16 N48 O32 S16 -","16","4","YA6037","Dupont, Léon; Somers, Fabian; Boverie, Stéphane; Pirotte, Bernard; Tinant, Bernard; de Tullio, Pascal","7-Chloro-2-methyl-3-methylamino-2<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide","Acta Crystallographica Section E","2001","57","7","o652","o654","10.1107/S1600536801010248","","","0.71069","MoKα","","0.044","0.036","","","","0.106","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200606","8.733","0.0002","5.871","0.0003","15.307","0.0006","90","","90.535","0.001","90","","784.78","0.05","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N,N'-bis(salicylidene)-1,4,butanediamine","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","0.5","CF6103","Kennedy, Alan R.; Reglinski, John","<i>N</i>,<i>N</i>'-Bis(salicylidene)-1-4-butanediamine","Acta Crystallographica Section E","2001","57","11","o1027","o1028","10.1107/S1600536801016269","","","0.71073","MoKα","","0.1181","0.0626","","0.1351","0.1058","","","","1.194","1.231","1.231","","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200607","7.287","0.007","10.725","0.009","7.452","0.008","90","","90.37","0.09","90","","582.4","1","5","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","2,6DMP","2,6 dimethylpyrazine","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","CF6104","Kaiser-Morris, Erika; Nicolaï, Beatrice; Cousson, Alain; Paulus, Werner; Fillaux, Francois","2,6-Dimethylpyrazine at 5K: a neutron-diffraction study","Acta Crystallographica Section E","2001","57","11","o1116","o1117","10.1107/S1600536801017846","","neutron","0.8308","Neutron","","","0.0323","","","","0.016","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200608","7.288","0.005","10.73","0.01","7.444","0.007","90","","90.1","0.08","90","","582.1","0.9","20","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","2,6DMP","2,6-dimethylpyrazine","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","CF6105","Kaiser-Morris, Erika; Nicolaï, Beatrice; Cousson, Alain; Paulus, Werner; Fillaux, Francois","2,6-Dimethylpyrazine at 20K: a neutron-diffraction study","Acta Crystallographica Section E","2001","57","11","o1113","o1115","10.1107/S1600536801017834","","neutron","0.8308","Neutron","","","0.0311","","","","0.0186","","","","","","1.0328","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200815","11.994","0.003","11.131","0.002","11.384","0.009","90","","109.31","0.08","90","","1434.3","1.4","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- H30 Mo6 N4 Ni O28 -","- Mo6 N4 Ni O28 -","- Mo12 N8 Ni2 O56 -","2","0.5","BR6038","Lee, Uk; Joo, Hea-Chung; Kwon, Jae-Sam","Tetraammonium hexahydrogen hexamolybdonickelate(II) tetrahydrate, (NH~4~)~4~[H~6~NiMo~6~O~24~]·4H~2~O","Acta Crystallographica Section E","2002","58","1","i6","i8","10.1107/S1600536801021109","","","0.71069","MoKα","","0.0813","0.0526","","","0.117","0.1371","","","","","","1.128","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200942","7.6548","0.0002","15.7782","0.0004","10.9114","0.0004","90","","95.299","0.001","90","","1312.24","0.07","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2,3,5-Trichloro-6-(2-diethylaminovinyl)-1,4-benzoquinone","","- C12 H12 Cl3 N O2 -","- C12 H12 Cl3 N O2 -","- C48 H48 Cl12 N4 O8 -","4","1","NA6139","Krivokapic, Alexander; Anderson, Harry L.","2,3,5-Trichloro-6-(2-diethylaminovinyl)-1,4-benzoquinone","Acta Crystallographica Section E","2002","58","3","o259","o260","10.1107/S1600536802002283","","","0.71073","MoKα","","","0.0256","","","","0.0286","","","","","","1.0234","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200973","14.766","0.005","11.214","0.004","12.089","0.004","90","","102.51","0.03","90","","1954.2","1.2","295","","295","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,1-Dibenzyl-6-methoxy-3,4-dihydro-1H-naphthalen-2-one","","- C25 H24 O2 -","- C25 H24 O2 -","- C100 H96 O8 -","4","1","TK6050","Christopher L. Brown; Sarah J. Head; Peter C. Healy","1,1-Dibenzyl-6-methoxy-3,4-dihydro-1<i>H</i>-naphthalen-2-one","Acta Crystallographica Section E","2002","58","2","o178","o179","10.1107/S1600536802000715","","","0.71069","MoKα","","0.105","0.052","","","0.146","0.174","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201040","13.037","0.004","11.003","0.003","14.851","0.003","90","","100.12","0.02","90","","2097.2","1","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H21 La N2 O13 -","- C16 H21 La N2 O13 -","- C64 H84 La4 N8 O52 -","4","1","BT6140","Okabe, Nobuo; Hasuyo Kyoyama","A polynuclear lanthanum(III) complex of dipicolinic acid","Acta Crystallographica Section E","2002","58","5","m226","m227","10.1107/S1600536802007596","","","0.7107","MoKα","","","0.0309","","","","0.1086","","","","","","0.8","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2201056","21.0704","0.0002","8.6065","0.0001","23.6443","0.0003","90","","112.459","0.0006","90","","3962.5","0.08","200","","200","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C43 H62 O P2 Pd -","- C43 H62 O P2 Pd -","- C172 H248 O4 P8 Pd4 -","4","1","CF6163","Willis, Anthony C.; Retbøll, Mikael K.; Wenger, Eric","A palladium(0) complex of dibenzylideneacetone and a chelating diphosphine","Acta Crystallographica Section E","2002","58","6","m275","m277","10.1107/S1600536802008140","","","0.7107","MoKα","","0.0545","0.0404","","0.0515","","0.0485","","","1.95","","","1.97","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2201104","14.121","0.015","5.245","0.002","17.384","0.015","90","","108.99","0.11","90","","1217.5","1.9","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","thiabendazolium perchlorate","","","- C10 H8 Cl N3 O4 S -","- C10 H8 Cl N3 O4 S -","- C40 H32 Cl4 N12 O16 S4 -","4","1","CV6094","Stanley, Nithianantham; Panneerselvam, Pathus; Thomas Muthiah, Packianathan","A hydrogen-bonded supramolecular chain in thiabendazolium perchlorate","Acta Crystallographica Section E","2002","58","4","o426","o428","10.1107/S1600536802004397","","","0.71073","MoKα","","0.104","0.0679","","","0.1565","0.1816","","","","","","1.223","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201143","14.713","0.003","19.54","0.006","13.413","0.004","90","","101.74","0.02","90","","3775.5","1.8","297","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C45 H32 Cl2 Co N5 O3 -","- C45 H32 Cl2 Co N5 O3 -","- C180 H128 Cl8 Co4 N20 O12 -","4","1","NA6151","Ohba, Shigeru; Seki, Hiroshi","Aquanitro(α,β,γ,δ-tetraphenylporphyrinato)cobalt(III) dichloromethane solvate","Acta Crystallographica Section E","2002","58","5","m169","m171","10.1107/S1600536802005524","","","0.7107","MoKα","","","0.0894","","","","0.3167","","","","","","1.036","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2201149","24.449","0.002","5.2431","0.0005","12.6633","0.0009","90","","91.714","0.006","90","","1622.6","0.2","250","1","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","NA6157","Ohba, Shigeru; Ito, Yoshikatsu","<i>N</i>-[2-(3,4-Dimethoxyphenyl)ethyl]-3-phenylacrylamide","Acta Crystallographica Section E","2002","58","5","o517","o518","10.1107/S1600536802006360","","","1.5418","CuKα","","","0.056","","","","0.156","","","","","","1.26","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201219","8.219","0.004","16.203","0.007","12.991","0.006","90","","105.19","0.01","90","","1669.6","1.3","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Hexakis(imidazole-N)cobalt(II) 1,4-benzenedicarboxylate tetrahydrate","","- C26 H36 Co N12 O8 -","- C26 H36 Co N12 O8 -","- C52 H72 Co2 N24 O16 -","2","0.5","YA6096","Tong, Ming-Liang; Li, Wei; Chen, Xiao-Ming; Ng, Seik Weng","Hexakis(imidazole-<i>N</i>)cobalt(II) 1,4-benzenedicarboxylate tetrahydrate","Acta Crystallographica Section E","2002","58","5","m186","m188","10.1107/S1600536802005925","","","0.71073","MoKα","","0.086","0.058","","","0.157","0.179","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201273","9.201","0.001","10.0035","0.0006","11.195","0.002","90","","113.73","0.01","90","","943.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","DL-valinium dihydrogen phosphate","DL-valinium dihydrogen phosphate","","- C5 H14 N O6 P -","- C5 H14 N O6 P -","- C20 H56 N4 O24 P4 -","4","1","BT6161","Ravikumar, Bagavath Singh; Sridhar, Balasubramanian; Rajaram, Ramaswamy Karunanandam","<small>DL</small>-Valinium dihydrogen phosphate","Acta Crystallographica Section E","2002","58","8","o879","o881","10.1107/S1600536802012011","","","0.71073","MoKα","","0.0395","0.0279","","","0.0734","0.0789","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201278","14.8002","0.0015","7.4029","0.0016","16.0091","0.0016","90","","96.395","0.008","90","","1743.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","3,5-Dinitrosalicylic acid‒phenazine (1/1)","3,5-Dinitrosalicylic acid‒phenazine (1/1)","","- C19 H12 N4 O7 -","- C19 H12 N4 O7 -","- C76 H48 N16 O28 -","4","1","BT6166","V. S. Senthil Kumar; Srinivasan S. Kuduva; Gautam R. Desiraju","3,5-Dinitrosalicylic acid-phenazine (1/1)","Acta Crystallographica Section E","2002","58","8","o865","o866","10.1107/S1600536802012473","","","0.71073","MoKα","","0.1521","0.0587","","","0.112","0.1319","","","","","","0.916","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201330","12.983","0.004","11.231","0.003","14.151","0.004","90","","101.76","0.02","90","","2020.1","1","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H19 Ce N2 O14 -","- C14 H19 Ce N2 O14 -","- C56 H76 Ce4 N8 O56 -","4","1","CF6187","Okabe, Nobuo; Hasuyo Kyoyama; Ayumi Fujimoto","A polymeric cerium(III) complex of dipicolinic acid","Acta Crystallographica Section E","2002","58","7","m354","m356","10.1107/S1600536802010826","","","0.7107","MoKα","","","0.0547","","","","0.243","","","","","","1.458","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2201431","10.38","0.002","19.091","0.003","9.947","0.002","90","","112.17","0.02","90","","1825.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Trimethoprim trifluoroacetate","2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidinium trifluoroacetate","","- C16 H19 F3 N4 O5 -","- C16 H19 F3 N4 O5 -","- C64 H76 F12 N16 O20 -","4","1","CV6116","Savarimuthu Francis; Packianathan Thomas Muthiah; Gabriele Bocelli; Lara Righi","Hydrogen-bonding patterns in trimethoprim trifluoroacetate","Acta Crystallographica Section E","2002","58","7","o717","o719","10.1107/S1600536802009509","","","0.71069","MoKα","","0.1198","0.059","","","0.1645","0.1879","","","","","","0.972","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201541","19.9938","0.0005","11.7063","0.0004","27.1914","0.0009","90","","111.514","0.0013","90","","5920.8","0.3","200","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C71 H71 Ni P4 -","- C56 H56 Ni P4 -","- C224 H224 Ni4 P16 -","4","1","OB6135","Alison J. Edwards; Mikael Retbøll; Eric Wenger","The tetrahedral tetrakis(phosphine) complex [bis(diphenylphosphino)butane-κ<i>P,P</i>]nickel(0)‒benzene (1/2.5)","Acta Crystallographica Section E","2002","58","7","m375","m377","10.1107/S1600536802011121","","","0.71073","MoKα","","","0.0586","","","","0.0649","","","","","","1.0308","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201580","8.6057","0.0011","16.11","0.001","8.9967","0.0011","90","","115.557","0.005","90","","1125.2","0.2","93.1","","93.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","propane-2-one 6-chloro-2,4-dinitrophenylhydrazone","","- C9 H9 Cl N4 O4 -","- C9 H9 Cl N4 O4 -","- C36 H36 Cl4 N16 O16 -","4","1","OB6175","Yasushi Kawai; Motoko Hayashi; Norihiro Tokitoh","Propanone 2-chloro-4,6-dinitrophenylhydrazone","Acta Crystallographica Section E","2002","58","10","o1098","o1099","10.1107/S1600536802016483","","","0.7107","MoKα","","","0.03","","","","0.103","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201646","8.7935","0.0011","9.3913","0.0011","14.6428","0.0018","90","","100.093","0.002","90","","1190.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Bis(1-phenylethylammonium)Tetraiodoplumbate(II)","","- C16 H24 I4 N2 Pb -","- C16 H24 I4 N2 Pb -","- C32 H48 I8 N4 Pb2 -","2","0.5","TK6084","Billing, David G.","Bis(1-phenylethylammonium) tetraiodoplumbate(II)","Acta Crystallographica Section E","2002","58","11","m669","m671","10.1107/S1600536802019025","","","0.71073","MoKα","","0.03","0.024","","","0.055","0.057","","","","","","1.05","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2201887","12.6447","0.0002","7.7044","0.0001","13.5573","0.0001","90","","92.103","0.001","90","","1319.86","0.03","295","2","295","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","2-(5,7-Dihydroxy-4-oxo-4H-chromen-3-yl)-5-methoxy-1,4-benzoquinone","","- C16 H10 O7 -","- C16 H10 O7 -","- C64 H40 O28 -","4","1","CI6202","Aree, Thammarat; Tip-pyang, Santi; Seesukphronrarak, Surasak; Chaichit, Narongsak","2-(5,7-Dihydroxy-4-oxo-4<i>H</i>-chromen-3-yl)-5-methoxy-1,4-benzoquinone (isoflavonequinone)","Acta Crystallographica Section E","2003","59","3","o363","o365","10.1107/S1600536803003684","","","0.71073","MoKα","","0.0588","0.043","","","0.1141","0.1254","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202089","11.138","0.006","8.102","0.002","13.307","0.002","90","","91.82","0.02","90","","1200.2","0.7","170","2","170","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","trans-2,3-bis(methylsulfonyl)indane","trans-2,3-bis(methylsulfonyl)indane","","- C11 H14 O4 S2 -","- C11 H14 O4 S2 -","- C44 H56 O16 S8 -","4","1","NA6230","Parvez, Masood; Clark, Peter D.; Primak, Alex","<i>trans</i>-2,3-Bis(methylsulfonyl)indane","Acta Crystallographica Section E","2003","59","6","o783","o785","10.1107/S1600536803009504","","","0.71069","MoKα","","0.151","0.042","","","0.1","0.134","","","","","","0.98","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202102","7.509","0.001","26.634","0.002","7.854","0.001","90","","117.34","0.01","90","","1395.3","0.3","180","2","180","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-[3,5-bis(trifluoromethyl)benzene]-salicylaldimine","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","1","OB6204","Karadayı, Nevzat; Gözüyes̨il, Sanem; Güzel, Bilgehan; Büyükgüngör, Orhan","<i>N</i>-[3,5-Bis(trifluoromethyl)phenyl]salicylaldimine","Acta Crystallographica Section E","2003","59","2","o161","o163","10.1107/S1600536803000722","","","0.71073","MoKα","","0.1209","0.0631","","","0.1507","0.1912","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202217","7.213","0.0014","29.196","0.004","7.887","0.0016","90","","116.14","0.005","90","","1491","0.5","180","2","180","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-[3,5-bis(trifluoromethyl)phenyl]-3-methoxysalicylaldimine","","- C16 H11 F6 N O2 -","- C16 H11 F6 N O2 -","- C64 H44 F24 N4 O8 -","4","1","WN6153","Karadayı, Nevzat; Gözüyes̨il, Sanem; Güzel, Bilgehan; Kazak ,Canan; Büyükgüngör, Orhan","<i>N</i>-[3,5-Bis(trifluoromethyl)phenyl]-3-methoxysalicylaldimine","Acta Crystallographica Section E","2003","59","6","o851","o853","10.1107/S1600536803010730","","","0.71073","MoKα","","0.0956","0.0695","","","0.1732","0.1949","","","","","","1.125","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202222","10.0106","0.0009","10.228","0.0006","12.1627","0.0007","90","","95.763","0.006","90","","1239.03","0.15","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N-Hydroxy-2-oxo-2,N'-diphenylacetamidine","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","WN6162","Büyükgüngör, Orhan; Hökelek, Tuncer; Taş, Murat; Batı, Hümeyra","<i>N</i>-Hydroxy-2-oxo-2,<i>N</i>'-diphenylacetamidine","Acta Crystallographica Section E","2003","59","6","o883","o885","10.1107/S1600536803010882","","","0.71073","MoKα","","0.0566","0.0337","","","0.0835","0.0881","","","","","","0.807","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202297","12.274","0.002","13.169","0.003","9.754","0.002","90","","108.64","0.03","90","","1493.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","ferrous iron hydroxide phosphate, mineral name: wolfeite","diiron(II) hydroxide phosphate","","- Fe1.84 H Mg0.16 O5 P -","- Fe1.83918 H Mg0.160825 O5 P -","- Fe29.4268 H16 Mg2.5732 O80 P16 -","16","4","BR6111","Kolitsch, Uwe","Mg-rich wolfeite, (Fe^II^,Mg)~2~(PO~4~)(OH): structure refinement and Raman spectroscopic data","Acta Crystallographica Section E","2003","59","9","i125","i128","10.1107/S1600536803017537","","","0.71073","MoKα","","0.0326","0.0215","","","0.0608","0.0653","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202396","8.5516","0.0015","10.2077","0.0017","9.392","0.003","90","","91.64","0.02","90","","819.5","0.3","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C6 H8 N2 O5 -","- C6 H8 N2 O5 -","- C24 H32 N8 O20 -","4","1","BT6367","Takeo Fukunaga; Hiroyuki Ishida","Imidazolium hydrogen tartronate","Acta Crystallographica Section E","2003","59","12","o1869","o1871","10.1107/S1600536803024723","","","0.71073","MoKα","","0.066","0.065","","0.12","","0.12","","","1.01","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202490","9.878","0.0009","5.64","0.002","15.448","0.002","90","","105.844","0.003","90","","827.9","0.3","288","2","288","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","N-Carboxy-DL-leucine anhydride","4-isobutyl-1,3-oxazolidine-2,5-dione","","- C7 H11 N O3 -","- C7 H11 N O3 -","- C28 H44 N4 O12 -","4","1","CI6257","Kanazawa, Hitoshi","<i>N</i>-Carboxy-<small>DL</small>-leucine anhydride","Acta Crystallographica Section E","2003","59","9","o1309","o1311","10.1107/S1600536803017185","","","0.7107","MoKα","","0.054","0.048","","","0.152","0.159","","","","","","1.167","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202707","8.4711","0.0008","13.4082","0.0008","11.8736","0.0011","90","","99.056","0.008","90","","1331.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4-(2-indanoxy)phthalonitrile","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C68 H48 N8 O4 -","4","1","LH6110","Işık, Şamil; Köysal, Yavuz; Akdemir, Nesuhi; Cihan, Kantar; Ag̃ar, Erbil","4-(2-Indanoxy)phthalonitrile","Acta Crystallographica Section E","2003","59","10","o1481","o1482","10.1107/S1600536803019755","","","0.71073","MoKα","","0.0932","0.0491","","","0.1199","0.1283","","","","","","0.639","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202828","8.436","0.003","11.857","0.004","8.352","0.003","90","","113.96","0.03","90","","763.4","0.5","297.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H20 Cl2 Cu N4 O8 -","- C6 H20 Cl2 Cu N4 O8 -","- C12 H40 Cl4 Cu2 N8 O16 -","2","0.5","OB6313","Akitsu, Takashiro; Einaga, Yasuaki","A redetermination of bis(<i>N</i>-methylethylenediamine-κ^2^<i>N,N</i>')bis(perchlorato-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2003","59","11","m991","m993","10.1107/S160053680302213X","","","0.7107","MoKα","","","0.0241","","","","0.0676","","","","","","1.075","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2202992","9.286","0.0001","19.433","0.0003","13.698","0.0002","90","","104.238","0.001","90","","2395.94","0.06","150","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C52 H70 N2 P2 Pt -","- C52 H70 N2 P2 Pt -","- C104 H140 N4 P4 Pt2 -","2","0.5","WW6109","Khan, Muhammad S.; Al-Saadi, Rahma K. M.; Male, Louise; Raithby, Paul R.; Bjernemose, Jens","<i>trans</i>-Bis(carbazol-3-ylethynyl)bis(tri-<i>n</i>-butylphosphine)platinum(II)","Acta Crystallographica Section E","2003","59","9","m774","m776","10.1107/S1600536803017872","","","0.71073","MoKα","","","0.0243","","","","0.0615","","","","","","1.034","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202996","22.329","0.002","6.9918","0.0019","11.3456","0.0008","90","","92.646","0.007","90","","1769.4","0.5","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","guanidinium 8-hydroxy-7-iodoquinoline-5-sulfonate hydrate","","","- C11 H18 I N7 O5 S -","- C11 H18 I N7 O5 S -","- C44 H72 I4 N28 O20 S4 -","4","1","WW6113","Smith, Graham; Wermuth, Urs D.; Healy, Peter C.","Guanidinium 8-hydroxy-7-iodoquinoline-5-sulfonate monohydrate","Acta Crystallographica Section E","2003","59","10","o1455","o1457","10.1107/S1600536803019275","","","0.7107","MoKα","","0.0408","0.0336","","","0.0911","0.0954","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203038","10.676","0.002","6.716","0.001","12.812","0.002","90","","103.77","0.01","90","","892.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","tetrasodium pentanickel arsenic-phosphorus (2.67/3.35) twentytwooxide","","- As2.64 Na4 Ni5 O22 P3.36 -","- As2.64 Na4 Ni5 O22 P3.36 -","- As5.28 Na8 Ni10 O44 P6.72 -","2","0.5","BR6129","Ben Smail, Ridha; Jouini, Tahar","Na~4~Ni~5~[(As~1{-~<i>x</i>}P~<i>x~</i>)O~4~]~2~[(As~2<i>y~</i>P~2{-~2<i>y</i>})O~7~]~2~ (<i>x</i> = 0.27 and <i>y</i> = 0.295)","Acta Crystallographica Section E","2004","60","1","i1","i2","10.1107/S1600536803027375","","","0.71073","MoKα","","0.0325","0.0241","","","0.0622","0.0652","","","","","","1.095","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203195","7.4924","0.0005","10.4589","0.0007","12.1369","0.0008","90","","107.393","0.001","90","","907.59","0.1","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Tetraaquabis(4-pyridylthioactetato)nickel(II)","","- C14 H20 N2 Ni O8 S2 -","- C14 H20 N2 Ni O8 S2 -","- C28 H40 N4 Ni2 O16 S4 -","2","0.5","HG6016","Zhang, Xian-Ming; Fang, Rui-Qin; Wu, Hai-Shun; Ng, Seik Weng","Tetraaquabis(4-pyridylthioacetato)nickel(II)","Acta Crystallographica Section E","2004","60","2","m135","m136","10.1107/S1600536803029039","","","0.71073","MoKα","","0.029","0.026","","","0.07","0.072","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203296","7.4661","0.0003","25.951","0.001","8.2342","0.0003","90","","92.604","0.001","90","","1593.75","0.11","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tetra-μ-acetato-bis[aquacopper(II)]‒4,5-diazafluoren-9-one (1/2)","","- C30 H28 Cu2 N4 O12 -","- C30 H28 Cu2 N4 O12 -","- C60 H56 Cu4 N8 O24 -","2","0.5","FL6082","Zhao, Jian-She; Zhang, Rong-Lan; Yang, Shi-Yao; Ng, Seik Weng","Tetra-μ-acetato-bis[aquacopper(II)]‒4,5-diazafluoren-9-one (1/2)","Acta Crystallographica Section E","2004","60","3","m264","m266","10.1107/S1600536804001898","","","0.71073","MoKα","","0.065","0.05","","","0.108","0.114","","","","","","1.12","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203355","12.646","0.002","10.518","0.001","12.904","0.002","90","","98.703","0.002","90","","1696.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-[2-(N,N-Diethylamino)glyoxyloyl]-1H-indol-4-yl acetate monohydrate","","- C16 H20 N2 O5 -","- C16 H20 N2 O5 -","- C64 H80 N8 O20 -","4","1","WK6010","Wu, Hai-Qiang; Zhou, Jin-Lin; Huang, Zhi-Shu; Gu, Lian-Quan; Ng, Seik Weng","3-[2-(<i>N</i>,<i>N</i>-Diethylamino)glyoxyloyl]-1<i>H</i>-indol-4-yl acetate monohydrate","Acta Crystallographica Section E","2004","60","3","o337","o338","10.1107/S1600536804002211","","","0.71073","MoKα","","0.0526","0.0404","","","0.1164","0.1279","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203398","11.601","0.003","12.409","0.002","12.664","0.004","90","","115.501","0.018","90","","1645.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1-Dimethylamino-3-dimethyliminio-1-(p-methylphenyl)prop-1-ene perchlorate","","- C14 H21 Cl N2 O4 -","- C14 H21 Cl N2 O4 -","- C56 H84 Cl4 N8 O16 -","4","1","CI6343","Girija, C. R.; Noor Shahina Begum; Sridhar, M. A.; Lokanath, N. K.; Prasad, J. S.","1-Dimethylamino-3-dimethyliminio-1-(<i>p</i>-methylphenyl)prop-1-ene perchlorate","Acta Crystallographica Section E","2004","60","4","o589","o591","10.1107/S1600536804005574","","","0.71069","MoKa","","0.1243","0.0751","","","0.2207","0.2718","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203472","7.481","0.001","10.453","0.002","12.123","0.002","90","","107.435","0.002","90","","904.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Tetraaquabis(4-pyridylthioactetato)copper(II)","","- C14 H20 Cu N2 O8 S2 -","- C14 H20 Cu N2 O8 S2 -","- C28 H40 Cu2 N4 O16 S4 -","2","0.5","NA6303","Fang, Rui-Qin; Zhang, Xian-Ming; Wu, Hai-Shun; Ng^a^, Seik Weng","Tetraaquabis(4-pyridylthioacetato)copper(II)","Acta Crystallographica Section E","2004","60","4","m401","m402","10.1107/S1600536804005331","","","0.71073","MoKα","","0.0681","0.059","","","0.1811","0.1859","","","","","","1.196","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203505","7.3772","0.0017","13.453","0.002","12.085","0.002","90","","92.026","0.018","90","","1198.6","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Bis(dimethyl sulfoxide-κO)bis(1-phenylbutane-1,3-dionate-κ^2^O,O')nickel(II)","","- C24 H30 Ni O6 S2 -","- C24 H30 Ni O6 S2 -","- C48 H60 Ni2 O12 S4 -","2","0.5","WK6011","Ernest Meštrović; Ivan Halasz; Dejan-Krešimir Bučar; Marijana Žgela","Bis(dimethyl sulfoxide-κ<i>O</i>)bis(1-phenylbutane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')nickel(II)","Acta Crystallographica Section E","2004","60","4","m367","m369","10.1107/S1600536804004854","","","0.71073","MoKα","","0.0724","0.0351","","","0.0556","0.0637","","","","","","0.95","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203506","10.068","0.0007","7.008","0.0005","14.03","0.0013","90","","106.32","0.003","90","","950.02","0.13","180","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H11 B Fe O2 -","- C10 H11 B Fe O2 -","- C40 H44 B4 Fe4 O8 -","4","1","WK6014","Bresner, Christopher; Aldridge, Simon; Fallis, Ian A.; Ooi, Li-Ling","Hydrogen-bonding motifs in the solid-state structure of ferroceneboronic acid","Acta Crystallographica Section E","2004","60","4","m441","m443","10.1107/S1600536804006014","","","0.71073","MoKα","","","0.0545","","","","0.1054","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203851","15.775","0.001","5.7314","0.0004","16.95","0.001","90","","97.726","0.001","90","","1518.59","0.17","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Poly[[diaquanickel(II)]-μ-(4-pyridysulfanyl)acetato-nickel(II)-tri- μ-(4-pyridysulfanyl)acetato]","","- C28 H28 N4 Ni2 O10 S4 -","- C28 H28 N4 Ni2 O10 S4 -","- C56 H56 N8 Ni4 O20 S8 -","2","0.5","BT6464","Huang, Yong-Qing; Zhang, Hui; Chen, Jian-Gu; Zou, Wei; Ng, Seik Weng","Poly[[diaquanickel(II)]-μ-(4-pyridysulfanyl)acetato-nickel(II)-tri-μ-(4-pyridysulfanyl)acetato]","Acta Crystallographica Section E","2004","60","7","m935","m936","10.1107/S1600536804013352","","","0.71073","MoKα","","0.056","0.048","","","0.118","0.123","","","","","","1.13","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203864","8.0753","0.0008","13.698","0.001","14.054","0.001","90","","92.639","0.002","90","","1552.9","0.2","167.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H12 Br2 -","- C20 H12 Br2 -","- C80 H48 Br8 -","4","1","CF6346","Rebecca J. Abergel; Mircea Dinca","9,10-Dibromotriptycene","Acta Crystallographica Section E","2004","60","7","o1248","o1249","10.1107/S1600536804013753","","","0.7107","MoKα","","","0.0416","","","","0.0537","","","","","","2.081","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203983","7.763","0.006","9.152","0.004","8.619","0.006","90","","98.08","0.06","90","","606.3","0.7","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","catena-Poly[silver(I)-μ-isonicotinato-κ^2^O:N]","","- C6 H4 Ag N O2 -","- C6 H4 Ag N O2 -","- C24 H16 Ag4 N4 O8 -","4","1","BT6491","Yang, Yang-Yi; Huang, Zhong-Qi; Ouyang, Gang-Feng; Ng, Seik Weng","catena-Poly[silver(I)-μ-isonicotinato-κ^2^O:N]","Acta Crystallographica, Section E","2004","60","8","m1158","m1159","10.1107/S1600536804017684","","","0.71073","MoKα","","0.103","0.058","","","0.134","0.155","","","","","","1.03","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204286","10.46","0.01","17.79","0.02","12.04","0.01","90","","109.25","0.04","90","","2115","4","296.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C48 H36 Cu2 N4 O12 -","- C48 H36 Cu2 N4 O12 -","- C96 H72 Cu4 N8 O24 -","2","0.5","CF6371","Wang, Yue; Okabe, Nobuo","Di-μ-salicylato-κ^4^<i>O</i>:<i>O</i>'-bis[(2,2'-bipyridine-κ^2^<i>N,N</i>')copper(II)] bis(salicylic acid)","Acta Crystallographica Section E","2004","60","10","m1434","m1436","10.1107/S1600536804022615","","","0.7107","MoKα","","","0.044","","","","0.131","","","","","","0.854","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204455","7.542","0.002","21.22","0.005","9.478","0.002","90","","95.836","0.004","90","","1509","0.6","295","2","295","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","catena-Poly[bis[aqua(1,10-phenanthroline)cobalt(II)]-μ~4~-1,2,4,5- benzenetetracarboxylato]","","- C34 H22 Co2 N4 O10 -","- C34 H22 Co2 N4 O10 -","- C68 H44 Co4 N8 O20 -","2","0.5","CF6381","Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng","<i>catena</i>-Poly[bis[aqua(1,10-phenanthroline)cobalt(II)]-μ~4~-1,2,4,5-benzenetetracarboxylato]","Acta Crystallographica Section E","2004","60","11","m1716","m1718","10.1107/S1600536804026765","","","0.71073","MoKα","","0.1071","0.0739","","","0.1757","0.1946","","","","","","1.081","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204574","12.767","0.003","7.346","0.002","13.133","0.005","90","","90.66","0.03","90","","1231.6","0.6","298","1","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32 H22 Cu N4 O2 -","- C32 H22 Cu N4 O2 -","- C64 H44 Cu2 N8 O4 -","2","0.5","TK6188","Akitsu, Takashiro; Einaga, Yasuaki","Bis[2-(quinolin-3-yliminomethyl)phenolato-κ^2^<i>N,O</i>]copper(II)","Acta Crystallographica Section E","2004","60","11","m1552","m1554","10.1107/S1600536804023591","","","0.7107","MoKα","","","0.039","","","","0.112","","","","","","0.998","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204906","7.953","0.001","20.468","0.003","7.945","0.0009","90","","99.516","0.008","90","","1275.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","o-nitrophenyl o-toluenesulfonate","2-Nitrophenyl 4-toluenesulfonate","","- C13 H11 N O5 S -","- C13 H11 N O5 S -","- C52 H44 N4 O20 S4 -","4","1","IS6025","Vadivelu Manivannan; Nagarajan Vembu; Maruthai Nallu; Kandasamy Sivakumar; Fronczek R. Frank","2-Nitrophenyl 4-toluenesulfonate: supramolecular aggregation through weak C—H···O, C—H···π and π‒π interactions","Acta Crystallographica Section E","2005","61","1","o118","o120","10.1107/S1600536804032477","","","0.71073","MoKα","","0.1071","0.0612","","","0.1791","0.1867","","","","","","0.982","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204991","12.2994","0.0018","11.6445","0.0017","13.66","0.002","90","","113.909","0.002","90","","1788.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","Aqua[bis(5-bromosalicylidene)ethylenediaminato]chloromanganese(III)","aqua{4,4'-dibromo-2,2'-[1,2- ethanediylbis(nitrilomethylidyne)]diphenolato]chloromanganese(III)), [Mn(C~16~H~12~Br~2~N~2~O~2~)Cl(H~2~O)]","","- C16 H14 Br2 Cl Mn N2 O3 -","- C16 H14 Br2 Cl Mn N2 O3 -","- C64 H56 Br8 Cl4 Mn4 N8 O12 -","4","1","BR6176","Dang, Li-Long; Huo, Yong-Qian; Wang, Wei; Li, Jun","Aqua[bis(5-bromosalicylidene)ethylenediaminato]chloromanganese(III)","Acta Crystallographica Section E","2005","61","2","m332","m334","10.1107/S1600536805000942","","","0.71073","MoKα","","0.082","0.0726","","","0.1586","0.1641","","","","","","1.191","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205105","10.433","0.001","7.458","0.001","7.238","0.001","90","","113.3","0.02","90","","517.25","0.14","14","","14","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,3,5-triazine-2,4,6-triamine","","- C3 H6 N6 -","- C3 H6 N6 -","- C12 H24 N24 -","4","1","LH6307","Cousson, A.; Nicolaï, B.; Fillaux, F.","Melamine (1,3,5-triazine-2,4,6-triamine): a neutron diffraction study at 14K","Acta Crystallographica Section E","2005","61","2","o222","o224","10.1107/S160053680403332X","","neutron","0.831","neutron","","0.0557","0.0467","","0.0438","0.0434","0.0434","","","","","","1.1111","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205527","7.836","0.002","16.833","0.004","8.49","0.002","90","","96.72","0.02","90","","1112.2","0.5","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-bromobenzophenone","2-Bromobenzophenone","","- C13 H9 Br O -","- C13 H9 Br O -","- C52 H36 Br4 O4 -","4","1","KP6034","Baumer, Vyacheslav N.; Romashkin, Roman V.; Strzhemechny, Mikhail A.; Avdeenko, Anatoly A.; Pyshkin, Oleg S.; Zubatyuk, Roman I.; Buravtseva, Lyubov M.","2-Bromobenzophenone","Acta Crystallographica Section E","2005","61","4","o1170","o1172","10.1107/S1600536805009190","","","0.71073","MoKα","","","0.0383","","","","0.0641","","","","","","0.94","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205563","16.688","0.004","12.946","0.003","19.178","0.004","90","","111.97","0.02","90","","3842.4","1.6","93.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Bis[3,5-di-tert-butyl-2-hydroxybenzoato-κO]bis(dimethyl sulfoxide-κO)zinc(II)","","- C34 H54 O8 S2 Zn -","- C34 H54 O8 S2 Zn -","- C136 H216 O32 S8 Zn4 -","4","1","OB6486","Makino, Takashi; Mizuguchi, Jin","Bis[3,5-di-<i>tert</i>-butyl-2-hydroxybenzoato-κ<i>O</i>]bis(dimethyl sulfoxide-κ<i>O</i>)zinc(II)","Acta Crystallographica Section E","2005","61","4","m679","m681","10.1107/S1600536805007397","","","1.5418","CuKα","","","0.0584","","","","0.1703","","","","","","0.472","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2205702","9.608","0.0019","22.856","0.004","10.2908","0.0017","90","","98.353","0.016","90","","2235.9","0.7","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C96 H116 N4 O20 -","4","1","ER6008","Våbenø, Jon; Ingebrigtsen, Truls; Lejon, Tore; Luthman, Kristina; Hansen, Lars Kr.","Benzyl-5-[<i>N</i>-(<i>tert</i>-butoxycarbonyl)amino]-4-oxo-6-phenylhexanoate","Acta Crystallographica Section E","2005","61","5","o1331","o1332","10.1107/S1600536805010895","","","0.71069","MoKα","","0.1193","0.0354","","","0.0816","0.0987","","","","","","0.912","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206202","12.296","0.001","10.587","0.002","17.164","0.002","90","","99.77","0.03","90","","2202","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","4-{[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-[(2,6- dimethylphenyl)aminocarbonylmethyl]piperazine","","- C23 H26 Cl N5 O2 -","- C23 H26 Cl N5 O2 -","- C92 H104 Cl4 N20 O8 -","4","1","HG6196","Wang, Hai-Bo; Pu, Yue-Qing; Chen, Jia-Hui; Wang, Jin-Tang","4-{[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-[(2,6-dimethylphenyl)aminocarbonylmethyl]piperazine","Acta Crystallographica Section E","2005","61","7","o1994","o1996","10.1107/S1600536805017228","","","0.71073","MoKα","","0.1047","0.0577","","","0.1674","0.2011","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206308","7.4467","0.0016","6.1343","0.0011","22.72","0.003","90","","92.508","0.019","90","","1036.9","0.3","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","4-(2-Naphthyl)pyrimidine","","- C14 H10 N2 -","- C14 H10 N2 -","- C56 H40 N8 -","4","1","TK6230","Ingebrigtsen, Truls; Lejon, Tore; Hansen, Lars Kr.","4-(2-Naphthyl)pyrimidine","Acta Crystallographica Section E","2005","61","7","o2256","o2257","10.1107/S1600536805019306","","","0.71069","MoKα","","0.187","0.04","","","0.071","0.097","","","","","","0.82","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206792","8.467","0.002","13.808","0.003","14.453","0.002","90","","106.62","0.02","90","","1619.1","0.6","300","2","300","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","C26 H32 N4 P4 O12","Bis(4,4'-diphenylmethylendiammonium) cyclotetraphosphate","","- C26 H32 N4 O12 P4 -","- C26 H32 N4 O12 P4 -","- C52 H64 N8 O24 P8 -","2","0.5","SJ6128","Nahouane, Rachid; Soumhi, El Hassane; Saadoune, Ismael; Driss, Ahmed","4,4'-Methylenedianilinium hemi(cyclotetraphosphate)","Acta Crystallographica Section E","2005","61","9","o2850","o2852","10.1107/S1600536805025043","","","0.71073","MoKα","","0.0506","0.0384","","","0.11","0.1176","","","","","","1.079","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2207001","13.64","0.0003","8.79","0.0003","15.231","0.0005","90","","100.697","0.001","90","","1794.4","0.09","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","2,4-Pentanedionatobis(dimethylaminoethanol)nickel(II) chloride","","- C13 H29 Cl N2 Ni O4 -","- C13 H29 Cl N2 Ni O4 -","- C52 H116 Cl4 N8 Ni4 O16 -","4","1","LH6466","Sohail, Manzar; Kieran C. Molloy; Mazhar, Muhammad; G. Kociok-Köhn; Khosa, M. Kaleem","Bis[2-(dimethylamino)ethanol-κ^2^<i>N</i>,<i>O</i>](pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')nickel(II) chloride","Acta Crystallographica Section E","2005","61","10","m2001","m2002","10.1107/S1600536805028424","","","0.71073","MoKα","","0.0681","0.0498","","","0.122","0.1369","","","","","","1.069","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207075","12.0231","0.0019","5.7685","0.0008","14.434","0.002","90","","114.393","0.011","90","","911.7","0.2","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","4-Amino-5-(2-hydroxyphenyl)-2H-1,2,4-triazole-3(4H)-thione","","- C8 H8 N4 O S -","- C8 H8 N4 O S -","- C32 H32 N16 O4 S4 -","4","1","TK6257","Dinçer, Muharrem; Özdemir, Namık; Çetin, Ahmet; Cansız, Ahmet; Şekerci, Memet","4-Amino-5-(2-hydroxyphenyl)-2<i>H</i>-1,2,4-triazole-3(4<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","10","o3214","o3216","10.1107/S1600536805027972","","","0.71073","MoKα","","0.046","0.038","","","0.106","0.11","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207788","11.1239","0.001","9.0159","0.0007","11.9664","0.0009","90","","113.97","0.007","90","","1096.63","0.17","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","5-Methyl-3-(5-methylisoxazol-3-yl)cyclohex-2-enone","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","HG6281","K. R. Scott; Butcher, Ray J.; Hanson, Clive D.","5-Methyl-3-(5-methylisoxazol-3-yl)cyclohex-2-enone","Acta Crystallographica Section E","2006","62","1","o215","o217","10.1107/S1600536805040766","","","1.5418","CuKα","","0.0606","0.0523","","","0.1309","0.1426","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208156","14.821","0.003","9.656","0.002","8.365","0.002","90","","92.46","0.03","90","","1196","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","N-(2-Chlorophenyl)benzenesulfonamide","","- C12 H10 Cl N O2 S -","- C12 H10 Cl N O2 S -","- C48 H40 Cl4 N4 O8 S4 -","4","1","SG2002","Perlovich, German L.; Tkachev, Valery V.; Schaper, Klaus-Jürgen; Raevsky, Oleg A.","<i>N</i>-(2-Chlorophenyl)benzenesulfonamide","Acta Crystallographica Section E","2006","62","2","o780","o782","10.1107/S1600536806002303","","","0.71073","MoKα","","0.0506","0.0347","","","0.0959","0.1003","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208347","11.6903","0.0002","12.4357","0.0002","17.6041","0.0003","90","","91.753","0.001","90","","2558.03","0.07","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bis(tert-butyl isocyanide)-1κ^2^C-di-μ-carbonyl-2:3κ^4^C-octacarbonyl- 1κ^2^C,2κ^3^C,3κ^3^C-triangulo-diironosmium","","- C20 H18 Fe2 N2 O10 Os -","- C20 H18 Fe2 N2 O10 Os -","- C80 H72 Fe8 N8 O40 Os4 -","4","1","HG6301","Tegel, Marcus; Evans, Cameron; Farrugia, Louis J.","Bis(<i>tert</i>-butyl isocyanide)-1κ^2^<i>C</i>-di-μ-carbonyl-2:3κ^4^<i>C</i>-octacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-<i>triangulo</i>-diironosmium","Acta Crystallographica Section E","2006","62","3","m478","m479","10.1107/S1600536806004247","","","0.71073","MoKα","","0.0262","0.0206","","","0.0411","0.0421","","","","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208450","9.0766","0.0003","12.2646","0.0004","6.1689","0.0002","90","","104.548","0.0016","90","","664.71","0.04","298","","295","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Dipotassium hexaaquairon(II) bis(sulfate)","","- Fe H12 K2 O14 S2 -","- Fe H12 K2 O14 S2 -","- Fe2 H24 K4 O28 S4 -","2","0.5","WM6137","Ballirano, Paolo; Belardi, Girolamo","Rietveld refinement of the Tutton salt K~2~[Fe(H~2~O)~6~](SO~4~)~2~","Acta Crystallographica Section E","2006","62","3","i58","i60","10.1107/S1600536806005514","","","1.54178","CuKα","","","","","","","","","","1.04","","","","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208489","10.7585","0.0007","13.5889","0.0009","11.6754","0.0007","90","","96.971","0.001","90","","1694.28","0.19","376","2","376","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H16 Br2 O2 S -","- C17 H16 Br2 O2 S -","- C68 H64 Br8 O8 S4 -","4","1","AT2020","Ray J. Butcher; Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Mithun, A.","2,3-Dibromo-1-(4-methoxyphenyl)-3-[4-(methylsulfanyl)phenyl]propan-1-one","Acta Crystallographica Section E","2006","62","4","o1629","o1630","10.1107/S1600536806010944","","","0.71073","MoKα","","0.0574","0.0347","","","0.0771","0.0857","","","","","","1.006","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208827","6.908","0.002","6.29","0.004","15.06","0.006","90","","95.57","0.03","90","","651.3","0.5","290","2","290","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","6-Bromopyridine-2-carbaldehyde","","- C6 H4 Br N O -","- C6 H4 Br N O -","- C24 H16 Br4 N4 O4 -","4","1","CI2041","Huan-Xia Zhang; Da-Bin Qin; Lin-Hai Jing; Shao-Jin Gu; Zhi-Hua Mao","6-Bromopyridine-2-carbaldehyde","Acta Crystallographica Section E","2006","62","5","o1715","o1716","10.1107/S1600536806011615","","","0.71073","MoKα","","0.0841","0.0384","","","0.0872","0.0993","","","","","","0.987","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208870","10.7111","0.0012","4.415","0.0006","14.9541","0.0018","90","","95.053","0.014","90","","704.42","0.15","203","2","203","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","2-(Cyclohexa-1,4-dienyl)acetic acid","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","DN2025","Therrien, Bruno; Süss-Fink, Georg","2-(Cyclohexa-1,4-dienyl)acetic acid","Acta Crystallographica Section E","2006","62","5","o1877","o1878","10.1107/S1600536806013158","","","0.71073","MoKα","","0.0599","0.043","","","0.1105","0.122","","","","","","0.977","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208963","7.709","0.001","15.959","0.002","16.007","0.002","90","","90.49","0.01","90","","1969.2","0.4","170","2","170","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","propafenone hydrochloride","N-{(2RS)-2-Hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl}propanaminium chloride","","- C21 H28 Cl N O3 -","- C21 H28 Cl N O3 -","- C84 H112 Cl4 N4 O12 -","4","1","OB2009","Bambagiotti-Alberti, Massimo; Bruni, Bruno; Costantino, Ferdinando; Di Vaira, Massimo; Giannellini, Valerio","<i>N</i>-{(2<i>RS</i>)-2-Hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl}propanaminium chloride","Acta Crystallographica Section E","2006","62","5","o1694","o1695","10.1107/S1600536806011408","","","1.5418","CuKα","","0.0869","0.0483","","","0.1132","0.123","","","","","","0.924","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209313","7.8442","0.0012","18.365","0.003","10.7516","0.0018","90","","105.781","0.007","90","","1490.5","0.4","294","2","294","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1-[4,6-Dimethoxy-2-(4-hydroxyphenyl)-1-benzofuran-3-yl]ethanone","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","SJ2057","Xiao-Xiao Li; Yu-Ping Wei; Ye-Fei Nan; Chang-Hua Hua; Liang-Dong Sun","1-[2-(4-Hydroxyphenyl)-4,6-dimethoxy-1-benzofuran-3-yl]ethanone","Acta Crystallographica Section E","2006","62","6","o2385","o2386","10.1107/S160053680601734X","","","0.7107","MoKα","","0.0709","0.048","","","0.1328","0.1471","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209545","8.6561","0.0009","17.7944","0.0018","9.309","0.0011","90","","117.22","0.03","90","","1275.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-(2-Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline","","- C13 H16 Cl N O3 -","- C13 H16 Cl N O3 -","- C52 H64 Cl4 N4 O12 -","4","1","HK2054","Yong Ling; Hao Xu; Zhi-Hong Zou; Cheng Yao","2-(2-Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section E","2006","62","7","o2775","o2777","10.1107/S1600536806021374","","","0.71073","MoKα","","0.1011","0.0532","","","0.1163","0.1406","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2211232","10.3685","0.0008","25.5118","0.0019","10.5823","0.0008","90","","100.091","0.006","90","","2755.9","0.4","120","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","μ-Benzene-1,2,4,5-tetracarboxylato-bis[aquabis(2,2'-bipyridine)cobalt(II)] dodecahydrate","","- C50 H62 Co2 N8 O22 -","- C50 H62 Co2 N8 O22 -","- C100 H124 Co4 N16 O44 -","2","0.5","WN2062","Tabatabaee, Masoumeh; Ghassemzadeh, Mitra; Rezaie, Fatemeh; Khavasi, Hamid Reza; Amini, Mostafa M.","μ-Benzene-1,2,4,5-tetracarboxylato-bis[aquabis(2,2'-bipyridine)cobalt(II)] dodecahydrate","Acta Crystallographica Section E","2006","62","11","m2784","m2785","10.1107/S1600536806039559","","","0.71073","MoKα","","","0.0292","","","","0.0681","","","","","","1.063","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211484","9.205","0.004","11.311","0.004","13.489","0.005","90","","102.19","0.03","90","","1372.8","0.9","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-Acetyl-2-(4-methylphenyl)cyclohex-2-en-1-one oxime","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","JH2044","M. Periasamy; J. C. Jebaraj; J. Suresh; A. Ponnuswamy; S. Natarajan","3-Acetyl-2-(4-methylphenyl)cyclohex-2-en-1-one oxime","Acta Crystallographica Section E","2006","62","12","o5920","o5922","10.1107/S1600536806049713","","","0.71073","MoKα","","0.0994","0.0631","","","0.1654","0.1923","","","","","","1.024","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211804","12.6019","0.0006","7.178","0.0004","17.6949","0.0009","90","","94.783","0.003","90","","1595.04","0.14","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-Pyridylmethyl)adamantane-1-ammonium chloride monohydrate","","- C16 H25 Cl N2 O -","- C16 H25 Cl N2 O -","- C64 H100 Cl4 N8 O4 -","4","1","EZ2053","Yun-Qian Zhang; Xin Xiao; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","<i>N</i>-(2-Pyridylmethyl)adamantane-1-ammonium chloride monohydrate","Acta Crystallographica Section E","2007","63","1","o256","o258","10.1107/S1600536806051907","","","0.71073","MoKα","","0.057","0.041","","","0.113","0.131","","","","","","1.08","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211858","9.488","0.004","10.894","0.005","17.871","0.007","90","","96.03","0.02","90","","1837","1.4","110","2","110","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(2,2-Dicyclohexylacetato)trimethyltin(IV)","","- C17 H32 O2 Sn -","- C17 H32 O2 Sn -","- C68 H128 O8 Sn4 -","4","1","HK2175","Cheikh Abdoul Khadir, Diop; Assane, Touré; Libasse, Diop; Tinant, Bernard; Mahieu, Bernard","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-2,2-dicyclohexylacetato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2007","63","1","m258","m260","10.1107/S1600536806053967","","","0.71069","MoKα","","0.0377","0.0368","","","0.1022","0.1027","","","","","","1.253","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212106","9.8351","0.0007","11.3996","0.0008","10.426","0.0007","90","","95.079","0.003","90","","1164.33","0.14","113","2","113","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2'-(1,3-Benzodioxol-5-ylmethylene)furan-2-carbohydrazide","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C52 H40 N8 O16 -","4","1","CI2279","Zhou, Qing-Li; Wang, Chang-Lu; Jing, Zuo-Liang","2'-(1,3-Benzodioxol-5-ylmethylene)furan-2-carbohydrazide","Acta Crystallographica Section E","2007","63","2","o898","o899","10.1107/S160053680700308X","","","0.7107","MoKα","","0.0729","0.0439","","","0.106","0.1596","","","","","","1.072","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212151","9.25625","0.00005","12.36268","0.00006","6.22496","0.00003","90","","105.309","0.0004","90","","687.058","0.006","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Dirubidium hexaaquacopper bis(sulfate)","","- Cu H12 O14 Rb2 S2 -","- Cu H12 O14 Rb2 S2 -","- Cu2 H24 O28 Rb4 S4 -","2","0.5","FI2025","Ballirano, Paolo; Belardi, Girolamo","Rietveld refinement of the Tutton's salt Rb~2~[Cu(H~2~O)~6~](SO~4~)~2~ from parallel-beam X-ray powder diffraction data","Acta Crystallographica Section E","2007","63","2","i56","i58","10.1107/S1600536807002656","","","1.54179","CuKα","","","","","","","","","","2.46","","","","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2212161","13.112","0.013","8.35","0.008","13.299","0.013","90","","90.721","0.007","90","","1456","2","123.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","5-Benzyl-1,3,5-trimethylpyrimidine-2,4,6(1H,3H,5H)-trithione","","- C14 H16 N2 S3 -","- C14 H16 N2 S3 -","- C56 H64 N8 S12 -","4","1","FL2091","Takechi, Haruko; Kubo, Kanji; Takahashi, Hajime; Matsumoto, Taisuke","5-Benzyl-1,3,5-trimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trithione","Acta Crystallographica Section E","2007","63","2","o701","o703","10.1107/S1600536807000888","","","0.7107","MoKα","","","0.0279","","","","0.0892","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212176","15.8202","0.0005","7.6963","0.0003","7.4449","0.0003","90","","101.293","0.002","90","","888.92","0.06","293","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","eakerite","dicalcium tin dialuminosilicate dihydroxide dihydrate","","- Al2 Ca2 H6 O22 Si6 Sn -","- Al2 Ca2 H6 O22 Si6 Sn -","- Al4 Ca4 H12 O44 Si12 Sn2 -","2","0.5","HB2229","Uchida, Hinako; Downs, Robert T.; Thompson, Richard M.","Reinvestigation of eakerite, Ca~2~SnAl~2~Si~6~O~18~(OH)~2~·2H~2~O: H-atom positions by single-crystal X-ray diffraction and correlation with Raman spectroscopic data","Acta Crystallographica Section E","2007","63","2","i47","i49","10.1107/S1600536807002000","","","0.71073","MoKα","","0.0358","0.0267","","","0.0625","0.0656","","","","","","1.05","","","","has coordinates","282541","2023-04-10","17:11:17",""
"2212549","11.3","0.004","5.5286","0.0018","16.141","0.005","90","","106.856","0.018","90","","965.1","0.6","153.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,4-Bis(1-naphthylmethyl)piperazine","","- C26 H26 N2 -","- C26 H26 N2 -","- C52 H52 N4 -","2","0.5","FL2101","Kubo, Kanji; Yamamoto, Emi; Hayakawa, Akinori; Sakurai, Tadamitsu; Mori, Akira","1,4-Bis(1-naphthylmethyl)piperazine","Acta Crystallographica Section E","2007","63","3","o1347","o1348","10.1107/S1600536807007118","","","1.54187","CuKα","","","0.0742","","","","0.2493","","","","","","1.23","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212597","11.9699","0.0013","12.3375","0.0015","17.8027","0.0018","90","","100.192","0.008","90","","2587.6","0.5","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1,9'-Dimethyl-2',4'-diphenyl-4',9'-dihydro-2'H-spiro[indoline-3,3'- thiopyrano[2,3-b]indole]-2-thione","","- C32 H26 N2 S2 -","- C32 H26 N2 S2 -","- C128 H104 N8 S8 -","4","1","HJ3029","Hojabri, Leila; Matloubi, Firouz M.; Khavasi, Hamid Reza","1,9'-Dimethyl-2',4'-diphenyl-4',9'-dihydro-2'<i>H</i>-spiro[indoline-3,3'-thiopyrano[2,3-<i>b</i>]indole]-2-thione","Acta Crystallographica Section E","2007","63","3","o1306","o1307","10.1107/S1600536807006174","","","0.71073","MoKα","","0.0528","0.045","","","0.116","0.1212","","","","","","1.056","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213003","8.5557","0.0003","25.013","0.0008","12.2675","0.0004","90","","104.415","0.003","90","","2542.64","0.15","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","irbesartan chloride 1.69-hydrate","2-Butyl-4-oxo-3-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3-aza-1- azoniaspiro[4.4]non-1-ene chloride 1.69-hydrate","","- C25 H32.38 Cl N6 O2.69 -","- C25 H32.372 Cl N6 O2.686 -","- C100 H129.488 Cl4 N24 O10.744 -","4","1","SJ2227","Bartolucci, Gianluca; Bruni, Bruno; Di Vaira, Massimo; Giannellini, Valerio","2-Butyl-4-oxo-3-{[2'-(1<i>H</i>-tetrazol-5-yl)biphenyl-4-yl]methyl}-3-aza-1-azoniaspiro[4.4]non-1-ene chloride 1.69-hydrate (irbesartan hydrochloride 1.69-hydrate)","Acta Crystallographica Section E","2007","63","4","o1529","o1531","10.1107/S1600536807008951","","","1.5418","CuKα","","0.0605","0.0499","","","0.1338","0.1393","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2213108","12.2284","0.0003","8.0986","0.0003","13.1376","0.0004","90","","91.336","0.002","90","","1300.7","0.07","160","2","160","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","phenylcyclohexanone","1-Methyl-5-(3-nitrophenyl)-3-oxocyclohexanecarbonitrile","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","AT2280","M. Subramanyam; A. Thiruvalluvar; R. T. Sabapathy Mohan; S. Kamatchi","1-Methyl-5-(3-nitrophenyl)-3-oxocyclohexanecarbonitrile","Acta Crystallographica Section E","2007","63","5","o2717","o2717","10.1107/S1600536807020399","","","0.71073","MoKα","","0.0897","0.056","","","0.1412","0.1628","","","","","","1.049","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2213223","16.471","0.003","9.879","0.004","22.065","0.008","90","","109.362","0.017","90","","3387","2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-(4-Methoxyphenyl)-3,3-bis(methylsulfanyl)-2-phenylprop-2-en-1-one","","- C18 H18 O2 S2 -","- C18 H18 O2 S2 -","- C144 H144 O16 S16 -","8","2","CI2339","K. Palani; M. N. Ponnuswamy; P. Jaisankar; P. C. Srinivasan","1-(4-Methoxyphenyl)-3,3-bis(methylsulfanyl)-2-phenylprop-2-en-1-one","Acta Crystallographica Section E","2007","63","5","o2373","o2374","10.1107/S1600536807015590","","","0.71073","MoKα","","0.1327","0.0582","","","0.1406","0.172","","","","","","1.023","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213443","15.5198","0.001","14.7573","0.0012","15.6383","0.0014","90","","119.537","0.007","90","","3116.2","0.5","294","1","294","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(2RS)-3-(4-Hydroxyphenyl)-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)propanoic acid monohydrate","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C136 H136 N8 O40 -","8","2","LH2339","Gallagher, John F.; Brady, Fiona","(2<i>RS</i>)-3-(4-Hydroxyphenyl)-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)propanoic acid monohydrate","Acta Crystallographica Section E","2007","63","5","o2207","o2210","10.1107/S1600536807014158","","","0.71073","MolybdenumKα","","0.123","0.0492","","","0.1111","0.1269","","","","","","0.96","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2213890","8.2095","0.0001","12.9738","0.0002","18.8054","0.0003","90","","93.2975","0.0007","90","","1999.62","0.05","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,5-Bis(2-naphthylmethylsulfanyl)-1-thia-3,4-diazacyclopenta-2,5-diene","","- C24 H18 N2 S3 -","- C24 H18 N2 S3 -","- C96 H72 N8 S12 -","4","1","LH2391","How, Fiona N.-F.; Watkin, David J.; Crouse, Karen A.; M. Ibrahim M. Tahir","2,5-Bis(2-naphthylmethylsulfanyl)-1-thia-3,4-diazacyclopenta-2,5-diene","Acta Crystallographica Section E","2007","63","6","o2913","o2913","10.1107/S1600536807024257","","","0.71073","MoKα","","0.0344","0.0344","","0.0724","0.0724","0.0724","","","","","","0.9815","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214067","9.1267","0.0003","8.2114","0.0003","17.2304","0.0009","90","","91.151","0.004","90","","1291.04","0.09","203","2","203","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","substituted-carbazole","Methyl 9-methyl-1-oxo-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","BQ2018","A. Thiruvalluvar; A. Thomas Gunaseelan; A. Ebenezer Martin; K. J. Rajendra Prasad; R.J. Butcher","Methyl 9-methyl-1-oxo-2,3,4,9-tetrahydro-1<i>H</i>-carbazole-2-carboxylate","Acta Crystallographica Section E","2007","63","7","o3093","o3093","10.1107/S160053680702644X","","","0.71073","MoKα","","0.0917","0.0669","","","0.1657","0.1772","","","","","","1.138","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214175","8.8953","0.0002","22.4365","0.0005","9.2114","0.0001","90","","93.921","0.002","90","","1834.1","0.06","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","6-Bromo-5,8-dimethyl-2,2-diphenyl-2H-1-benzopyran","6-Bromo-5,8-dimethyl-2,2-diphenyl-2<i>H</i>-1-benzopyran","","- C23 H19 Br O -","- C23 H19 Br O -","- C92 H76 Br4 O4 -","4","1","DN3054","Shilova, Ekaterina A.; Bougdid, Lahoussine; Pèpe, Gérard; Moustrou, Corinne","6-Bromo-5,8-dimethyl-2,2-diphenyl-2<i>H</i>-1-benzopyran","Acta Crystallographica Section E","2007","63","7","o3341","o3341","10.1107/S1600536807030796","","","0.71073","MoKα","","0.0678","0.0462","","","0.1033","0.1146","","","","","","1.029","","","","has coordinates,has Fobs","209311","2020-10-21","18:00:00",""
"2214276","11.0793","0.0005","23.3836","0.001","12.8133","0.0005","90","","117.746","0.001","90","","2937.9","0.2","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Dibromido(η^5^-pentamethylcyclopentadienyl)(5-\ phenyldibenzophosphole-κP)iridium(III) dichloromethane solvate","","- C29 H30 Br2 Cl2 Ir P -","- C29 H30 Br2 Cl2 Ir P -","- C116 H120 Br8 Cl8 Ir4 P4 -","4","1","IS2170","Mai Kotera; Takayoshi Suzuki","Dibromido(η^5^-pentamethylcyclopentadienyl)(5-phenyldibenzophosphole-κ<i>P</i>)iridium(III) dichloromethane solvate","Acta Crystallographica Section E","2007","63","7","m1818","m1818","10.1107/S1600536807026621","","","0.71075","MoKα","","0.0429","0.0398","","","0.1233","0.1256","","","","","","1.081","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214295","13.0527","0.0003","7.8222","0.0002","16.4471","0.0004","90","","104.29","0.0012","90","","1627.3","0.07","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-Naphthylmethyl N-(3-pyridylmethylene)hydrazinecarbodithioate","","- C18 H15 N3 S2 -","- C18 H15 N3 S2 -","- C72 H60 N12 S8 -","4","1","LH2397","How, Fiona N. F.; Watkin, David J.; Crouse, Karen A.; M. Ibrahim M. Tahir","2-Naphthylmethyl <i>N</i>-(3-pyridylmethylene)hydrazinecarbodithioate","Acta Crystallographica Section E","2007","63","7","o3133","o3134","10.1107/S1600536807025676","","","0.71073","MoKα","","0.0861","0.0565","","0.1982","0.1786","0.1976","","","","","","0.8205","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214425","9.4383","0.0006","12.7605","0.0012","6.313","0.0006","90","","106.199","0.007","90","","730.14","0.11","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Caesium hexaaquacopper sulfate","Dicaesium hexaaquacopper(II) bis[sulfate(VI)]","","- Cs2 Cu H12 O14 S2 -","- Cs2 Cu H12 O14 S2 -","- Cs4 Cu2 H24 O28 S4 -","2","0.5","WM2127","Paolo Ballirano; Girolamo Belardi; Ferdinando Bosi","Redetermination of the Tutton's salt Cs~2~[Cu(H~2~O)~6~](SO~4~)~2~","Acta Crystallographica Section E","2007","63","7","i164","i165","10.1107/S1600536807029790","","","0.71073","MoKα","","0.0419","0.0335","","0.0847","","0.0805","","","","","","1.091","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215200","11.0782","0.0019","9.6177","0.0019","13.352","0.003","90","","96.511","0.009","90","","1413.4","0.5","295","2","295","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","trans-3-(2-Chloro-3-quinolyl)-1-phenyl-2,3-epoxypropan-1-one","","- C18 H12 Cl N O2 -","- C18 H12 Cl N O2 -","- C72 H48 Cl4 N4 O8 -","4","1","LH2468","Raouf Boulcina; Sofiane Bouacida; Thierry Roisnel; Abdelmadjid Debache","<i>trans</i>-3-(2-Chloro-3-quinolyl)-1-phenyl-2,3-epoxypropan-1-one","Acta Crystallographica Section E","2007","63","9","o3795","o3796","10.1107/S1600536807039335","","","0.71073","MoKα","","0.0686","0.0439","","","0.0989","0.1093","","","","","","1.018","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215998","7.268","0.0008","7.5916","0.0011","18.038","0.002","90","","91.25","0.03","90","","995","0.2","294","2","294","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","(Z)-5-(2-Chlorobenzylidene)thiazolidine-2,4-dione","","- C10 H6 Cl N O2 S -","- C10 H6 Cl N O2 S -","- C40 H24 Cl4 N4 O8 S4 -","4","1","HK2342","Sun, Hong-shun; He, Wei; Xu, Ye-ming; Tang, Shi-gui; Guo, Cheng","(<i>Z</i>)-5-(2-Chlorobenzylidene)thiazolidine-2,4-dione","Acta Crystallographica Section E","2007","63","11","o4325","o4325","10.1107/S1600536807049756","","","0.71073","MoKα","","0.1229","0.0678","","","0.1464","0.1727","","","","","","1.008","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216044","13.515","0.001","12.8743","0.001","15.2839","0.0009","90","","94.037","0.005","90","","2652.7","0.3","294","1","294","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","N-Ferrocenylmethyl-2-(3-methylstyryl)-N'-methylbenzimidazolium hexafluorophosphate","","- C28 H27 F6 Fe N2 P -","- C28 H27 F6 Fe N2 P -","- C112 H108 F24 Fe4 N8 P4 -","4","1","LH2519","Gallagher, John F.; Hanlon, Keith; Howarth, Joshua","<i>N</i>-Ferrocenylmethyl-2-(3-methylstyryl)-<i>N</i>'-methylbenzimidazolium hexafluorophosphate","Acta Crystallographica Section E","2007","63","11","m2649","m2649","10.1107/S1600536807047769","","","0.71073","MolybdenumKα","","0.0953","0.0466","","","0.0952","0.1128","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2216589","13.0081","0.0009","8.1407","0.0005","13.758","0.001","90","","107.522","0.005","90","","1389.31","0.17","150","2","150","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","3-Benzylidene-8-methoxy-6-methylchroman-4-one","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","IS2223","A. Marx; R. Suresh; Charles Christoper Kanagam; V. Manivannan; Büyükgüngör, Orhan","3-Benzylidene-8-methoxy-6-methylchroman-4-one","Acta Crystallographica Section E","2007","63","12","o4530","o4530","10.1107/S1600536807053019","","","0.71073","MoKα","","0.0604","0.0387","","","0.0924","0.0991","","","","","","1.027","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216738","6.2745","0.0007","14.6008","0.0015","14.0154","0.0011","90","","94.39","0.03","90","","1280.2","0.2","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","6-Methyl-3-p-tolyl-3,4-dihydroquinazoline","","- C16 H16 N2 -","- C16 H16 N2 -","- C64 H64 N8 -","4","1","RT2006","Tian, Wen-Wen; Dong, Su-Lan; Xu, Jia-Ying; Ding, Shan; Wang, Jin-Tang","6-Methyl-3-<i>p</i>-tolyl-3,4-dihydroquinazoline","Acta Crystallographica Section E","2007","63","12","o4734","o4734","10.1107/S1600536807057534","","","0.71073","MoKα","","0.1382","0.0757","","","0.1688","0.2003","","","","","","1.071","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216764","7.478","0.0006","15.822","0.002","12.6372","0.0013","90","","94.149","0.009","90","","1491.3","0.3","296","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(6Z)-3-Diethylamino-6-(3-hydroxyanilinomethylene)cyclohexa-2,4-dien-1-one","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","SJ2389","Jasinski, Jerry P.; Butcher, Ray J.; Narayana, B.; Swamy, M. T.; Yathirajan, H. S.","(6<i>Z</i>)-3-Diethylamino-6-(3-hydroxyanilinomethylene)cyclohexa-2,4-dien-1-one","Acta Crystallographica Section E","2007","63","12","o4566","o4567","10.1107/S1600536807053652","","","0.71073","MoKα","","0.2058","0.0826","","","0.2054","0.2699","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217590","13.4349","0.0001","23.8601","0.0001","21.7174","0.0001","90","","96.8568","0.0004","90","","6911.9","0.07","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bis{4-[(<i>Z</i>)-N'-(4-hydroxybenzylidene)hydrazino]-8-\ (trifluoromethyl)quinolinium} sulfate dihydrate","","- C34 H30 F6 N6 O8 S -","- C34 H30 F6 N6 O8 S -","- C272 H240 F48 N48 O64 S8 -","8","2","NC2084","Jasinski, Jerry P.; Butcher, Ray J.; Narayana, B.; Sunil, K.; Yathirajan, H. S.","Bis{4-[(<i>Z</i>)-<i>N</i>'-(4-hydroxybenzylidene)hydrazino]-8-(trifluoromethyl)quinolinium} sulfate dihydrate","Acta Crystallographica Section E","2008","64","2","o481","o482","10.1107/S1600536808000561","","","1.54184","CuKα","","0.0494","0.0428","","","0.1217","0.1272","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217597","11.9581","0.0017","15.165","0.002","12.3953","0.0018","90","","105.357","0.013","90","","2167.6","0.5","290","2","290","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3<i>H</i>-xanthene-1,8(2<i>H</i>,7<i>H</i>)-dione","","- C23 H26 Cl2 O4 -","- C23 H26 Cl2 O4 -","- C92 H104 Cl8 O16 -","4","1","NG2413","Mohammadi Ziarani, Ghodsi; Abbasi, Alireza; Badiei, Alireza; Haddadpour, Mahboubeh; Abdi Jahangir, Ali","9-(2,3-Dichlorophenyl)-4a-hydroxy-3,3,6,6-tetramethyl-4,4a,5,6,9,9a-hexahydro-3<i>H</i>-xanthene-1,8(2<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section E","2008","64","2","o519","o519","10.1107/S1600536808002183","","","0.71073","MoKα","","0.1375","0.0596","","","0.1472","0.1619","","","","","","0.851","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218387","13.694","0.013","6.888","0.006","16.929","0.016","90","","112.417","0.012","90","","1476","2","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1-Phenyl-6,7,8,9-hexahydro-1H,5H-cyclohepta[1',2':2,3]pyrido[6,5-c]pyrazol- 4-amine","","- C17 H18 N4 -","- C17 H18 N4 -","- C68 H72 N16 -","4","1","DN2339","Zhang, Lijun; Shi, Daxin; Li, Jiarong; Zhang, Ling; Fan, Yanqiu","1-Phenyl-6,7,8,9-hexahydro-1<i>H</i>,5<i>H</i>-cyclohepta[1',2':2,3]pyrido[6,5-<i>c</i>]pyrazol-4-amine: a new tacrine analogue","Acta Crystallographica Section E","2008","64","6","o1056","","10.1107/S1600536808013366","","","0.7107","MoKα","","0.0832","0.0637","","","0.1501","0.1622","","","","","","1.127","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218629","9.389","0.002","4.782","0.001","29.126","0.007","90","","104.256","0.007","90","","1267.4","0.5","293","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","zinc(II) pentanoate","poly[di-μ-pentanoato-zinc(II)]","","- C10 H18 O4 Zn -","- C10 H18 O4 Zn -","- C40 H72 O16 Zn4 -","4","1","CF2188","Taylor, Richard A.; Ellis, Henry A.","Anhydrous polymeric zinc(II) pentanoate","Acta Crystallographica Section E","2008","64","7","m895","","10.1107/S1600536808008283","","","0.71073","MoKα","","0.0711","0.0619","","","0.1215","0.1255","","","","","","1.167","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219999","18.6878","0.001","17.108","0.0009","25.2742","0.0013","90","","109.924","0.001","90","","7596.8","0.7","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Tris[μ-1,2-bis(diphenylphosphino)ethane]-1:2κ^2^<i>P</i>:<i>P</i>'; 1:3κ^2^<i>P</i>:<i>P</i>';2:3κ^2^<i>P</i>:<i>P</i>'-di-μ-bromido- 1:2κ^4^Br:Br-bromido-3κBr-tricopper(I) acetone hemisolvate","","- C79.5 H75 Br3 Cu3 O0.5 P6 -","- C79.5 H75 Br3 Cu3 O0.5 P6 -","- C318 H300 Br12 Cu12 O2 P24 -","4","1","SJ2547","Shi, Wen-Juan","Tris[μ-1,2-bis(diphenylphosphino)ethane]-1:2κ^2^<i>P</i>:<i>P</i>';1:3κ^2^<i>P</i>:<i>P</i>';2:3κ^2^<i>P</i>:<i>P</i>'-di-μ-bromido-1:2κ^4^<i>Br</i>:<i>Br</i>-bromido-3κ<i>Br</i>-tricopper(I) acetone hemisolvate","Acta Crystallographica Section E","2008","64","11","m1411","","10.1107/S1600536808032789","","","0.71073","MoKα","","0.0918","0.0508","","","0.1162","0.14","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2220739","8.898","0.0005","19.461","0.0008","12.282","0.0005","90","","100.607","0.001","90","","2090.46","0.17","173","1","173","1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,4-Bis[(3,5-dimethoxyphenyl)ethynyl]benzene","","- C26 H22 O4 -","- C26 H22 O4 -","- C104 H88 O16 -","4","1","CI2753","Ono, Katsuhiko; Nakagawa, Koki; Tomura, Masaaki","1,4-Bis[(3,5-dimethoxyphenyl)ethynyl]benzene","Acta Crystallographica Section E","2009","65","2","o346","","10.1107/S160053680900155X","","","0.71073","MoKα","","0.0595","0.0483","","","0.1308","0.1397","","","","","","1.113","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220744","10.7332","0.0007","9.9358","0.0005","11.0753","0.0007","90","","116.201","0.008","90","","1059.74","0.13","200","2","200","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-(2,6-Dioxopiperidin-3-yl)-3-azabicyclo[3.2.0]heptane-2,4-dione","","- C11 H12 N2 O4 -","- C11 H12 N2 O4 -","- C44 H48 N8 O16 -","4","1","CS2103","Hijji, Yousef M.; Benjamin, Ellis; Benjamin, Earl; Butcher, Ray J.; Jasinski, Jerry P.","3-(2,6-Dioxopiperidin-3-yl)-3-azabicyclo[3.2.0]heptane-2,4-dione","Acta Crystallographica Section E","2009","65","2","o394","o395","10.1107/S1600536809002839","","","0.71073","MoKα","","0.0617","0.0386","","","0.0981","0.1075","","","","","","0.99","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220908","6.6615","0.0001","16.4317","0.0004","9.5258","0.0002","90","","95.6881","0.0014","90","","1037.56","0.04","150","1","150","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","<i>catena</i>-Poly[1-ethyl-3-methylimidazolium [tri-μ-chlorido-chromate(II)]]","","- C6 H11 Cl3 Cr N2 -","- C6 H11 Cl3 Cr N2 -","- C24 H44 Cl12 Cr4 N8 -","4","1","SI2146","Danford, James J.; Arif, Atta M.; Berreau, Lisa M.","Poly[1-ethyl-3-methylimidazolium [tri-μ-chlorido-chromate(II)]]","Acta Crystallographica Section E","2009","65","2","m227","","10.1107/S1600536809002281","","","0.71073","MoKα","","0.0321","0.0262","","","0.0613","0.0642","","","","","","1.084","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220909","13.309","0.006","14.088","0.006","14.101","0.006","90","","109.676","0.006","90","","2489.5","1.9","150","1","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","{6,6'-Dimethoxy-2,2'-[<i>o</i>- phenylenebis(nitrilomethylidyne)]diphenolato}cobalt(II) dichloromethane disolvate","","- C24 H22 Cl4 Co N2 O4 -","- C24 H22 Cl4 Co N2 O4 -","- C96 H88 Cl16 Co4 N8 O16 -","4","1","SI2147","Nabei, Atsuhiro; Kuroda-Sowa, Takayoshi; Okubo, Takashi; Maekawa, Masahiko; Munakata, Megumu","{6,6'-Dimethoxy-2,2'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}cobalt(II) dichloromethane disolvate","Acta Crystallographica Section E","2009","65","2","m188","m189","10.1107/S160053680900083X","","","0.7107","MoKα","","","0.0463","","","","0.0886","","","","","","1.149","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2221126","10.1061","0.0003","13.3383","0.0004","14.2229","0.0003","90","","90.189","0.002","90","","1917.21","0.09","294","2","294","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","<i>rac</i>-(2<i>R*</i>,3<i>S</i>*,5<i>S*</i>,6<i>R*</i>,7<i>S*</i>, 8<i>S</i>*)-7,8-Dichlorobicyclo[2.2.2]octane-2,3,5,6-tetrayl tetraacetate","","- C16 H20 Cl2 O8 -","- C16 H20 Cl2 O8 -","- C64 H80 Cl8 O32 -","4","1","KP2205","Şahin, Ertan; Baran, Arif; Balcı, Metin","<i>rac</i>-(2<i>R*</i>,3<i>S</i>*,5<i>S*</i>,6<i>R*</i>,7<i>S*</i>,8<i>S</i>*)-7,8-Dichlorobicyclo[2.2.2]octane-2,3,5,6-tetrayl tetraacetate","Acta Crystallographica Section E","2009","65","3","o526","o527","10.1107/S160053680900484X","","","0.71073","MoKα","","0.0654","0.0647","","","","0.1571","","","","","","1.322","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222379","13.121","0.004","9.816","0.003","20.198","0.007","90","","100.033","0.013","90","","2561.6","1.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","<i>catena</i>-Poly[[(ethanol-κ<i>O</i>)sodium(I)]-di-μ-aqua- [(<i>rac</i>-2'-hydroxy-1,1'-binaphthyl-2-yl phosphato-κ<i>O</i>)sodium]- tri-μ-aqua]","","- C22 H29 Na2 O11 P -","- C22 H29 Na2 O11 P -","- C88 H116 Na8 O44 P4 -","4","1","IS2427","Tachibana, Yuya; Maeda, Yasukatsu","<i>catena</i>-Poly[[(ethanol-κ<i>O</i>)sodium(I)]-di-μ-aqua-[(<i>rac</i>-2'-hydroxy-1,1'-binaphthyl-2-yl phosphato-κ<i>O</i>)sodium]-tri-μ-aqua]","Acta Crystallographica Section E","2009","65","7","m753","","10.1107/S1600536809021394","","","0.71075","MoKα","","0.0435","0.0372","","","0.1076","0.1141","","","","","","1.053","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224900","12.6949","0.0008","6.6596","0.0004","12.8529","0.0009","90","","98.672","0.011","90","","1074.2","0.12","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ethyl 4-(dimethylamino)benzoate","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C44 H60 N4 O8 -","4","1","CI2998","Sundar, J. Kalyana; Natarajan, V.; Arivanandhan, M.; Hayakawa, Y.; Natarajan, S.","Ethyl 4-(dimethylamino)benzoate","Acta Crystallographica Section E","2010","66","2","o355","","10.1107/S160053680905541X","","","0.71073","MoKα","","0.0633","0.0432","","","0.1242","0.1341","","","","","","1.048","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227248","6.6237","0.0002","21.5007","0.0006","14.5544","0.0004","90","","97.539","0.003","90","","2054.84","0.1","110","2","110","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","<i>catena</i>-Poly[[[{5,5'-dimethoxy-2,2'-[ethane-1,2- diylbis(nitrilomethylidyne)]diphenolato}manganese(III)]-μ-acetato] methanol monosolvate]","","- C21 H25 Mn N2 O7 -","- C21 H25 Mn N2 O7 -","- C84 H100 Mn4 N8 O28 -","4","1","BT5366","Assey, Gervas E.; Butcher, Anand M.; Butcher, Ray J.; Gultneh, Yilma","<i>catena</i>-Poly[[[{5,5'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}manganese(III)]-μ-acetato] methanol monosolvate]","Acta Crystallographica Section E","2010","66","11","m1384","m1385","10.1107/S160053681003984X","","","0.71073","MoKα","","0.0579","0.0498","","","0.1319","0.1348","","","","","","1.028","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228277","13.8774","0.0006","14.5321","0.0004","4.9305","0.0002","90","","90.83","0.003","90","","994.22","0.06","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","10-Methylisoalloxazine 5-oxide","10-methylbenzo[<i>g</i>]pteridine-2,4(3<i>H</i>,10<i>H</i>)-dione 5-oxide","","- C11 H8 N4 O3 -","- C11 H8 N4 O3 -","- C44 H32 N16 O12 -","4","1","CV5002","Rohlíček, Jan; Cibulka, Radek; Cibulková, Jana; Maixner, Jaroslav; Hušák, Michal","10-Methylisoalloxazine 5-oxide from synchrotron powder diffraction data","Acta Crystallographica Section E","2010","66","12","o3350","o3351","10.1107/S1600536810048932","powder diffraction","","0.8856","synchrotron","","","","","","","","","","2.67","","","","","","","has coordinates","176789","2020-10-21","18:00:00",""
"2229236","10.487","0.0003","9.076","0.0003","13.493","0.0005","90","","97.755","0.002","90","","1272.52","0.07","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","<i>N</i>-(2-Hydroxy-1,1-dimethylethyl)-4-methylbenzenesulfonamide","","- C11 H17 N O3 S -","- C11 H17 N O3 S -","- C44 H68 N4 O12 S4 -","4","1","SJ5093","Aziz-ur-Rehman; Yasin, Amina; Akkurt, Mehmet; Abbas, Nadia; Abbasi, Muhammad Athar; Khan, Islam Ullah","<i>N</i>-(2-Hydroxy-1,1-dimethylethyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","2","o295","","10.1107/S1600536811000614","","","0.71073","MoKα","","0.0619","0.0448","","","0.1201","0.135","","","","","","1.013","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229245","9.4788","0.0005","10.1893","0.0006","19.9139","0.001","90","","92.296","0.004","90","","1921.79","0.18","294","2","294","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3,5-Bis(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C92 H88 N8 O8 -","4","1","SU2245","Baktır, Zeliha; Akkurt, Mehmet; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.","3,5-Bis(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2011","67","2","o328","o329","10.1107/S1600536811000687","","","0.71073","MoKα","","0.1944","0.062","","","0.1372","0.1839","","","","","","0.898","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229357","7.7214","0.0004","20.7043","0.0014","10.6398","0.0007","90","","109.299","0.002","90","","1605.36","0.17","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Bis (2-Amino-3-carboxypyrazin-1-ium) sulfate dihydrate.","Bis(2-amino-3-carboxypyrazin-1-ium) sulfate dihydrate","","- C10 H16 N6 O10 S -","- C10 H16 N6 O10 S -","- C40 H64 N24 O40 S4 -","4","1","DN2656","Berrah, Fadila; Ouakkaf, Amira; Bouacida, Sofiane; Roisnel, Thierry","Bis(2-amino-3-carboxypyrazin-1-ium) sulfate dihydrate","Acta Crystallographica Section E","2011","67","3","o677","o678","10.1107/S1600536811005824","","","0.71073","MoKα","","0.0423","0.0353","","","0.092","0.0963","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229848","8.8812","0.0009","9.0025","0.0009","11.8995","0.0005","90","","104.318","0.005","90","","921.85","0.14","290","","290","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ammonium piperidine-1-carbodithioate","","- C6 H14 N2 S2 -","- C6 H14 N2 S2 -","- C24 H56 N8 S8 -","4","1","SU2257","Mafud, Ana C.; Gambardella, Maria T. P.","Ammonium piperidine-1-carbodithioate","Acta Crystallographica Section E","2011","67","4","o879","","10.1107/S1600536811008129","","","0.71073","MoKα","","","0.0423","","","","0.123","","","","","","1.062","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2230881","12.241","0.005","5.909","0.005","14.69","0.005","90","","95.519","0.005","90","","1057.6","1.1","290","2","290","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Sodium piperidine-1-carbodithioate dihydrate","Sodium piperidine-1-carbodithioate dihydrate","","- C6 H14 N Na O2 S2 -","- C6 H14 N Na O2 S2 -","- C24 H56 N4 Na4 O8 S8 -","4","1","SU2283","Mafud, Ana C.; Gambardella, Maria Teresa P.","Sodium piperidine-1-carbodithioate dihydrate","Acta Crystallographica Section E","2011","67","7","m942","","10.1107/S1600536811022604","","","0.71073","MoKα","","0.0679","0.0538","","","","0.1516","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231215","9.131","0.005","19.333","0.005","11.291","0.005","90","","99.247","0.005","90","","1967.3","1.5","291","2","291","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","<i>p</i>-Tolyl bis(cyclohexylamido)phosphinate","1-{[bis(phenylamino)phosphoryl]oxy}-4-methylbenzene","","- C19 H31 N2 O2 P -","- C19 H31 N2 O2 P -","- C76 H124 N8 O8 P4 -","4","1","LH5287","Raissi Shabari, Akbar; Pourayoubi, Mehrdad; Taghizadeh, Afsaneh; Ghoreishi, Farnaz; Vahdani, Banafsheh","<i>p</i>-Tolyl bis(cyclohexylamido)phosphinate","Acta Crystallographica Section E","2011","67","8","o2167","","10.1107/S1600536811029722","","","0.71069","MoKα","","0.1755","0.0517","","","0.0704","0.0903","","","","","","0.76","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231813","9.76453","0.00004","9.69622","0.00004","10.95952","0.00004","90","","101.766","0.0002","90","","1015.83","0.007","297","","298","","101.325","","","","","","","4","P 1 21/a 1","-P 2yab","14","Lithium cobalt(II) pyrophosphate","Lithium cobalt(II) pyrophosphate","","- Co Li1.865 O7 P2 -","- Co Li1.865 O7 P2 -","- Co8 Li14.92 O56 P16 -","8","2","BR2175","Zhou, Hui; Upreti, Shailesh; Chernova, Natasha A.; Whittingham, M. Stanley","Lithium cobalt(II) pyrophosphate, Li~1.86~CoP~2~O~7~, from synchrotron X-ray powder data","Acta Crystallographica Section E","2011","67","10","i58","i59","10.1107/S1600536811038451","powder diffraction","","0.413988","Synchrotron","","","","","","","","","","1.62","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2232229","7.6883","0.0006","22.8748","0.0018","10.1","0.0007","90","","100.493","0.009","90","","1746.6","0.2","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Dichlorido(furfurylamine-κ<i>N</i>)(η^6^-hexamethylbenzene)ruthenium(II)","","- C17 H25 Cl2 N O Ru -","- C17 H25 Cl2 N O Ru -","- C68 H100 Cl8 N4 O4 Ru4 -","4","1","FF2034","Garci, Amine; Thai, Trieu-Tien; Süss-Fink, Georg; Therrien, Bruno","Dichlorido(furfurylamine-κ<i>N</i>)(η^6^-hexamethylbenzene)ruthenium(II)","Acta Crystallographica Section E","2011","67","11","m1592","","10.1107/S1600536811043170","","","0.71073","MoKα","","0.0443","0.0328","","","0.0776","0.0805","","","","","","0.938","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233662","10.4785","0.0001","12.9336","0.0002","4.7308","0.0001","90","","105.054","0.001","90","","619.137","0.018","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Kovdorskite","dimagnesium phosphate hydroxide trihydrate","","- H7 Mg2 O8 P -","- H7 Mg2 O8 P -","- H28 Mg8 O32 P4 -","4","1","WM2577","Morrison, Shaunna M.; Downs, Robert T.; Yang, Hexiong","Redetermination of kovdorskite, Mg~2~PO~4~(OH)·3H~2~O","Acta Crystallographica Section E","2012","68","2","i12","i13","10.1107/S1600536812000256","","","0.71073","MoKα","","0.0266","0.0222","","","0.0544","0.0564","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235282","6.841","0.003","27.069","0.009","7.231","0.003","90","","109.413","0.005","90","","1262.9","0.9","270.1","","270","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","calcium tetrathiodigallate(III)","","- Ca Ga2 S4 -","- Ca Ga2 S4 -","- Ca8 Ga16 S32 -","8","2","WM2605","Suzuki, Akihiro; Takizawa, Takeo; Hidaka, Chiharu; Shigetaka, Nomura; Kitajima, Ittetsu","A novel monoclinic phase of impurity-doped CaGa~2~S~4~ as a phosphor with high emission intensity","Acta Crystallographica Section E","2012","68","6","i42","","10.1107/S1600536812019113","","","0.71075","MoKα","","","0.0379","","","","0.0497","","","","","","1.205","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236414","16.2689","0.0019","3.9357","0.0004","19.951","0.0019","90","","109.499","0.003","90","","1204.2","0.2","223","","223","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","2,6-dimethoxy-9,10-anthraquinone","2,6-dimethoxyanthracene-9,10-dione","","- C16 H12 O4 -","- C16 H12 O4 -","- C64 H48 O16 -","4","1","KJ2210","Ohta, Akira; Hattori, Kazuki; Kobayashi, Takashi; Naito, Hiroyoshi; Kawase, Takeshi; Kitamura, Chitoshi","2,6-Dimethoxy-9,10-anthraquinone","Acta Crystallographica Section E","2012","68","10","o2843","","10.1107/S1600536812037361","","","0.71073","MoKα","","0.0983","0.057","","","0.139","0.1783","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236780","10.3609","0.0003","7.87","0.0002","17.7948","0.0007","90","","93.043","0.002","90","","1448.95","0.08","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","<i>N</i>-Ferrocenylmethyl-2-nitroaniline","","- C17 H16 Fe N2 O2 -","- C17 H16 Fe N2 O2 -","- C68 H64 Fe4 N8 O8 -","4","1","ZQ2180","Rahim, Oumelkheir; Khelef, Abdelhamid; Terki, Belgacem; Mahboub, Mohammed Sadok; Lanez, Touhami","<i>N</i>-Ferrocenylmethyl-2-nitroaniline","Acta Crystallographica Section E","2012","68","10","m1318","","10.1107/S1600536812039177","","","0.71073","MoKα","","0.0286","0.0251","","","0.0666","0.0692","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237021","6.456","0.0002","13.0664","0.0003","15.8559","0.0004","90","","91.028","0.002","90","","1337.34","0.06","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1-[(1<i>Z</i>)-1-Ferrocenylethylidene]thiocarbonohydrazide","","- C13 H16 Fe N4 S -","- C13 H16 Fe N4 S -","- C52 H64 Fe4 N16 S4 -","4","1","SJ5273","Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Ishaq, Muhammad; Alamry, Khalid A.; Shafiq, Muhammad","1-[(<i>Z</i>)-1-Ferrocenylethylidene]thiocarbonohydrazide","Acta Crystallographica Section E","2012","68","12","m1439","","10.1107/S1600536812044078","","","1.54184","CuKα","","0.0631","0.0529","","","0.1438","0.1548","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238399","14.541","0.005","6.052","0.005","32.633","0.005","90","","101.871","0.005","90","","2810","3","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-[(<i>E</i>)-2-(2-Hydroxy-5-methylphenyl)diazen-2-ium-1-yl]naphthalen-2-olate","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","2","LR2112","Chetioui, Souheyla; Boudraa, Issam; Bouacida, Sofiane; Bouchoul, Abdelkader; Bouaoud, Salah Eddine","1-[(<i>E</i>)-2-(2-Hydroxy-5-methylphenyl)diazen-2-ium-1-yl]naphthalen-2-olate","Acta Crystallographica Section E","2013","69","8","o1322","o1323","10.1107/S160053681302014X","","","0.71073","MoKα","","0.1454","0.0683","","","0.1649","0.2019","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238659","7.3847","0.0003","25.2814","0.0015","6.1097","0.0003","90","","94.85","0.02","90","","1136.57","0.1","295","2","295","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Tamarugite","Sodium aluminium bis(sulfate) hexahydrate","","- Al H12 Na O14 S2 -","- Al H12 Na O14 S2 -","- Al4 H48 Na4 O56 S8 -","4","1","PJ2005","Mereiter, Kurt","Redetermination of tamarugite, NaAl(SO~4~)~2~·6H~2~O","Acta Crystallographica Section E","2013","69","10","i63","i64","10.1107/S1600536813025154","","","0.71073","MoKα","","0.0339","0.025","","","0.0582","0.0612","","","","","","1.141","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2238850","10.8728","0.0007","13.4403","0.001","9.0695","0.0006","90","","103.68","0.005","90","","1287.76","0.16","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","(C7H10NO)2.SnBr6.2H2O","Bis(2-methoxyanilinium) hexabromidostannate(IV) dihydrate","","- C14 H24 Br6 N2 O4 Sn -","- C14 H24 Br6 N2 O4 Sn -","- C28 H48 Br12 N4 O8 Sn2 -","2","0.5","CV5437","Chouaib, Hassen; Karoui, Sahel; Kamoun, Slaheddine; Michaud, Francois","Bis(2-methoxyanilinium) hexabromidostannate(IV) dihydrate","Acta Crystallographica Section E","2013","69","12","m678","m679","10.1107/S1600536813031681","","","0.71073","MoKα","","0.0695","0.0611","","","0.1484","0.1561","","","","","","1.069","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239057","14.6046","0.0005","10.8008","0.0003","16.3151","0.0006","90","","107.39","0.004","90","","2455.93","0.15","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bis(1,10-phenanthrolin-1-ium) tetrachloridozincate monohydrate","","- C24 H20 Cl4 N4 O Zn -","- C24 H20 Cl4 N4 O Zn -","- C96 H80 Cl16 N16 O4 Zn4 -","4","1","SU2681","Govindan, E.; Thirumurugan, Subramani; Ganeshraja, Ayyakannu Sundaram; Anbalagan, Krishnamoorthy; SubbiahPandi, A.","Bis(1,10-phenanthrolin-1-ium) tetrachloridozincate monohydrate","Acta Crystallographica Section E","2014","70","2","m53","","10.1107/S1600536814000208","","","0.71073","MoKα","","0.0456","0.0305","","","0.0624","0.0679","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239092","7.6037","0.0002","16.8934","0.0004","8.6574","0.0003","90","","111.303","0.003","90","","1036.08","0.06","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Diaquabis(2-ethyl-5-methylimidazole-4-sulfonato-κ^2^<i>N</i>^3^,<i>O</i>)nickel(II) dihydrate","","- C12 H26 N4 Ni O10 S2 -","- C12 H26 N4 Ni O10 S2 -","- C24 H52 N8 Ni2 O20 S4 -","2","0.5","","Purdy, Andrew P.; Butcher, Ray J.","Diaquabis(2-ethyl-5-methylimidazole-4-sulfonato-κ^2^<i>N</i>^3^,<i>O</i>)nickel(II) dihydrate","Acta Crystallographica Section E","2014","70","1","m18","m19","10.1107/S1600536813032169","","","1.54178","CuKα","","0.048","0.0448","","","0.111","0.1123","","","","","","1.177","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240188","12.9207","0.0012","19.2867","0.0017","22.977","0.002","90","","98.6792","0.0018","90","","5660.2","0.9","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","{3-[3,5-Bis(2,6-dimethylphenyl)-1,2-phenylene]-1-(2,6,2'',6''-tetramethyl-1,1':3',1''-terphenyl-5'-yl)imidazol-2-ylidene}chlorido(η^6^-<i>p</i>-cymene)ruthenium(II) benzene disolvate","","- C69 H69 Cl N2 Ru -","- C69 H69 Cl N2 Ru -","- C276 H276 Cl4 N8 Ru4 -","4","1","IS5379","Sase, Shohei; Ikehara, Yuriko; Goto, Kei","Crystal structure of {3-[3,5-bis(2,6-dimethylphenyl)-1,2-phenylene]-1-(2,6,2'',6''-tetramethyl-1,1':3',1''-terphenyl-5'-yl)imidazol-2-ylidene}chlorido(η^6^-<i>p</i>-cymene)ruthenium(II) benzene disolvate","Acta Crystallographica Section E","2014","70","12","m394","","10.1107/S160053681402399X","","","0.71075","MoKα","","0.0382","0.0318","","","0.0874","0.092","","","","","","1.086","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240459","11.557","0.005","21.663","0.005","11.579","0.005","90","","105.974","0.005","90","","2787","1.8","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Trichlorido(4'-ferrocenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')iridium(III) acetonitrile disolvate","","- C29 H25 Cl3 Fe Ir N5 -","- C29 H25 Cl3 Fe Ir N5 -","- C116 H100 Cl12 Fe4 Ir4 N20 -","4","1","WM5126","Davaasuren, Bambar; Padhy, Harihara; Rothenberger, Alexander","Crystal structure of trichlorido(4'-ferrocenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')iridium(III) acetonitrile disolvate","Acta Crystallographica Section E","2015","71","3","m69","m70","10.1107/S2056989015003473","","","0.71073","MoKα","","0.0666","0.0359","","","0.0661","0.0758","","","","","","1.019","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2241175","15.7097","0.0012","7.83","0.0005","21.2351","0.0019","90","","92.635","0.008","90","","2609.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1-(2-Hydroxy-5-methoxyphenyl)ethanone 4,4-dimethylthiosemicarbazone","","- C12 H17 N3 O2 S -","- C12 H17 N3 O2 S -","- C96 H136 N24 O16 S8 -","8","2","CV5496","Anderson, Brian J.; Freedman, Michael B.; Smolenski, Victoria A.; Jasinski, Jerry P.","The crystal structure of 1-(2-hydroxy-5-methoxyphenyl)ethanone 4,4-dimethylthiosemicarbazone","Acta Crystallographica Section E","2015","71","11","o811","o812","10.1107/S2056989015018228","","","0.71073","MoKα","","0.1127","0.0782","","","0.1956","0.2237","","","","","","1.063","","","","has coordinates,has Fobs","159557","2020-10-21","18:00:00",""
"2241361","16.7752","0.0017","5.7573","0.001","12.2887","0.0013","90","","105.68","0.007","90","","1142.7","0.3","297","","297","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","<i>cis</i>-2-Amino-1,2-diphenylethanol","<i>cis</i>-2-Amino-1,2-diphenylethanol","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","SU5243","Fujii, Isao","Crystal structure of racemic <i>cis</i>-2-amino-1,2-diphenylethanol (ADE)","Acta Crystallographica Section E","2015","71","12","1539","1541","10.1107/S2056989015022318","","","1.54178","CuKα","","0.0422","0.0366","","","0.0999","0.1054","","","","","","1.028","","","","has coordinates,has Fobs","170595","2020-10-21","18:00:00",""
"2242604","14.8002","0.0015","7.4029","0.0016","16.0091","0.0016","90","","96.395","0.008","90","","1743.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","3,5-Dinitrosalicylic acid‒phenazine (1/1)","3,5-Dinitrosalicylic acid‒phenazine (1/1)","","- C19 H12 N4 O7 -","- C19 H12 N4 O7 -","- C76 H48 N16 O28 -","4","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.1521","0.0437","","","0.0681","0.0825","","","","","","1.08","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242672","13.956","0.0004","8.2829","0.0002","19.9532","0.0006","90","","95.475","0.001","90","","2295.99","0.11","190","2","190","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","4-(Thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenylmethylester","","- C25 H25 N O5 S -","- C25 H25 N O5 S -","- C100 H100 N4 O20 S4 -","4","1","MW2138","Mishnev, Anatoly; Bisenieks, Egils; Mandrika, Ilona; Petrovska, Ramona; Kalme, Zenta; Bruvere, Imanta; Duburs, Gunars","Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenylmethylester","Acta Crystallographica Section E","2018","74","11","1577","1579","10.1107/S2056989018014251","","","0.71073","MoKα","","0.1426","0.0648","","","0.1409","0.1664","","","","","","1.029","","","","has coordinates,has disorder","211458","2020-10-21","18:00:00",""
"2243343","8.9995","0.0005","16.7778","0.0011","12.3595","0.0008","90","","98.892","0.006","90","","1843.8","0.2","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Ethyl 3-(4-chlorophenyl)-1,6-dimethyl-4-methylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate","","- C18 H18 Cl N3 O2 S -","- C18 H18 Cl N3 O2 S -","- C72 H72 Cl4 N12 O8 S4 -","4","1","LH5946","Rao, H. Surya Prakash; Gunasundari, Ramalingam; Muthukumaran, Jayaraman","Crystal structure analysis of ethyl 3-(4-chlorophenyl)-1,6-dimethyl-4-methylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carboxylate","Acta Crystallographica Section E","2020","76","3","443","445","10.1107/S2056989020002479","","","0.71073","MoKα","","0.0674","0.0487","","","0.1459","0.1614","","","","","","1.104","","","","has coordinates,has Fobs","250391","2020-10-21","18:00:00",""
"2243531","11.7054","0.0007","13.9151","0.0007","13.3273","0.0008","90","","110.347","0.002","90","","2035.3","0.2","93","","93","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","<i>fac</i>-Bromidotricarbonyl(diethyl 2,2'-bipyridine-4,4'-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')manganese(I)","","- C19 H16 Br Mn N2 O7 -","- C19 H16 Br Mn N2 O7 -","- C76 H64 Br4 Mn4 N8 O28 -","4","1","DJ2012","Kanno, Takatoshi; Takase, Tsugiko; Oyama, Dai","Synthesis and crystal structures of manganese(I) carbonyl complexes bearing ester-substituted α-diimine ligands","Acta Crystallographica Section E","2020","76","9","1433","1436","10.1107/S2056989020010750","","","0.71075","MoKα","","0.0425","0.0365","","","0.0937","0.0977","","","","","","1.069","","","","has coordinates,has Fobs","255254","2020-10-21","18:00:00",""
"2243557","7.1048","0.0004","5.3003","0.0003","11.9035","0.0007","90","","111.225","0.005","90","","417.85","0.04","240","2","240","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Sodium propionate","Poly[(μ~5~-propanoato)sodium(I)]","","- C3 H5 Na O2 -","- C3 H5 Na O2 -","- C12 H20 Na4 O8 -","4","1","WM5573","Fábry, Jan; Samolová, Erika","Layered alkali propanoates <i>M</i>^+^(C~2~H~5~COO)^{-^}; <i>M</i>^+^ = Na^+^, K^+^, Rb^+^, Cs^+^","Acta Crystallographica Section E","2020","76","9","1508","1513","10.1107/S2056989020011469","","x-ray","1.54178","CuKα","","0.0594","0.0504","","","0.1341","0.1364","","","","4.13","4.13","3.6","","","","has coordinates,has Fobs","255741","2020-10-21","18:00:00",""
"2300229","12.88606","0.00018","9.38115","0.00012","7.10099","0.0001","90","","115.701","0.0008","90","","773.484","0.019","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300230","12.88559","0.00019","9.38013","0.00012","7.10096","0.0001","90","","115.7","0.0009","90","","773.38","0.02","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300231","12.8865","0.0002","9.3822","0.00017","7.10147","0.00014","90","","115.702","0.0011","90","","773.65","0.03","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300232","12.89","0.00019","9.38466","0.00013","7.10325","0.00011","90","","115.702","0.0009","90","","774.26","0.02","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300233","12.8863","0.0002","9.38162","0.00015","7.10158","0.00013","90","","115.701","0.0011","90","","773.61","0.02","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300234","12.8871","0.0004","9.3824","0.0003","7.1018","0.0003","90","","115.703","0.002","90","","773.73","0.05","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300235","12.8905","0.0002","9.38488","0.00016","7.10342","0.00013","90","","115.701","0.0011","90","","774.32","0.03","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300236","12.887","0.0003","9.3819","0.0002","7.1015","0.00017","90","","115.701","0.0014","90","","773.66","0.03","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300237","12.8858","0.0006","9.3812","0.0004","7.1013","0.0004","90","","115.703","0.003","90","","773.5","0.07","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300238","12.889","0.0002","9.38347","0.00017","7.10271","0.00014","90","","115.702","0.0011","90","","774.04","0.03","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300239","12.8856","0.0003","9.3812","0.0002","7.10114","0.00018","90","","115.697","0.0015","90","","773.5","0.04","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300240","12.8844","0.0016","9.3824","0.0012","7.1025","0.001","90","","115.709","0.008","90","","773.6","0.18","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300241","12.8887","0.0004","9.384","0.0003","7.1025","0.0002","90","","115.702","0.002","90","","774.05","0.04","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300242","12.8869","0.0006","9.3833","0.0004","7.1022","0.0004","90","","115.706","0.003","90","","773.82","0.06","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300243","12.656","0.005","9.564","0.003","7.236","0.002","90","","117.1","0.02","90","","779.7","0.5","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300244","12.885","0.002","9.3862","0.0015","7.1008","0.0014","90","","115.714","0.014","90","","773.8","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300245","12.864","0.008","9.354","0.005","7.104","0.006","90","","115.83","0.05","90","","769.4","1","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","DB5058","Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.","Implementation and use of robust refinement in powder diffraction in the presence of impurities","Journal of Applied Crystallography","2009","42","3","385","391","10.1107/S0021889809008450","","","0.698291","","","","","","","","","","","","","","","","","","has coordinates","209310","2020-10-21","18:00:00",""
"2300272","9.849","0.0002","12.3828","0.0002","3.99952","0.00007","90","","102.126","0.002","90","","476.891","0.015","298","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-amino-5-mercapto-1,2,4-triazole","","- C2 H4 N4 S -","- C2 H4 N4 S -","- C8 H16 N16 S4 -","4","1","","Pagola, Silvina; Stephens, Peter W.","<i>PSSP</i>, a computer program for the crystal structure solution of molecular materials from X-ray powder diffraction data","Journal of Applied Crystallography","2010","43","2","370","376","10.1107/S0021889810005509","powder diffraction","","1.1497","synchrotron","","","","","","","","0.06619","0.0491","1.27","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300650","8.084","0.0006","5.9051","0.0004","8.5731","0.0013","90","","123.484","0.005","90","","341.33","0.07","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.17799","","0.56","","","","","","","has coordinates","246043","2020-10-21","18:00:00",""
"2300651","7.3886","0.0014","5.6145","0.0009","8.2776","0.0026","90","","125.706","0.012","90","","278.83","0.12","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.16602","","0.5","","","","","","","has coordinates","246044","2020-10-21","18:00:00",""
"2300652","7.4494","0.0013","5.6208","0.0008","8.2917","0.0026","90","","125.494","0.011","90","","282.67","0.12","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.14248","","0.5","","","","","","","has coordinates","246045","2020-10-21","18:00:00",""
"2300653","7.6472","0.0008","5.684","0.0005","8.389","0.0017","90","","125.028","0.007","90","","298.6","0.08","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.1371","","0.6","","","","","","","has coordinates","246046","2020-10-21","18:00:00",""
"2300654","7.8031","0.0007","5.7597","0.0004","8.4596","0.0015","90","","124.507","0.006","90","","313.31","0.07","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.13049","","0.56","","","","","","","has coordinates","246047","2020-10-21","18:00:00",""
"2300655","7.5578","0.0009","5.6554","0.0006","8.3443","0.0019","90","","125.212","0.008","90","","291.4","0.09","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.17122","","0.56","","","","","","","has coordinates","246048","2020-10-21","18:00:00",""
"2300656","8.2592","0.0005","5.98351","0.00032","8.6755","0.0011","90","","122.651","0.004","90","","360.98","0.06","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.18978","","0.41","","","","","","","has coordinates","246049","2020-10-21","18:00:00",""
"2300657","7.7152","0.0008","5.7097","0.0005","8.4166","0.0014","90","","124.816","0.007","90","","304.39","0.07","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.18667","","0.48","","","","","","","has coordinates","246050","2020-10-21","18:00:00",""
"2300658","7.9917","0.0008","5.8564","0.0005","8.5502","0.0019","90","","123.777","0.007","90","","332.63","0.09","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.17068","","0.49","","","","","","","has coordinates","246051","2020-10-21","18:00:00",""
"2300659","7.8713","0.0007","5.788","0.0004","8.4908","0.0015","90","","124.076","0.006","90","","320.41","0.07","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.16297","","0.55","","","","","","","has coordinates","246052","2020-10-21","18:00:00",""
"2310003","10.7764","0.001","9.1947","0.0009","4.7788","0.0005","90","","106.87","0.02","90","","453.13","0.09","","","20","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","D,L-Serine","(±) 2-Amino-3-hydroxypropionic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","KX5007","Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander","Experimental dynamic electron densities of multipole models at different temperatures","Acta Crystallographica Section A","2012","68","5","568","581","10.1107/S0108767312029005","","","0.71073","MoKα","","0.025","0.018","","","","0.02","","","","","","1.172","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310004","10.7621","0.001","9.1771","0.0009","4.7883","0.0005","90","","106.76","0.02","90","","452.83","0.09","","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","D,L-Serine","(±) 2-Amino-3-hydroxypropionic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","KX5007","Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander","Experimental dynamic electron densities of multipole models at different temperatures","Acta Crystallographica Section A","2012","68","5","568","581","10.1107/S0108767312029005","","","0.71073","MoKα","","0.033","0.021","","","","0.022","","","","","","1.13","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310005","10.7355","0.0009","9.1456","0.0007","4.8304","0.0004","90","","106.46","0.01","90","","454.82","0.07","","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","D,L-Serine","(±) 2-Amino-3-hydroxypropionic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","KX5007","Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander","Experimental dynamic electron densities of multipole models at different temperatures","Acta Crystallographica Section A","2012","68","5","568","581","10.1107/S0108767312029005","","","0.71073","MoKα","","0.034","0.021","","","","0.024","","","","","","1.282","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310395","9.181","","12.459","","6.239","","90","","106.95","","90","","682.653","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N H4)2 Ni (S O4)2 (H2 O)6","","- H20 N2 Ni O14 S2 -","- H20 N2 Ni O14 S2 -","- H40 N4 Ni2 O28 S4 -","2","0.5","","Grimes, N. W.; Kay, H. F.; Webb, M. W.","The crystal structure of ammonium nickel sulphate hexahydrate (N H4)2 Ni (S O4)2 (H2 O)6","Acta Crystallographica (1,1948-23,1967)","1963","16","","823","829","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310407","6.507","","17.796","","8.377","","90","","96.57","","90","","963.674","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Na2 B8 O13","","- B8 Na2 O13 -","- B8 Na2 O13 -","- B32 Na8 O52 -","4","1","","Hyman, A.; Perloff, A.; Block, S.; Mauer, F.","The crystal structure of sodium tetraborate","Acta Crystallographica (1,1948-23,1967)","1967","22","","815","821","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310444","9.267","","12.445","","6.298","","90","","106.15","","90","","697.671","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N H4)2 Cu (S O4)2 (H2 O)6","","- Cu H20 N2 O14 S2 -","- Cu H20 N2 O14 S2 -","- Cu2 H40 N4 O28 S4 -","2","0.5","","Montgomery, H.; Lingafelter, E.C.","The Crystal Structure of Tutton's Salts. III. Copper Ammonium Sulfate Hexahydrate","Acta Crystallographica (1,1948-23,1967)","1966","20","","659","662","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310445","9.398","","12.742","","6.256","","90","","106.98","","90","","716.494","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N H4)2 Mn (S O4)2 (H2 O)6","","- H20 Mn N2 O14 S2 -","- H20 Mn N2 O14 S2 -","- H40 Mn2 N4 O28 S4 -","2","0.5","","Montgomery, H.; Chastain, R. V.; Lingafelter, E. C.","The Crystal Structure of Tutton's Salts. V. Manganese Ammonium Sulfate Hexahydrate","Acta Crystallographica (1,1948-23,1967)","1966","20","","731","733","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310446","9.433","","12.823","","6.286","","90","","106.87","","90","","727.629","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N H4)2 Cd (S O4)2 (H2 O)6","","- Cd H20 N2 O14 S2 -","- Cd H20 N2 O14 S2 -","- Cd2 H40 N4 O28 S4 -","2","0.5","","Montgomery, H.; Lingafelter, E.C.","The Crystal Structure of Tutton's Salts. IV. Cadmium Ammonium Sulfate Hexahydrate","Acta Crystallographica (1,1948-23,1967)","1966","20","","728","730","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310447","9.42","","12.76","","6.22","","90","","107.2","","90","","714.203","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","V (N H4)2 (S O4)2 (H2 O)6","","- H20 N2 O14 S2 V -","- H20 N2 O14 S2 V -","- H40 N4 O28 S4 V2 -","2","0.5","","Montgomery, H.; Chastain, R.V.; Lingafelter, E.C.; Natt, J.J.; Witkowska, A.M.","The Crystal Structure of Tutton's Salts. VI. Vanadium(II), Iron(II) and Cobalt(II) Ammonium Sulfate Hexahydrates","Acta Crystallographica (1,1948-23,1967)","1967","22","","775","780","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310448","9.32","","12.65","","6.24","","90","","106.8","","90","","704.284","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Fe (N H4)2 (S O4)2 (H2 O)6","","- Fe H20 N2 O14 S2 -","- Fe H20 N2 O14 S2 -","- Fe2 H40 N4 O28 S4 -","2","0.5","","Montgomery, H.; Chastain, R.V.; Natt, J.J.; Witkowska, A.M.; Lingafelter, E.C.","The Crystal Structure of Tutton's Salts. VI. Vanadium(II), Iron(II) and Cobalt(II) Ammonium Sulfate Hexahydrates","Acta Crystallographica (1,1948-23,1967)","1967","22","","775","780","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310480","6.5","","8.12","","8.52","","90","","95.07","","90","","447.926","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Na2 (S2 O3)","","- Na2 O3 S2 -","- Na2 O3 S2 -","- Na8 O12 S8 -","4","1","","Sandor, E.; Csordas, L.","The crystal structure of anhydrous sodium thiosulphate","Acta Crystallographica (1,1948-23,1967)","1961","14","","237","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310575","7.141","","14.756","","4.214","","90","","105.5","","90","","427.891","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(Zn (N2 H4)2) (N C S)2","","- C2 H8 N6 S2 Zn -","- C2 H8 N6 S2 Zn -","- C4 H16 N12 S4 Zn2 -","2","0.5","","Ferrari, A.; Braibanti, A.; Bigliardi, G.; Lanfredi, A.M.M.","The crystal structure of bis(hydrazine)zinc isothiocyanate","Acta Crystallographica (1,1948-23,1967)","1965","18","","367","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310635","9.279","","12.568","","6.253","","90","","106.82","","90","","698.018","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Zn (N H4)2 (S O4)2 (H2 O)6","","- H20 N2 O14 S2 Zn -","- H20 N2 O14 S2 Zn -","- H40 N4 O28 S4 Zn2 -","2","0.5","","Montgomery, H.; Lingafelter, E.C.","The crystal structure of Tutton's salts. I. Zinc ammonium sulfate hexahydrate","Acta Crystallographica (1,1948-23,1967)","1964","17","","1295","1299","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310704","6.54","","10.66","","6.08","","90","","103","","90","","413.012","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Na C N (H2 O)2","","- C H4 N Na O2 -","- C H4 N Na O2 -","- C4 H16 N4 Na4 O8 -","4","1","","le Bihan, M.T.","Structure du Cyanure de Sodium Hydrate","Acta Crystallographica (1,1948-23,1967)","1958","11","","770","773","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310831","6.68","","3.96","","6.55","","90","","127.9","","90","","136.721","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- N2 O2 -","- N2 O2 -","- N4 O4 -","2","0.5","","Dulmage, W.J.; Meyers, E.A.; Lipscomb, W.N.","On the Crystal and Molecular Structure of N2 O2","Acta Crystallographica (1,1948-23,1967)","1953","6","","760","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310979","12.1","","3.12","","9.36","","90","","104.33","","90","","342.364","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Mg2 (B2 O5)","","- B2 Mg2 O5 -","- B2 Mg2 O5 -","- B8 Mg8 O20 -","4","1","","Takeuchi, Y.","The crystal structure of magnesium pyroborate","Acta Crystallographica (1,1948-23,1967)","1952","5","","574","581","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2311080","6.94","","11.34","","6.13","","90","","105.25","","90","","465.441","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","H4 (Fe (C N)6)","","- C6 H4 Fe N6 -","- C6 H4 Fe N6 -","- C12 H8 Fe2 N12 -","2","0.5","","Pierrot, M.; Kern, R.; Weiss, R.","Structure cristalline de l'acide ferrocyanhydrique, H4 (Fe (C N)6)","Acta Crystallographica (1,1948-23,1967)","1966","20","","425","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311095","8.952","0.0013","6.1946","0.0005","3.4927","0.0005","90","","112.19","0.01","90","","179.34","0.04","100","","100","0.1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","diformohydrazide","diformohydrazide","","- C2 H4 N2 O2 -","- C2 H4 N2 O2 -","- C4 H8 N4 O4 -","2","0.5","KX5062","Tanaka, Kiyoaki","X-ray molecular orbital analysis. I. Quantum mechanical and crystallographic framework","Acta Crystallographica Section A","2018","74","4","345","356","10.1107/S2053273318005478","","","0.71073","MoKα","","","0.0129","","","0.0114","","","","","","","0.8288","","","","has coordinates","208875","2020-10-21","18:00:00",""
"2311993","23.1577","0.0011","6.49992","0.00021","6.49067","0.00021","90","","99.6112","0.0029","90","","963.28","0.06","300","","300","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","lithium rubidium hydrogen citrate hydrate","lithium rubidium hydrogen citrate hydrate","","- C6 H8 Li O8 Rb -","- C6 H8 Li O8 Rb -","- C24 H32 Li4 O32 Rb4 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Dilithium (citrate) crystals and their relatives.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 10","1160","1170","10.1107/S2053229618012597","powder diffraction","x-ray","0.709319","Kα~1~","","","","","","","","0.06191","","2.22","","","","","","","has coordinates","246233","2020-10-21","18:00:00",""
"2312144","23.9846","0.0009","5.09694","0.00015","10.8504","0.0004","90","","107.032","0.004","90","","1268.26","0.08","293","2","293","2","","","","","","","","12","P 1 21/a 1","-P 2yab","14","","","","- C0.14 H4.04 Al4.2 Ca4.94 K0.9 Mg0.08 Na0.45 O31.4 P0.33 S1.53 Si5.8 Sr0.09 -","- Al4 Ca5.384 K0.454 Na0.526 O31.404 S1.858 Si6 Sr0.09 -","- Al8 Ca10.768 K0.908 Na1.052 O62.808 S3.716 Si12 Sr0.18 -","2","0.5","","Zubkova, Natalia V.; Chukanov, Nikita V.; Varlamov, Dmitry A.; Vigasina, Marina F.; Pekov, Igor V.; Ksenofontov, Dmitry A.; Pushcharovsky, Dmitry Yu","New data on the crystal chemistry of the natural two-layer aluminosilicates latiumite and tuscanite.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","4","","","10.1107/S2052520623004638","","","0.71073","MoKα","","0.042","0.0309","","","0.0648","0.0691","","","","","","1.025","","","","has coordinates,has Fobs","284811","2023-07-05","02:09:32",""
"4000040","14.0195","0.0005","8.1263","0.0004","15.0153","0.0006","90","","108.207","0.002","90","","1625","0.11","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H13 N3 O6 -","- C17 H13 N3 O6 -","- C68 H52 N12 O24 -","4","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000044","18.593","0.011","9.663","0.003","10.159","0.003","90","","104.79","0.04","90","","1764.7","1.2","296","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 O S9 -","- C12 H10 O S9 -","- C48 H40 O4 S36 -","4","1","","Yamada, Jun-ichi; Oka, Rika; Mangetsu, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi","Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the σ-Bond: New Donor Components for Organic Metals","Chemistry of Materials","2001","13","5","1770","1777","10.1021/cm000842x","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000247","10.0682","0.0004","8.9121","0.0003","12.9631","0.0007","90","","90.4901","0.0015","90","","1163.1","","150","","150","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C4 H13 N O8 P2 U -","- C4 H13 N O8 P2 U -","- C16 H52 N4 O32 P8 U4 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm021711u","","","0.71073","MoKα","","","0.0254","","","","0.056","","","","","","0.8658","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000269","19.176","0.002","5.537","0.004","25.025","0.002","90","","108.77","0.01","90","","2515.8","1.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C104 H112 N16 O32 -","8","2","","","","Chemistry of Materials","2003","","","","","","","","0.7093","MoKα","","0.0613","0.04","","","0.0981","0.1056","","","","","","1.029","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000283","9.2115","0.0002","9.8729","0.0002","24.2448","0.0005","90","","90.509","0.001","90","","2204.84","0.08","175","2","175","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H35 F6 N2 P -","- C18 H35 F6 N2 P -","- C72 H140 F24 N8 P4 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm021378u","","","0.71073","MoKα","","0.062","0.04","","","0.0909","0.1013","","","","","","1.017","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000284","9.6823","0.0003","9.5159","0.0002","25.4086","0.0008","90","","94.215","0.002","90","","2334.71","0.11","300","2","300","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H35 F6 N2 P -","- C18 H35 F6 N2 P -","- C72 H140 F24 N8 P4 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm021378u","","","0.71073","MoKα","","0.2166","0.1096","","","0.3145","0.3865","","","","","","1.177","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000351","9.5721","0.0007","8.614","0.0006","12.894","0.001","90","","99.961","0.003","90","","1047.1","0.1","120","2","120","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H10 Ga N O7 P2 -","- C6 H10 Ga N O7 P2 -","- C24 H40 Ga4 N4 O28 P8 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm034745q","","x-ray","0.71073","MoKα","","0.1129","0.07","","","0.1762","0.1897","","","","","","1.203","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000451","11.4181","0.0013","7.5574","0.0008","19.0355","0.0017","90.012","0.008","97.886","0.008","89.994","0.009","1627.1","0.3","293","2","239","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H17 F6 N4 P -","- C14 H17 F6 N4 P -","- C56 H68 F24 N16 P4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0492989","","","0.71073","MoKα","","0.1013","0.0544","","","0.1363","0.1596","","","","","","0.922","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000555","9.524","0.004","9.283","0.004","11.969","0.005","90","","92.26","0.03","90","","1057.3","0.8","296.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H16 F6 -","- C28 H16 F6 -","- C56 H32 F12 -","2","0.5","","Shinji Ando; Jun-ichi Nishida; Eiichi Fujiwara; Hirokazu Tada; Youji Inoue; Shizuo Tokito; Yoshiro Yamashita","Novel p-and n-Type Organic Semiconductors with an Anthracene Unit","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000600","8.0077","0.0008","5.6402","0.0005","23.749","0.002","90","","99.215","0.002","90","","1058.78","0.17","253","2","253","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H20 S2 -","- C30 H20 S2 -","- C60 H40 S4 -","2","0.5","","","Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation","Chemistry of Materials","2005","","","","","10.1021/cm0504889","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000996","8.382","0.0005","21.511","0.0014","16.292","0.0019","90","","97.587","0.006","90","","2911.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","(MeEDO-TTF)4HCTMM","(MeEDO-TTF)4HCTMM","","- C46 H32 N6 O8 S16 -","- C46 H32 N6 O8 S16 -","- C92 H64 N12 O16 S32 -","2","0.5","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.137","0.1144","","","0.3257","0.3452","","","","","","1.374","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001297","8.7534","0.001","8.747","0.001","12.72","0.002","90","","97.63","0.01","90","","965.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C4 H14 I6 N2 Pb -","- C4 H14 I6 N2 Pb -","- C8 H28 I12 N4 Pb2 -","2","0.5","","Sourisseau, Sebastien; Louvain, Nicolas; Bi, Wenhua; Mercier, Nicolas; Rondeau, David; Boucher, Florent; Buzaré, Jean-Yves; Legein, Christophe","Reduced Band Gap Hybrid Perovskites Resulting from Combined Hydrogen and Halogen Bonding at the Organic−Inorganic Interface","Chemistry of Materials","2007","19","3","600","","10.1021/cm062380e","","x-ray","0.71073","MoKα","","","0.0339","","","","0.072","","","","","","0.961","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001429","11.6162","0.0005","17.0136","0.0008","18.6513","0.0009","90","","92.615","0.004","90","","3682.3","0.3","295","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C41 H41 Cl N4 O -","- C41 H41 Cl N4 O -","- C164 H164 Cl4 N16 O4 -","4","1","","Bouit, Pierre-Antoine; Wetzel, Guillaume; Berginc, Gérard; Loiseaux, Brigitte; Toupet, Loïc; Feneyrou, Patrick; Bretonnière, Yann; Kamada, Kenji; Maury, Olivier; Andraud, Chantal","Near IR Nonlinear Absorbing Chromophores with Optical Limiting Properties at Telecommunication Wavelengths","Chemistry of Materials","2007","19","22","5325","","10.1021/cm071557h","","","0.71069","MoKα","","0.1437","0.0573","","","0.1623","0.1813","","","","","","0.812","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001469","8.95","0.001","8.392","0.001","15.393","0.002","90","","92.268","0.003","90","","1155.2","0.2","295.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H22 I6 N2 Sn -","- C8 I6 N2 Sn -","- C16 I12 N4 Sn2 -","2","0.5","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.0734","","","","0.174","","","","","","1.926","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001537","10.219","0.0004","13.9566","0.0015","17.26","0.002","90","","90.193","0.005","90","","2461.7","0.4","293","","293","","","","","","","","synthesised by authors","5","P 1 21/a 1","-P 2yab","14","","","","- Cs2 Ga6 H5.1 O27.55 P6 -","- Cs2 Ga6 H2 O27.549 P6 -","- Cs8 Ga24 H8 O110.196 P24 -","4","1","","Lesage, J.; Guesdon, A.; Hervieu, M.; Raveau, B.","Unusual Mobility of Cesium via a Reversible Topotactic Dehydration Reaction in a New Hydroxygallophosphate with an Intersecting Tunnel Structure","Chemistry of Materials","2006","18","12","2895","","10.1021/cm060275z","","","0.71069","MoKα","","0.0911","0.0419","","","0.0396","0.0443","","","","1.33","1.33","1.17","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001598","10.69557","0.00022","11.32418","0.00022","8.49009","0.00015","90","","122.384","0.0011","90","","868.38","0.03","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- Ca Mn3 O6 -","- Ca Mn3 O6 -","- Ca8 Mn24 O48 -","8","2","","Hadermann, Joke; Abakumov, Artem M.; Gillie, Lisa J.; Martin, Christine; Hervieu, Maryvonne","Coupled Cation and Charge Ordering in the CaMn3O6Tunnel Structure","Chemistry of Materials","2006","18","23","5530","","10.1021/cm0618998","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001672","13.4677","0.0011","4.7775","0.0003","18.7642","0.0016","90","","94.002","0.005","90","","1204.38","0.16","296","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H10 F6 N2 O4 S2 -","- C30 H10 F6 N2 O4 S2 -","- C60 H20 F12 N4 O8 S4 -","2","0.5","","Ie, Yutaka; Ueta, Masashi; Nitani, Masashi; Tohnai, Norimitsu; Miyata, Mikiji; Tada, Hirokazu; Aso, Yoshio","Air-Stable n-Type Organic Field-Effect Transistors Based on 4,9-Dihydro-s-indaceno[1,2-b:5,6-b′]dithiazole-4,9-dione Unit","Chemistry of Materials","2012","24","16","3285","","10.1021/cm301985q","","","0.8","","","","0.0784","","","","0.2401","","","","","","1.084","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001874","19.12","0.002","13.9438","0.0017","23.307","0.003","90","","106.467","0.0017","90","","5958.9","1.2","296","2","296.15","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C48 H93 N2 O12 Si3 Yb -","- C48 H93 N2 O12 Si3 Yb -","- C192 H372 N8 O48 Si12 Yb4 -","4","1","","Lapadula, Giuseppe; Bourdolle, Adrien; Allouche, Florian; Conley, Matthew P.; del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Guyot, Yannick; Andraud, Chantal; Brasselet, Sophie; Copéret, Christophe; Maury, Olivier; Andersen, Richard A.","Near-IR Two Photon Microscopy Imaging of Silica Nanoparticles Functionalized with Isolated Sensitized Yb(III) Centers","Chemistry of Materials","2014","26","2","1062","","10.1021/cm404140q","","","0.71073","MOKα","","0.0779","0.0705","","","0.1515","0.1544","","","","","","1.308","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001875","19.1651","0.0017","13.9306","0.0012","23.309","0.002","90","","106.35","0.0014","90","","5971.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C48 H93 N2 O12 Si3 Y -","- C48 H93 N2 O12 Si3 Y -","- C192 H372 N8 O48 Si12 Y4 -","4","1","","Lapadula, Giuseppe; Bourdolle, Adrien; Allouche, Florian; Conley, Matthew P.; del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Guyot, Yannick; Andraud, Chantal; Brasselet, Sophie; Copéret, Christophe; Maury, Olivier; Andersen, Richard A.","Near-IR Two Photon Microscopy Imaging of Silica Nanoparticles Functionalized with Isolated Sensitized Yb(III) Centers","Chemistry of Materials","2014","26","2","1062","","10.1021/cm404140q","","","0.71073","MoKα","","0.0819","0.0756","","","0.166","0.1683","","","","","","1.274","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4002002","10.237","0.004","11.17","0.004","8.139","0.004","90","","91.51","0.02","90","","930.3","0.7","200","2","200","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Bis(N-n-butylpyrrolo[3,4-d])TTF","","","- C18 H22 N2 S4 -","- C18 H22 N2 S4 -","- C36 H44 N4 S8 -","2","0.5","","Doi, Iori; Miyazaki, Eigo; Takimiya, Kazuo; Kunugi, Yoshihito","Development ofN-Alkyl-Substituted Bis(pyrrolo[3,4-d])tetrathiafulvalenes as Organic Semiconductors for Solution-Processible Field-Effect Transistors","Chemistry of Materials","2007","19","22","5230","","10.1021/cm070956+","","","0.71069","MoKα","","0.0605","0.0444","","","0.1081","0.1168","","","","","","1.085","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002003","9.929","0.004","10.846","0.005","12.603","0.003","90","","92.511","0.001","90","","1355.9","0.9","200","2","200","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Bis(N-n-octylpyrrolo[3,4-d])TTF","","","- C26 H38 N2 S4 -","- C26 H38 N2 S4 -","- C52 H76 N4 S8 -","2","0.5","","Doi, Iori; Miyazaki, Eigo; Takimiya, Kazuo; Kunugi, Yoshihito","Development ofN-Alkyl-Substituted Bis(pyrrolo[3,4-d])tetrathiafulvalenes as Organic Semiconductors for Solution-Processible Field-Effect Transistors","Chemistry of Materials","2007","19","22","5230","","10.1021/cm070956+","","","0.71069","MoKα","","0.0419","0.0339","","","0.096","0.1016","","","","","","1.021","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002006","19.879","0.011","17.167","0.008","25.55","0.01","90","","112.315","0.003","90","","8066","7","90.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H48 N Ni S8 Se4 -","- C32 H48 N Ni S8 Se4 -","- C256 H384 N8 Ni8 S64 Se32 -","8","2","","Fujiwara, Emiko; Yamamoto, Kimiko; Shimamura, Mina; Zhou, Biao; Kobayashi, Akiko; Takahashi, Kazuyuki; Okano, Yoshinori; Cui, Hengbo; Kobayashi, Hayao","(nBu4N)[Ni(dmstfdt)2]: A Planar Nickel Coordination Complex with an Extended-TTF Ligand Exhibiting Metallic Conduction, Metal‒Insulator Transition, and Weak Ferromagnetism","Chemistry of Materials","2007","19","3","553","","10.1021/cm062131q","","","0.7107","MoKα","","","0.1","","","","0.131","","","","","","1.344","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002204","6.0866","0.0001","7.8111","0.0001","42.5972","0.0007","90","","91.8394","0.0007","90","","2024.16","0.05","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C25 H22 S2 -","- C25 H22 S2 -","- C100 H88 S8 -","4","1","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","1.54187","CuKα","","0.1132","0.0691","","","0.1837","0.2272","","","","","","1.016","","","","has coordinates","140080","2020-10-21","18:00:00",""
"4002206","6.0957","0.0001","7.8022","0.0001","44.243","0.003","90","","93.5107","0.0007","90","","2100.24","0.15","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H24 S2 -","- C26 H24 S2 -","- C104 H96 S8 -","4","1","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","1.5527","synchrotron","","0.1177","0.0756","","","0.2075","0.2299","","","","","","0.916","","","","has coordinates","140080","2020-10-21","18:00:00",""
"4002207","6.0861","0.0002","7.804","0.0003","49.128","0.001","90","","97.199","0.001","90","","2314.99","0.13","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H28 S2 -","- C28 H28 S2 -","- C112 H112 S8 -","4","1","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","1.5528","synchrotron","","0.0839","0.0771","","","0.2264","0.244","","","","","","1.15","","","","has coordinates","140080","2020-10-21","18:00:00",""
"4002215","11.573","0.0015","12.8479","0.0016","6.9092","0.0009","90","","107.053","0.002","90","","982.2","0.2","155","","155","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H14 N4 -","- C26 H14 N4 -","- C52 H28 N8 -","2","0.5","","Yokokura, Seiya; Takahashi, Yukihiro; Nonaka, Hiroki; Hasegawa, Hiroyuki; Harada, Jun; Inabe, Tamotsu; Kumai, Reiji; Okamoto, Hiroshi; Matsushita, Michio M.; Awaga, Kunio","Switching of Transfer Characteristics of an Organic Field-Effect Transistor by Phase Transitions: Sensitive Response to Molecular Dynamics and Charge Fluctuation","Chemistry of Materials","2015","27","12","4441","","10.1021/acs.chemmater.5b01383","","","0.71073","MoKα","","0.0552","0.0413","","","0.1217","0.1331","","","","","","1.094","","","","has coordinates,has disorder","139985","2020-10-21","18:00:00",""
"4002734","8.191","0.0009","5.8764","0.0005","32.111","0.003","90","","92.698","0.003","90","","1543.9","0.3","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 S2 -","- C18 H16 S2 -","- C72 H64 S8 -","4","1","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.71075","MoKα","","0.1698","0.0478","","","0.0879","0.1185","","","","","","0.871","","","","has coordinates","192857","2020-10-21","18:00:00",""
"4002737","7.8271","0.0004","8.3402","0.0004","12.3259","0.0007","90","","108.838","0.0015","90","","761.53","0.07","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 S2 -","- C18 H16 S2 -","- C36 H32 S4 -","2","0.5","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.7093","MoKα","","0.0835","0.0446","","","0.1225","0.1479","","","","","","1.101","","","","has coordinates","192860","2020-10-21","18:00:00",""
"4002851","27.3847","0.001","5.01906","0.00016","17.1935","0.0006","90","","97.3103","0.002","90","","2343.96","0.14","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H22 Cl N3 O5 -","- C25 H22 Cl N3 O5 -","- C100 H88 Cl4 N12 O20 -","4","1","","Dmytro V. Dudenko; P. Andrew Williams; Colan E. Hughes; Oleg N. Antzutkin; Sitaram P. Velaga; Steven P. Brown; Kenneth D. M. Harris","Exploiting the Synergy of Powder X-ray Diffraction and Solid-State NMR Spectroscopy in Structure Determination of Organic Molecular Solids","The Journal of Physical Chemistry. C, Nanomaterials and Interfaces","2013","13","","12258","12265","10.1021/jp4041106","powder diffraction","","","","","","","","","","","","","1.33","","","","","","","has coordinates","201403","2020-10-21","18:00:00",""
"4003158","6.128","0.0015","7.5805","0.0019","28.009","0.007","90","","94.509","0.007","90","","1297.1","0.6","100","2","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C38 H20 S4 -","- C38 H20 S4 -","- C76 H40 S8 -","2","0.5","","Abe, Masahiro; Mori, Takamichi; Osaka, Itaru; Sugimoto, Kunihisa; Takimiya, Kazuo","Thermally, Operationally, and Environmentally Stable Organic Thin-Film Transistors Based on Bis[1]benzothieno[2,3-d:2′,3′-d′]naphtho[2,3-b:6,7-b′]dithiophene Derivatives: Effective Synthesis, Electronic Structures, and Structure‒Property Relationship","Chemistry of Materials","2015","27","14","5049","","10.1021/acs.chemmater.5b01608","","","0.6997","synchrotron","","0.1377","0.0803","","","0.1875","0.2287","","","","","","1.182","","","","has coordinates","231399","2020-10-21","18:00:00",""
"4020133","8.607","0.003","9.146","0.003","15.608","0.002","90","","90.8","0.02","90","","1228.5","0.6","20","","193","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","?","- C312 H378 Cl46 N32 O96 P8 Si8 -","- C312 H378 Cl46 N32 O96 P8 Si8 -","","","","Li Liu; Qian Chen; Yun-Dong Wu; Chaozhong Li","","Journal of Organic Chemistry","2005","70","","1539","1544","10.1021/jo0481349","","","0.71073","MoKα","","0.1078","0.0614","","","0.1258","0.1454","","","","","","1.001","","","","has coordinates,has disorder","201202","2020-10-21","18:00:00",""
"4020220","8.1622","0.0014","25.266","0.002","8.8758","0.0011","90","","115.558","0.012","90","","1651.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H17 N -","- C22 H17 N -","- C88 H68 N4 -","4","1","","Fátima Churruca; Raul San Martín; Mónica Carril; Urtiaga, M.K.; Xavier Solans.; Imanol Tellitu; Esther Domínguez","","Journal of Organic Chemistry","2005","70","","3178","3187","10.1021/jo0501036","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020275","17.48","0.02","9.14","0.02","26.13","0.01","90","","107.25","0.06","89","","3987","5","173.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C14 H14 Se7 -","- C28 H28 Se14 -","- C224 H224 Se112 -","8","2","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020276","10.258","0.006","8.901","0.005","12.501","0.005","90","","97.71","0.04","90","","1131","1","173.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H16 Se8 -","- C16 H16 Se8 -","- C32 H32 Se16 -","2","0.5","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020278","18.561","0.008","10.596","0.005","9.523","0.003","90","","90.92","0.03","90","","1872","1","173.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 Ag F3 O2 Se5 -","- C12 H10 Ag F3 O2 Se5 -","- C48 H40 Ag4 F12 O8 Se20 -","4","1","","Toshio Shimizu; Mari Kawaguchi; Takahiro Tsuchiya; Kazunori Hirabayashi; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5036","5044","10.1021/jo0502807","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020337","16.757","0.001","10.0442","0.0007","22.95","0.002","90","","98.946","0.004","90","","3815.7","0.5","296.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C13 H20 F3 O3 P S2 Se -","- C13 H20 F3 O3 P S2 Se -","- C104 H160 F24 O24 P8 S16 Se8 -","8","2","","Tsutomu Kimura; Toshiaki Murai; Akihiro Miwa; Daisuke Kurachi; Haruhisa Yoshikawa; Shinzi Kato","","Journal of Organic Chemistry","2005","70","","5611","5617","10.1021/jo050576c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020399","12.5015","0.0008","35.409","0.002","14.2168","0.001","90","","110.7","0.008","90","","5887.1","0.7","200","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C59 H75 N3 O4 S5 -","- C59 H73 N3 O4 S5 -","- C236 H292 N12 O16 S20 -","4","1","","Bang-Tun Zhao; María-Jesús Blesa; Nicolas Mercier; Franck Le Derf; Marc Sallé","","Journal of Organic Chemistry","2005","70","","6254","6257","10.1021/jo0505876","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178381","2020-10-21","18:00:00",""
"4020522","15.503","0.005","8.505","0.002","16.954","0.003","90","","100.37","0.02","90","","2198.97","","288.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms","Journal of Organic Chemistry","2005","70","","8364","8371","10.1021/jo050992x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020582","12.763","0.002","3.8089","0.0007","12.881","0.002","90","","104.416","0.018","90","","606.48","0.19","100","1","100","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H8 Br2 N2 O2 -","- C12 H8 Br2 N2 O2 -","- C24 H16 Br4 N4 O4 -","2","0.5","","Ivan Halasz; Ernest Meštrović; Helena Čičak; Zlatko Mihalić; Hrvoj Vančik","Solid-State Reaction Mechanisms in Monomer-Dimer Interconversions of p-Bromonitrosobenzene. Single-Crystal-to-Single-Crystal Photodissociation and Formation of New Non-van der Waals Close Contacts","Journal of Organic Chemistry","2005","70","","8461","8467","10.1021/jo051236u","","","","","","","","","","","","","","","","","","","","","has coordinates","178383","2020-10-21","18:00:00",""
"4020588","8.323","","25.216","","10.559","","90","","104.92","","90","","2141.3","","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H19 O7 S -","- C26 H19 O7 S -","- C104 H76 O28 S4 -","4","1","","Asit Patra; Pallab Pahari; Sutapa Ray; Dipakranjan Mal","A Brief and Convergent Synthetic Route to Defucogilvocarcin M Chromophore: The Formal Synthesis of WS-5995 A and C","Journal of Organic Chemistry","2005","70","","9017","9020","10.1021/jo0512960","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020622","15.503","0.005","8.505","0.002","16.954","0.003","90","","100.37","0.02","90","","2198.97","","288.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Ken Kokubo; Takuya Koizumi; Kenji Harada; Eiko Mochizuki; Takumi Oshima","Site Selectivity Switch in Lewis Acid Catalysis. Mechanism and Kinetic Simulation of Skeletal Rearrangement of Cyclobutene-Fused Homoquinones","Journal of Organic Chemistry","2005","70","","7776","7779","10.1021/jo051399i","","","","","","","","","","","","","","","","","","","","","has coordinates","178384","2020-10-21","18:00:00",""
"4020718","11.847","0.008","8.94","0.007","19.015","0.006","90","","93.27","0.04","90","","2010","1","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 Br Cl O4 -","- C20 H20 Br Cl O4 -","- C80 H80 Br4 Cl4 O16 -","4","1","","Srinivasarao Arulananda Babu; Makoto Yasuda; Ikuya Shibata; Akio Baba","In- or In(I)-Employed Tailoring of the Stereogenic Centers in the Reformatsky-Type Reactions of Simple Ketones, α-Alkoxy Ketones, and β-Keto Esters","Journal of Organic Chemistry","2005","70","","10408","10419","10.1021/jo051659w","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020727","30.895","0.003","5.5887","0.0007","7.818","0.001","90","","93.066","0.009","90","","1348","0.3","198.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H12 F3 N O -","- C17 F3 N O -","- C68 F12 N4 O4 -","4","1","","Tsutomu Konno; Jungha Chae; Tomotsugu Miyabe; Takashi Ishihara","Regioselective One-Step Synthesis of 4-Fluoroalkylated Isoquinolines via Carbopalladation Reaction of Fluorine-Containing Alkynes","Journal of Organic Chemistry","2005","70","","10172","10174","10.1021/jo051700v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020732","8.476","0.009","12.54","0.01","18.38","0.01","90","","95.71","0.08","90","","1943","3","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C96 H84 N4 O16 -","4","1","","Hiroyuki Suga; Yasutaka Ebiura; Kazuaki Fukushima; Akikazu Kakehi; Toshihide Baba","Efficient Catalytic Effects of Lewis Acids in the 1,3-Dipolar Cycloaddition Reactions of Carbonyl Ylides with Imines","Journal of Organic Chemistry","2005","70","","10782","10791","10.1021/jo051743b","","","","","","","","","","","","","","","","","","","","","has coordinates","178385","2020-10-21","18:00:00",""
"4021006","12.644","0.001","12.974","0.001","14.0462","0.0009","90","","99.205","0.001","90","","2274.4","0.3","296.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021008","13.085","0.002","8.907","0.002","18.254","0.003","90","","95.486","0.005","90","","2117.9","0.6","223.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H28 O2 -","- C27 H28 O2 -","- C108 H112 O8 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021009","30.28","0.01","9.475","0.007","11.233","0.006","90","","93.86","0.04","90","","3215","3","298","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","?","- C40 H28 O3 -","- C160 H112 O12 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","0.083","","","0.095","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021012","15.2418","0.0008","8.2652","0.0004","17.7642","0.0009","90","","94.232","0.001","90","","2231.8","0.2","296.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima","Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids","Journal of Organic Chemistry","2004","69","","4577","4585","10.1021/jo035830k","","","","","","","","","","","","","","","","","","","","","has coordinates","178388","2020-10-21","18:00:00",""
"4021067","8.864","0.005","14.597","0.005","10.9","0.004","90","","108.36","0.03","90","","1338.6","0.9","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Yuji Matsuya; Kazushige Sasaki; Mamiko Nagaoka; Hiroko Kakuda; Naoki Toyooka; Nobuko Imanishi; Hiroshi Ochiai; Hideo Nemoto","Synthesis of a New Class of Furan-Fused Tetracyclic Compounds Using o-Quinodimethane Chemistry and Investigation of Their Antiviral Activity","Journal of Organic Chemistry","2004","69","","7989","7993","10.1021/jo0486995","","","","","","","0.0449","","","0.0583","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021107","9.9726","0.0006","12.5133","0.0006","10.5966","0.0007","90","","110.642","0.002","90","","1237.5","0.1","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Naoki Kise; Kengo Ohya; Kie Arimoto; Yutaka Yamashita; Yuuki Hirano; Tadahiro Ono; Nasuo Ueda","Electroreductive Intramolecular Coupling of Aromatic β- and γ-Imino Esters: A New Synthetic Method for N-Alkoxycarbonyl-2-aryl-3-ones and cis-2-Aryl-3-ols of Pyrrolidines and Piperidines","Journal of Organic Chemistry","2004","69","","7710","7719","10.1021/jo0488917","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021109","15.495","0.004","10.946","0.003","15.325","0.003","90","","27.877","0.005","90","","1215.3","0.5","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Naoki Kise; Kengo Ohya; Kie Arimoto; Yutaka Yamashita; Yuuki Hirano; Tadahiro Ono; Nasuo Ueda","Electroreductive Intramolecular Coupling of Aromatic β- and γ-Imino Esters: A New Synthetic Method for N-Alkoxycarbonyl-2-aryl-3-ones and cis-2-Aryl-3-ols of Pyrrolidines and Piperidines","Journal of Organic Chemistry","2004","69","","7710","7719","10.1021/jo0488917","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021230","8.1918","0.0003","11.178","0.0005","13.5924","0.0007","90","","96.492","0.0019","90","","1236.65","0.1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H10 N2 O2 -","- C16 H10 N2 O2 -","- C64 H40 N8 O8 -","4","1","","Amit Basak; Subhendu Sekhar Bag; Pooja Anjali Majumder; Amit Kumar Das; Valerio Bertolasi","Effect of Remote Trigonal Carbons on the Kinetics of Bergman Cyclization: Synthesis and Chemical Reactivity of Pyridazinedione-Based Enediynes","Journal of Organic Chemistry","2004","69","","6927","6930","10.1021/jo049396d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021287","12.9473","0.0004","7.4923","0.0004","16.76","0.001","90","","102.063","0.003","90","","1589.9","0.1","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H17 N O Se -","- C18 H17 N O Se -","- C72 H68 N4 O4 Se4 -","4","1","","Yoshiaki Asanuma; Shin-ichi Fujiwara; Tsutomu Shin-ike; Nobuaki Kambe","Selenoimidoylation of Alcohols with Selenium and Isocyanides and Its Application to the Synthesis of Selenium-Containing Heterocycles","Journal of Organic Chemistry","2004","69","","4845","4848","10.1021/jo0496704","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021315","14.368","0.002","18.072","0.002","12.858","0.002","90","","105.244","0.009","90","","3221.3","0.7","298.2","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C42 H40 -","- C42 H35 -","- C168 H140 -","4","1","","Xin Zhou; Zhiping Li; Hui Wang; Masanori Kitamura; Ken-ichiro Kanno; Kiyohiko Nakajima; Tamotsu Takahashi","Novel Synthetic Route to Octasubstituted Naphthalenes from Four Alkynes and One Olefin Unit via Zirconacyclopentadienes and 1,2-Diiodo-3,4,5,6-tetraalkylbenzene","Journal of Organic Chemistry","2004","69","","4559","4562","10.1021/jo0497297","","","","","","","","","","","","","","","","","","","","","has coordinates","178391","2020-10-21","18:00:00",""
"4021367","10.0907","0.0002","5.1112","0.0002","17.8226","0.0008","90","","99.626","0.002","90","","906.27","0.06","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C36 H48 N8 O4 -","4","1","","Arnaud Salaün; Annaïck Favre; Barbara Le Grel; Michel Potel; Philippe Le Grel","Conformation of N^α^-Substituted Hydrazino Acetamides in CDCl~3~, he Precious Help of the Analysis of Δδ between Amidic Hydrogens, and Correlation to the Conformation of Aza-β^3^-peptides","Journal of Organic Chemistry","2006","71","","150","158","10.1021/jo051887q","","x-ray","0.71069","MoKα","","0.0825","0.0553","","","0.1507","0.1692","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021378","15.8732","0.0003","13.5038","0.0003","16.9982","0.0003","90","","99.468","0.002","90","","3593.9","0.1","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C180 H144 N24 O12 -","12","3","","Pavel Hradil; Martin Grepl; Jan Hlaváč; Miroslav Soural; Michal Maloň; Valerio Bertolasi","Some New Routes for the Preparation of 3-Amino-2-phenyl- 4(1H)-quinolinones from Anthranilamides","Journal of Organic Chemistry","2006","71","","819","822","10.1021/jo051303k","","","0.71073","MoKα","","0.1226","0.0593","","","0.1364","0.1707","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021557","15.937","0.005","7.227","0.003","10.649","0.003","90","","91","0.02","90","","1226.3","0.7","295","2","295","2","","","","","","","see text","3","P 1 21/a 1","-P 2yab","14","Hypodermin B","1RS-Hydroxy-6,6-dimethyl-7,8-dihydronaphtho[1,2-c]furan-3,9(1H,6H)-dione","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","","Luke C. Henderson; Wendy A. Loughlin; Ian D. Jenkins; Peter C. Healy; Marc R. Campitelli","Efficient Formal Synthesis of (±)-Hyphodermin B","Journal of Organic Chemistry","2006","71","","2384","2388","10.1021/jo052485l","","","0.71069","MoKα","","0.1238","0.0666","","","0.1823","0.2182","","","","","","1.035","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021642","5.7154","0.0004","28.899","0.002","7.9525","0.0006","90","","101.967","0.003","90","","1285","0.2","200","","200","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.1643","0.0729","","0.0807","","0.0672","","","1.689","","","1.898","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021677","10.9945","0.0008","15.532","0.001","19.61","0.001","90","","103.689","0.0009","90","","3253.5","0.4","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C39 H40 N2 O5 -","- C39 H40 N2 O5 -","- C156 H160 N8 O20 -","4","1","","Masahiro Horiguchi; Yoshikatsu Ito","Unsymmetrical Photodimerization of a 9-Aminomethylanthracene in the Crystalline Salt","Journal of Organic Chemistry","2006","71","","3608","3611","10.1021/jo060315i","","","0.7107","MoKα","","","0.08","","","","0.2146","","","","","","1.769","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021753","8.061","0.004","24.011","0.01","15.935","0.007","90","","104.634","0.0015","90","","2984","2","123.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C72 H68 N4 O14 -","- C72 H68 N4 O14 -","- C144 H136 N8 O28 -","2","0.5","","Shin-ichiro Kato; Taisuke Matsumoto; Keiko Ideta; Toshiaki Shimasaki; Kenta Goto; Teruo Shinmyozu","Supramolecular Assemblies and Redox Modulation of Pyromellitic Diimide-Based Cyclophane via Noncovalent Interactions with Naphthol","Journal of Organic Chemistry","2006","71","","4723","4733","10.1021/jo0600196","","","0.7107","MoKα","","","0.0478","","","","0.1297","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021826","9.35","0.003","20.265","0.006","9.956","0.003","90","","113.142","0.0011","90","","1734.6","1","123.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H21 O4 P -","- C19 H21 O4 P -","- C76 H84 O16 P4 -","4","1","","Yoshihiro Matano; Tooru Miyajima; Takashi Nakabuchi; Yuichiro Matsutani; Hiroshi Imahori","A Convenient Method for the Synthesis of 2,5-Difunctionalized Phospholes Bearing Ester Groups","Journal of Organic Chemistry","2006","71","","5792","5795","10.1021/jo0605748","","","0.7107","MoKα","","","0.0503","","","","0.1221","","","","","","1.161","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021886","16.09","0.007","10.544","0.004","17.881","0.007","90","0.0015","104.605","0.0017","90","0.0015","2936","2","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H26 Cl2 O8 -","- C36 H26 Cl2 O8 -","- C144 H104 Cl8 O32 -","4","1","","Terunobu Saitoh; Suguru Yoshida; Junji Ichikawa","Naphthalene-1,8-diylbis(diphenylmethylium) as an Organic Two-Electron Oxidant: Benzidine Synthesis via Oxidative Self-Coupling of N,N-Dialkylanilines","Journal of Organic Chemistry","2006","71","","6414","6419","10.1021/jo060662s","","","0.7107","MoKα","","0.0593","0.0527","","","0.142","0.1467","","","","","","1.054","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021900","8.3006","0.0002","10.7427","0.0002","14.3728","0.0004","90","","95.137","0.001","90","","1276.49","0.05","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound X","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Laura A. McAllister; Kristy L. Turner; Stephen Brand; Mark Stefaniak; David J. Procter","Solid Phase Approaches to N-Heterocycles Using a Sulfur Linker Cleaved by SmI~2~","Journal of Organic Chemistry","2006","71","","6497","6507","10.1021/jo060940n","","","0.71073","MoKα","","0.0555","0.0425","","","0.1064","0.1146","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022001","12.517","0.003","10.304","0.002","19.366","0.003","90","","104.76","0.04","90","","2415.3","1","298.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H32 O4 Si2 -","- C24 H32 O4 Si2 -","- C96 H128 O16 Si8 -","4","1","","Tamotsu Takahashi; Shi Li; Wenying Huang; Fanzhi Kong; Kiyohiko Nakajima; Baojian Shen; Takahiro Ohe; Ken-ichiro Kanno","Homologation Method for Preparation of Substituted Pentacenes and Naphthacenes","Journal of Organic Chemistry","2006","71","","7967","7977","10.1021/jo060923y","","","0.7107","MoKα","","","0.0436","","","","0.0676","","","","","","1.402","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022270","6.154","0.001","21.446","0.005","7.486","0.002","90","","99.62","0.02","90","","974.1","0.4","20","","20","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","?","- C32 H52 I4 O8 -","- C32 H52 I4 O8 -","","","","Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li","On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates","Journal of Organic Chemistry","2002","67","","8481","8488","10.1021/jo026381b","","","0.7107","MoKalpha","","","0.043","","","0.054","","","","","2.24","2.24","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022272","9.241","0.003","10.113","0.003","11.632","0.003","90","","95.18","0.02","90","","1082.6","0.5","20","","20","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","?","- C36 H60 I4 O8 -","- C36 H60 I4 O8 -","","","","Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li","On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates","Journal of Organic Chemistry","2002","67","","8481","8488","10.1021/jo026381b","","","0.7107","MoKalpha","","","0.057","","","0.066","","","","","2.59","2.59","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022296","12.9071","0.0005","6.4873","0.0002","19.0794","0.0008","90","","99.547","0.001","90","","1575.43","0.1","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H21 N O2 S2 -","- C15 H21 N O2 S2 -","- C60 H84 N4 O8 S8 -","4","1","","Calum Macleod; Gordon J. McKiernan; Emma J. Guthrie; Louis J. Farrugia; Dieter W. Hamprecht; Jackie Macritchie; Richard C. Hartley","Synthesis of 2-Substituted Benzofurans and Indoles Using Functionalized Titanium Benzylidene Reagents on Solid Phase","Journal of Organic Chemistry","2003","68","","387","401","10.1021/jo026384o","","x-ray","0.71073","MoKα","","0.0623","0.0465","","","0.1076","0.1126","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022332","15.6985","0.0002","17.2437","0.0002","27.4997","0.0005","90","","92.4291","0.0005","90","","7437.49","0.19","150","","150","","","","","","","","Synthesised as described.","4","P 1 21/a 1","-P 2yab","14","","","","- C72 H117 N3 Si4 -","- C72 H117 N3 Si4 -","- C288 H468 N12 Si16 -","4","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","0.2101","0.1731","","0.1239","0.1156","0.1045","","","","","","1.2502","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022346","13.8549","0.0002","6.3197","0.0001","16.6171","0.0004","90","","96.118","0.001","90","","1446.69","0.05","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","1-N-ethyl-2-phenylthiocarbamoyl-2-methyl-piperazin-3-one","","- C14 H19 N3 O S -","- C14 H19 N3 O S -","- C56 H76 N12 O4 S4 -","4","1","","Barbara Zaleska; Robert Socha; Marcin Karelus; Edward Szneler; Jacek Grochowski; Paweł Serda","Synthesis of 1,4-Diazines by Ring Expansion of 1,3-Diazines","Journal of Organic Chemistry","2003","68","","2334","2337","10.1021/jo026756t","","","0.71073","MoKα","","0.0589","0.0441","","","0.1163","0.1272","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022577","7.838","0.001","31.118","0.006","7.7767","0.0009","90","","45.306","0.008","90","","1348.3","0.4","198.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Yuichi Sawada; Takashi Mori; Akira Oku","Carbon-Carbon Bond Formation Reaction of Ethereal Oxonium Ylides via Metal-Enolate Intermediates","Journal of Organic Chemistry","2003","68","","10040","10045","10.1021/jo035272+","","","1.5418","CuKα","","","0.071","","","","0.186","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022636","8.199","0.002","16.132","0.003","19.52","0.004","90","","91.19","0.02","90","","2581.2","0.8","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H45 N O3 -","- C26 H45 N O3 -","- C104 H180 N4 O12 -","4","1","","Pascale Cividino; Sandrine Py; Philippe Delair; Andrew E. Greene","1-(2,4,6-Triisopropylphenyl)ethylamine: A New Chiral Auxiliary for the Asymmetric Synthesis of γ-Amino Acid Derivatives","Journal of Organic Chemistry","2007","72","","485","493","10.1021/jo061976i","","","1.5418","CuKα","","0.0617","0.0617","","0.0779","","0.0779","","","1.988","","","1.988","","","","has coordinates","193994","2020-10-21","18:00:00",""
"4022685","12.844","0.005","14.204","0.005","13.953","0.003","90","","101.11","0.02","90","","2497.8","1.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C29 H28 Cl2 O3 -","- C29 H28 Cl2 O3 -","- C116 H112 Cl8 O12 -","4","1","","Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Srinivasarao Arulananda Babu; Eringathodi Suresh","Anomalous Reaction of Rh~2~(OAc)~4~-Generated Transient Carbonyl Ylides: Chemoselective Synthesis of Epoxy-Bridged Tetrahydropyranone, Oxepanone, Oxocinone, and Oxoninone Ring Systems","Journal of Organic Chemistry","2007","72","","1252","1262","10.1021/jo0621726","","","0.7107","","","0.0689","0.0397","","","0.1059","0.1134","","","","","","1.051","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022686","12.512","0.005","14.172","0.005","13.4","0.007","90","","96.73","0.04","90","","2359.7","1.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C27 H26 Cl2 O3 -","- C27 H26 Cl2 O3 -","- C108 H104 Cl8 O12 -","4","1","","Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Srinivasarao Arulananda Babu; Eringathodi Suresh","Anomalous Reaction of Rh~2~(OAc)~4~-Generated Transient Carbonyl Ylides: Chemoselective Synthesis of Epoxy-Bridged Tetrahydropyranone, Oxepanone, Oxocinone, and Oxoninone Ring Systems","Journal of Organic Chemistry","2007","72","","1252","1262","10.1021/jo0621726","","","0.7093","Mokα","","0.0792","0.0522","","","0.15","0.1607","","","","","","1.011","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022706","7.8209","0.0003","16.504","0.0007","9.119","0.0003","90","","112.812","0.0008","90","","1084.98","0.07","113.2","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C30 H34 -","- C30 H34 -","- C60 H68 -","2","0.5","","Masahiko Shibahara; Motonori Watanabe; Tetsuo Iwanaga; Keiko Ideta; Teruo Shinmyozu","Synthesis, Structure, and Transannular π-π Interaction of Multilayered [3.3]Metacyclophanes","Journal of Organic Chemistry","2007","72","","2865","2877","10.1021/jo062220m","","","0.7107","MoKα","","","0.0435","","","","0.1235","","","","","","1.682","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022707","29.2281","","11.349","0.0001","29.134","","90","","18.4827","0.0002","90","","3063.67","0.05","123.2","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C42 H48 -","- C42 H48 -","- C168 H192 -","4","1","","Masahiko Shibahara; Motonori Watanabe; Tetsuo Iwanaga; Keiko Ideta; Teruo Shinmyozu","Synthesis, Structure, and Transannular π-π Interaction of Multilayered [3.3]Metacyclophanes","Journal of Organic Chemistry","2007","72","","2865","2877","10.1021/jo062220m","","","0.7107","MoKα","","","0.0424","","","","0.1215","","","","","","1.399","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023221","12.498","0.003","8.232","0.003","12.746","0.003","90","","109.81","0.02","90","","1233.7","0.6","180","1","180","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H15 Cl O2 -","- C13 H15 Cl O2 -","- C52 H60 Cl4 O8 -","4","1","","Bernd Schetter; Burkhard Ziemer; Gregor Schnakenburg; Rainer Mahrwald","Tetranuclear BINOL-Titanium Complex in Selective Direct Aldol Additions","Journal of Organic Chemistry","2008","73","","813","819","10.1021/jo7014054","","","0.71073","MoKα","","0.0604","0.0442","","","0.1104","0.1258","","","","","","1.108","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023296","7.4092","0.0006","18.552","0.002","10.841","0.001","90","","107.867","0.008","90","","1418.3","0.3","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H11 F4 N O -","- C17 H11 F4 N O -","- C68 H44 F16 N4 O4 -","4","1","","Tsuyoshi Hosokawa; Akemi Matsumura; Toshimasa Katagiri; Kenji Uneyama","One-Pot Synthesis of 3-Fluoro-4-(trifluoromethyl)quinolines from Pentafluoropropen-2-ol and Their Molecular Modification","Journal of Organic Chemistry","2008","73","","1468","1474","10.1021/jo702568z","","","0.7107","MoKα","","","0.0788","","","","0.1189","","","","","","1.198","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023413","10.3209","0.0006","17.6689","0.0009","12.0767","0.0007","90","","98.913","0.005","90","","2175.7","0.2","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C23 H31 N5 O -","- C23 H33 N5 O -","- C92 H132 N20 O4 -","4","1","","Ahmad Shaabani; Ali Maleki; Hamid Mofakham; Jafar Moghimi-Rad","A Novel One-Pot Pseudo-Five-Component Synthesis of 4,5,6,7-Tetrahydro-1H-1,4-diazepine-5-carboxamide Derivatives","Journal of Organic Chemistry","2008","73","","3925","3927","10.1021/jo8002612","","","0.71073","MoKα","","0.0918","0.083","","","0.179","0.1847","","","","","","1.17","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023484","8.376","0.002","23.27","0.006","12.566","0.003","90","","98.76","0.02","90","","2420.5","1.1","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H23 N3 O4 -","- C28 H23 N3 O4 -","- C112 H92 N12 O16 -","4","1","","Hajime Abe; Hiroshi Machiguchi; Shinya Matsumoto; Masahiko Inouye","Saccharide Recognition-Induced Transformation of Pyridine-Pyridone Alternate Oligomers from Self-Dimer to Helical Complex","Journal of Organic Chemistry","2008","73","","4650","4661","10.1021/jo800599w","","","1.54187","CuKα","","","0.047","","","","0.1644","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023515","19.5654","0.0006","7.7672","0.0004","19.9017","0.0006","90","","92.6734","0.0013","90","","3021.1","0.2","120","","120","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H27.02 N6 O10 -","- C28 H27.022 N6 O10 -","- C112 H108.088 N24 O40 -","4","1","","Ina Bolz; Chulsoon Moon; Volker Enkelmann; Gunther Brunklaus; Stefan Spange","Probing Molecular Recognition in the Solid-State by Use of an Enolizable Chromophoric Barbituric Acid","Journal of Organic Chemistry","2008","73","","4783","4793","10.1021/jo800598z","","","0.71073","MoKα","","0.0661","0.0661","","0.0672","0.0674","0.0674","","","","","","0.9429","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023609","19.1313","0.0015","11.0597","0.0009","22.016","0.0017","90","","91.234","0.002","90","","4657.2","0.7","273.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C46 H48 Cl2 Ge N2 O2 -","- C46 H48 Cl2 Ge N2 O2 -","- C184 H192 Cl8 Ge4 N8 O8 -","4","1","","Shin-ya Tanaka; Nobuo Tagashira; Kouji Chiba; Makoto Yasuda; Akio Baba","Germanium(II)-Mediated Reductive Cross-Aldol Reaction of Bromoaldehydes with Aldehydes: NMR Studies and ab Initio Calculations","Journal of Organic Chemistry","2008","73","","6312","6320","10.1021/jo800904u","","","0.71075","MoKα","","","0.1799","","","","0.198","","","","","","15.755","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4023765","8.4033","0.0006","10.5626","0.0008","13.6778","0.0012","90","","93.253","0.005","90","","1212.1","0.17","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","[2,2']Bi[thieno[3,2-b]thiophenyl] 4,4-dioxide","","- C12 H6 O2 S4 -","- C12 H6 O2 S4 -","- C48 H24 O8 S16 -","4","1","","Lidaris San Miguel; Adam J. Matzger","Regiochemical Effects of Sulfur Oxidation on the Electronic and Solid-State Properties of Planarized Oligothiophenes Containing Thieno[3,2-b]thiophene Units","Journal of Organic Chemistry","2008","73","","7882","7888","10.1021/jo801619q","","","1.54187","CuKα","","0.0327","0.031","","","0.0833","0.0844","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023766","6.09905","0.00015","16.4375","0.0006","6.54633","0.00018","90","","102.879","0.002","90","","639.78","0.03","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","T2O2-O2T2","2,2'-bithieno[3,2-b]thiophene 1,1,1',1'-tetraoxide","","- C12 H6 O4 S4 -","- C12 H6 O4 S4 -","- C24 H12 O8 S8 -","2","0.5","","Lidaris San Miguel; Adam J. Matzger","Regiochemical Effects of Sulfur Oxidation on the Electronic and Solid-State Properties of Planarized Oligothiophenes Containing Thieno[3,2-b]thiophene Units","Journal of Organic Chemistry","2008","73","","7882","7888","10.1021/jo801619q","","","1.54187","CuKα","","0.0349","0.0333","","","0.0809","0.0819","","","","","","1.084","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023792","6.706","0.003","20.431","0.009","6.9139","0.0019","90","","111.03","0.03","90","","884.2","0.6","295","2","295","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-Ethyl-pyrido[1,2-a][1,2,4]-triazol-3-thione","","","- C8 H9 N3 S -","- C8 H9 N3 S -","- C32 H36 N12 S4 -","4","1","","Yajun Ma; Siping Wei; Jingbo Lan; Jingzhi Wang; Rugang Xie; Jingsong You","Pyrido[1,2-a][1,2,4]triazol-3-ylidenes as a New Family of Stable Annulated N-Heterocyclic Carbenes: Synthesis, Reactivity, and Their Application in Coordination Chemistry and Organocatalysis","Journal of Organic Chemistry","2008","73","","8256","8264","10.1021/jo801349d","","","0.71073","MoKα","","0.0924","0.0433","","","0.1013","0.1147","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023886","10.992","0.005","11.419","0.005","11.701","0.005","90","0.005","112.083","0.005","90","0.005","1360.9","1","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H36 O4 S4 -","- C28 H36 O4 S4 -","- C56 H72 O8 S8 -","2","0.5","","Ines Vujasinović; Jelena Veljković; Krešimir Molčanov; Biserka Kojić-Prodić; Kata Mlinarić-Majerski","Thiamacrocyclic Lactones: New Ag(I)-Ionophores","Journal of Organic Chemistry","2008","73","","9221","9227","10.1021/jo801143s","","x-ray","1.54179","CuKα","","","0.0429","","","","0.1204","","","","","","1.039","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023890","9.393","0.006","9.113","0.008","10.616","0.003","90","","105.78","0.04","90","","874.5","1","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H20 O4 S4 -","- C14 H20 O4 S4 -","- C28 H40 O8 S8 -","2","0.5","","Ines Vujasinović; Jelena Veljković; Krešimir Molčanov; Biserka Kojić-Prodić; Kata Mlinarić-Majerski","Thiamacrocyclic Lactones: New Ag(I)-Ionophores","Journal of Organic Chemistry","2008","73","","9221","9227","10.1021/jo801143s","","x-ray","1.54179","CuKα","","","0.0341","","","","0.0923","","","","","","1.034","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023891","19.452","0.0017","8.2944","0.0008","22","0.05","90","","115.78","0.13","90","","3196","7","150","2","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C11 H14 Ag F3 O4 S3 -","- C11 H14 Ag F3 O4 S3 -","- C88 H112 Ag8 F24 O32 S24 -","8","2","","Ines Vujasinović; Jelena Veljković; Krešimir Molčanov; Biserka Kojić-Prodić; Kata Mlinarić-Majerski","Thiamacrocyclic Lactones: New Ag(I)-Ionophores","Journal of Organic Chemistry","2008","73","","9221","9227","10.1021/jo801143s","","x-ray","1.54184","CuKα","","","0.135","","","","0.3605","","","","","","1.157","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023893","22.36","0.02","11.045","0.011","23.24","0.03","90","","106.055","0.011","90","","5516","1.1","150.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C57 H68 F3 N O14 -","- C57 H68 F3 N O14 -","- C228 H272 F12 N4 O56 -","4","1","","Yoshimasa Makita; Nobuhiro Kihara; Toshikazu Takata","Quantitative Active Transport in [2]Rotaxane Using a One-Shot Acylation Reaction toward the Linear Molecular Motor","Journal of Organic Chemistry","2008","73","","9245","9250","10.1021/jo8013726","","","0.7107","MoKα","","","0.076","","","","0.261","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024048","9.765","0.005","11.955","0.005","11.725","0.005","90","0.005","98.873","0.005","90","0.005","1352.4","1.1","193","2","193","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C15 F8 O4 -","- C15 F8 O4 -","- C60 F32 O16 -","4","1","","John F. Tannaci; Masahiro Noji; Jennifer McBee; T. Don Tilley","9,10-Dichlorooctafluoroanthracene as a Building Block for n-Type Organic Semiconductors","Journal of Organic Chemistry","2007","72","","5567","5573","10.1021/jo070404a","","","0.71069","MoKα","","0.0366","0.0283","","","0.0689","0.0708","","","","","","0.959","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024200","7.681","0.006","8.366","0.005","21.16","0.02","90","","98.34","0.05","90","","1345.3","2","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1,4-difluoro-benzo[c]phenanthrene-9,10-dihydrodiol","","- C18 H12 F2 O2 -","- C18 H12 F2 O2 -","- C72 H48 F8 O8 -","4","1","","Suyeal Bae; Heduck Mah; Surendrakumar Chaturvedi; Tamara Musafia Jeknic; William M. Baird; Amy K. Katz; H. L. Carrell; Jenny P. Glusker; Takao Okazaki; Kenneth K. Laali; Barbara Zajc; Mahesh K. Lakshman","Synthetic, Crystallographic, Computational, and Biological Studies of 1,4-Difluorobenzo[c]phenanthrene and Its Metabolites","Journal of Organic Chemistry","2007","72","","7625","7633","10.1021/jo071145s","","","0.71073","MoKa","","0.16","0.089","","0.165","0.157","","0.112","","2.016","2.435","2.435","2.435","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024201","7.814","0.007","8.174","0.002","20.263","0.002","90","","94.6","0.02","90","","1290.1","1.2","100","2","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","3,4-dihydrodiol-benzo[c]phenanthrene","","- C18 H14 O2 -","- C18 H14 O2 -","- C72 H56 O8 -","4","1","","Suyeal Bae; Heduck Mah; Surendrakumar Chaturvedi; Tamara Musafia Jeknic; William M. Baird; Amy K. Katz; H. L. Carrell; Jenny P. Glusker; Takao Okazaki; Kenneth K. Laali; Barbara Zajc; Mahesh K. Lakshman","Synthetic, Crystallographic, Computational, and Biological Studies of 1,4-Difluorobenzo[c]phenanthrene and Its Metabolites","Journal of Organic Chemistry","2007","72","","7625","7633","10.1021/jo071145s","","","0.71073","MoKα","","0.1116","0.0614","","","0.0949","0.1029","","","","","","1.608","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024392","7.3612","0.0005","11.0472","0.0012","15.508","0.0018","90","","102.165","0.008","90","","1232.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H9 Br2 N O3 -","- C10 H9 Br2 N O3 -","- C40 H36 Br8 N4 O12 -","4","1","","Bichismita Sahu; Guddeangadi N. Gururaja; Shaikh M. Mobin; Irishi N. N. Namboothiri","Facile Synthesis of β-Tribromomethyl and Dibromomethylenated Nitroalkanes via Conjugate Addition of Bromoform to Nitroalkenes","Journal of Organic Chemistry","2009","74","","2601","2604","10.1021/jo802274q","","","0.71073","MoKα","","0.0763","0.0447","","","0.1158","0.129","","","","","","1.081","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024405","19.773","0.002","9.6285","0.0008","20.595","0.002","90","","118.257","0.003","90","","3453.7","0.6","113","2","113","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C39 H41 N3 O3 S -","- C39 H41 N3 O3 S -","- C156 H164 N12 O12 S4 -","4","1","","Ying Cheng; Bo Wang; Xiao-Rong Wang; Jian-Hong Zhang; De-Cai Fang","An Experimental and Theoretical Study on the Interaction of N-Heterocyclic Carbene-Derived 1,3-Dipoles with Methoxycarbonylallenes: Highly Regio- and Stereoselective [3+2]-Cycloadditions Controlled by the Structures of N-Heterocycles of 1,3-Dipoles","Journal of Organic Chemistry","2009","74","","2357","2367","10.1021/jo802687m","","","0.7107","MoKα","","0.0816","0.0686","","","0.168","0.1783","","","","","","1.087","","","","has coordinates,has disorder","178423","2020-10-21","18:00:00",""
"4024484","22.748","0.0002","9.4207","0.0001","28.2634","0.0004","90","","96.7081","0.0005","90","","6015.44","0.12","150","1","150","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C55 H80 I2 O4 P4 Pt2 -","- C55 H80 I2 O4 P4 Pt2 -","- C220 H320 I8 O16 P16 Pt8 -","4","1","","Hai-Bo Yang; Brian H. Northrop; Yao-Rong Zheng; Koushik Ghosh; Matthew M. Lyndon; David C. Muddiman; Peter J. Stang","Synthesis of Six-Component Metallodendrimers via [3 + 3] Coordination-Driven Self-Assembly","Journal of Organic Chemistry","2009","74","","3524","3527","10.1021/jo900067v","","","0.71073","MoKα","","0.0673","0.0398","","","0.0818","0.0908","","","","","","1.023","","","","has coordinates,has disorder","178423","2020-10-21","18:00:00",""
"4024687","13.0847","0.0002","8.9796","0.0001","15.6906","0.0003","90","","92.3403","0.0009","90","","1842.04","0.05","200","","200","","","","","","","","from UoW","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H25 N O3 Si -","- C18 H25 N O3 Si -","- C72 H100 N4 O12 Si4 -","4","1","","Jasmine C. Jury; Nalivela Kumara Swamy; Arife Yazici; Anthony C. Willis; Stephen G. Pyne","Metal-Catalyzed Cycloisomerization Reactions of cis-4-Hydroxy-5-alkynylpyrrolidinones and cis-5-Hydroxy-6-alkynylpiperidinones: Synthesis of Furo[3,2-b]pyrroles and Furo[3,2-b]pyridines","Journal of Organic Chemistry","2009","74","","5523","5527","10.1021/jo9007942","","","0.71073","MoKα","","0.0463","0.0337","","0.0937","0.0906","0.0937","","","","","","0.9169","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024746","14.476","0.012","14.203","0.012","14.986","0.013","90","","113.122","0.037","90","","2833.7","4.2","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H28 Br2 N5 O3 Si -","- C25 H28 Br2 N5 O3 Si -","- C100 H112 Br8 N20 O12 Si4 -","4","1","","Qingyi Li; Paul Hurley; Hui Ding; Andrew G. Roberts; Radha Akella; Patrick G. Harran","Exploring Symmetry-Based Logic for a Synthesis of Palau'amine","Journal of Organic Chemistry","2009","74","","5909","5919","10.1021/jo900755r","","","0.71069","MoKα","","0.1206","0.0728","","","0.2129","0.2384","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024772","12.2188","0.0006","11.5364","0.0006","12.5909","0.0007","90","","107.823","0.001","90","","1689.6","0.2","93.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H27 N3 -","- C19 H27 N3 -","- C76 H108 N12 -","4","1","","Yusuke Ohta; Yushi Kubota; Tsuyoshi Watabe; Hiroaki Chiba; Shinya Oishi; Nobutaka Fujii; Hiroaki Ohno","Rapid Access to 3-(Aminomethyl)isoquinoline-Fused Polycyclic Compounds by Copper-Catalyzed Four-Component Coupling, Cascade Cyclization, and Oxidation","Journal of Organic Chemistry","2009","74","","6299","6302","10.1021/jo901090u","","","0.7107","MoKα","","","0.042","","","","0.084","","","","","","1.788","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024792","18.27","0.002","16.5555","0.0017","19.663","0.003","90","","101.596","0.006","90","","5826.2","1.2","113","2","113","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C61 H56 Cl8 N3 O5 -","- C61 H56 Cl8 N3 O5 -","- C244 H224 Cl32 N12 O20 -","4","1","","Hualei Qian; Wan Yue; Yonggang Zhen; Simone Di Motta; Eugenio Di Donato; Fabrizia Negri; Jianqiang Qu; Wei Xu; Daoben Zhu; Zhaohui Wang","Heterocyclic Annelated Di(perylene bisimide): Constructing Bowl-Shaped Perylene Bisimides by the Combination of Steric Congestion and Ring Strain","Journal of Organic Chemistry","2009","74","","6275","6282","10.1021/jo901285k","","","0.7107","MoKα","","0.1055","0.0959","","","0.2568","0.2631","","","","","","1.191","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024822","8.7731","0.0002","22.3043","0.0006","10.5826","0.0003","90","","98.2573","0.0011","90","","2049.31","0.09","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C92 H116 N4 O12 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.1062","0.0493","","0.1124","0.0483","0.0481","","","","","","1.1234","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024919","8.065","0.0003","20.727","0.0008","9.305","0.0004","90","","112.974","0.002","90","","1432.08","0.1","200","2","200","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H15 Br -","- C18 H15 Br -","- C72 H60 Br4 -","4","1","","Gon-Ann Lee; Wen-Chieh Wang; Shih-Fen Jiang; Chih-Yi Chang; Ru-Ting Tsai","The Crossed [2+2] Cycloaddition of 1-Phenylcyclopropene and 1-Bromo-2-phenylcyclopropene","Journal of Organic Chemistry","2009","74","","7994","7997","10.1021/jo901636k","","","0.71073","MoKα","","0.1284","0.0802","","","0.1782","0.1981","","","","","","1.08","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024932","16.3914","0.0003","9.8562","0.0002","17.5824","0.0004","90","","116.384","0.001","90","","2544.67","0.09","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C48 H61 Cl2 O6 Si2 -","- C48 H46 Cl2 O6 Si2 -","- C96 H92 Cl4 O12 Si4 -","2","0.5","","Michael D. Weller; Benson M. Kariuki; Liam R. Cox","Synthesis of Hybrid Masked Triyne-Phenylene Axial Rods Containing (E)-β-Chlorovinylsilanes in the π-Conjugated Framework","Journal of Organic Chemistry","2009","74","","7898","7907","10.1021/jo901766p","","","1.54178","CuKα","","0.0607","0.0473","","","0.1337","0.1469","","","","","","1.018","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4025105","7.925","0.003","24.122","0.004","13.993","0.003","90","","98.51","0.02","90","","2645.3","1.2","295.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H34 Cl2 N2 O6 -","- C24 H34 Cl2 N2 O6 -","- C96 H136 Cl8 N8 O24 -","4","1","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.0882","","","","0.0671","","","","","","1.186","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025106","7.979","0.005","24.521","0.006","13.898","0.005","90","","98.42","0.04","90","","2690","2","295.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H34 Br2 N2 O6 -","- C24 H34 Br2 N2 O6 -","- C96 H136 Br8 N8 O24 -","4","1","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.0579","","","","0.0654","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025179","13.5262","0.0002","9.4585","0.0001","14.0927","0.0002","90","","114.902","0.0009","90","","1635.36","0.04","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Tanya A. Bradford; Alan D. Payne; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Practical Synthesis and Reactivity of [3]Dendralene","Journal of Organic Chemistry","2010","75","","491","494","10.1021/jo9024557","","","0.71073","MoKα","","0.0445","0.035","","0.0965","0.0934","0.0965","","","","","","0.9469","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025243","6.823","0.007","7.355","0.008","19.05","0.02","90","0.004","90.427","0.004","90","0.004","956","1.7","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","DPh-NDT","DPh-NDT","","- C26 H16 S2 -","- C26 H16 S2 -","- C52 H32 S4 -","2","0.5","","Shoji Shinamura; Eigo Miyazaki; Kazuo Takimiya","Synthesis, Properties, Crystal Structures, and Semiconductor Characteristics of Naphtho[1,2-b:5,6-b']dithiophene and -diselenophene Derivatives","Journal of Organic Chemistry","2010","75","","1228","1234","10.1021/jo902545a","","","0.7107","MoKα","","0.0674","0.0519","","","0.1201","0.1268","","","","","","0.848","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025301","12.598","0.003","10.033","0.001","14.267","0.002","90","","113.13","0.02","90","","1658.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Methyl 3-cyano-8b-isopropyl-2-methoxy-3aH-furo[3,2-b] indole-4(8bH)-carboxylate.","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","1","","Perla Y. López-Camacho; Pedro Joseph-Nathan; Bárbara Gordillo-Román; Oscar R. Suárez-Castillo; Martha S. Morales-Ríos","Cascade [1,3]-Sigmatropic Rearrangements of Ketene O,O-Acetals: Kinetic and DFT Level Mechanistic Studies","Journal of Organic Chemistry","2010","75","","1898","1910","10.1021/jo902520z","","","1.54184","CuKα","","0.0421","0.0374","","","0.0974","0.0994","","","","","","1.043","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025302","12.831","0.002","10.528","0.002","14.23","0.002","90","","115.7","0.01","90","","1732.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Methyl 3-cyano-8b-tert-butyl-2-methoxy-3aH-furo[3,2-b] indole-4(8bH)-carboxylate.","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C72 H80 N8 O16 -","4","1","","Perla Y. López-Camacho; Pedro Joseph-Nathan; Bárbara Gordillo-Román; Oscar R. Suárez-Castillo; Martha S. Morales-Ríos","Cascade [1,3]-Sigmatropic Rearrangements of Ketene O,O-Acetals: Kinetic and DFT Level Mechanistic Studies","Journal of Organic Chemistry","2010","75","","1898","1910","10.1021/jo902520z","","","1.54184","CuKα","","0.0433","0.0403","","","0.1112","0.1129","","","","","","1.107","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025453","13.88","0.03","6.535","0.009","21.02","0.07","90","","108.24","0.03","90","","1811","8","100.1","","100.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C21 H21 N O4 S -","- C21 H21 N O4 S -","- C84 H84 N4 O16 S4 -","4","1","","Masatoshi Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Thermodynamic Aspects of Thermal Decomposition and Charge-Transfer-Induced Chemiluminescent Decomposition for Bicyclic Dioxetanes Bearing a 4-(Benzothiazol-2-yl)-3-hydroxyphenyl Moiety","Journal of Organic Chemistry","2010","75","","3678","3684","10.1021/jo100449m","","","0.7107","MoKα","","","0.051","","","","0.15","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025454","15.99","0.01","6.294","0.005","20.54","0.04","90","","108.204","0.012","90","","1964","4","150.1","","150.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Masatoshi Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Thermodynamic Aspects of Thermal Decomposition and Charge-Transfer-Induced Chemiluminescent Decomposition for Bicyclic Dioxetanes Bearing a 4-(Benzothiazol-2-yl)-3-hydroxyphenyl Moiety","Journal of Organic Chemistry","2010","75","","3678","3684","10.1021/jo100449m","","","0.7107","MoKα","","","0.034","","","","0.078","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025519","15.0742","0.0003","20.5227","0.0004","16.5372","0.0003","90","","105.975","0.0007","90","","4918.43","0.16","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C82 H38 O8 -","- C82 H38 O8 -","- C328 H152 O32 -","4","1","","Ken Kokubo; Riyah S. Arastoo; Takumi Oshima; Chun-Chih Wang; Yuan Gao; Hsing-Lin Wang; Hao Geng; Long Y. Chiang","Synthesis and Regiochemistry of [60]Fullerenyl 2-Methylmalonate Bisadducts and their Facile Electron-Accepting Properties","Journal of Organic Chemistry","2010","75","","4574","4583","10.1021/jo1007674","","","1.54187","CuKα","","0.0734","0.0688","","","0.1585","0.1607","","","","","","1.112","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025749","10.6573","0.0002","9.6225","0.0002","11.3219","0.0002","90","","117.807","0.001","90","","1026.98","0.04","293","","293","","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H13 N O5 -","- C9 H13 N O5 -","- C36 H52 N4 O20 -","4","1","","José G. Hernández; Eusebio Juaristi","Green Synthesis of α,β- and β,β-Dipeptides under Solvent-Free Conditions","Journal of Organic Chemistry","2010","75","","7107","7111","10.1021/jo101159a","","x-ray","0.71073","MoKα","","0.05","0.0398","","0.0637","0.0543","0.0501","","","","","","1.0615","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025793","15.149","0.012","5.442","0.006","24.33","0.02","90","","99.7","0.03","90","","1977","3","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","1","","Noriko Okamoto; Kei Takeda; Reiko Yanada","Platinum-Catalyzed, One-Pot Tandem Synthesis of Indoles and Isoquinolines via Sequential Rearrangement of Amides and Aminocyclization","Journal of Organic Chemistry","2010","75","","7615","7625","10.1021/jo101347f","","","0.71075","MoK'a","","","0.0361","","","","0.0471","","","","","","0.988","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025950","12.979","0.002","8.4621","0.0015","16.92","0.003","90","","101.129","0.004","90","","1823.4","0.5","298.1","","298","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H16 O3 -","- C26 H16 O3 -","- C104 H64 O12 -","4","1","","Zhiying Jia; Shi Li; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Preparation of 6,13-Bis(trimethylsilyl)pentacene and Formation of Second-Ring Diels-Alder Adduct of Pentacene","Journal of Organic Chemistry","2011","76","","293","296","10.1021/jo101774d","","","0.71075","MoKα","","","0.052","","","","0.0468","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026487","7.9149","0.0018","13.363","0.003","14.764","0.004","90","","97.933","0.003","90","","1546.6","0.6","203","2","203","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H13 N3 -","- C20 H13 N3 -","- C80 H52 N12 -","4","1","","Eiji Yamaguchi; Fumitoshi Shibahara; Toshiaki Murai","1-Alkynyl- and 1-Alkenyl-3-arylimidazo[1,5-a]pyridines: Synthesis, Photophysical Properties, and Observation of a Linear Correlation between the Fluorescent Wavelength and Hammett Substituent Constants","Journal of Organic Chemistry","2011","76","","6146","6158","10.1021/jo200864x","","","0.71075","MoKα","","0.0675","0.0587","","","0.1621","0.17","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026605","7.68545","0.00015","16.9437","0.0003","9.7925","0.0002","90","","103.049","0.0012","90","","1242.25","0.04","277.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C21 H10 O -","- C42 H20 O2 -","- C84 H40 O4 -","2","0.5","","Toru Amaya; Maiko Hifumi; Michiaki Okada; Yasutomo Shimizu; Toshiyuki Moriuchi; Kouji Segawa; Yoichi Ando; Toshikazu Hirao","Synthesis of Oxosumanenes through Benzylic Oxidation","Journal of Organic Chemistry","2011","76","","8049","8052","10.1021/jo2012412","","","1.54187","CuKα","","","0.0404","","","","0.1266","","","","","","1.135","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026685","10.0389","0.0012","11.3271","0.0016","16.24","0.002","90","","91.606","0.005","90","","1846","0.4","110","2","110","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H20 Br3 O2 -","- C18 H20 Br3 O2 -","- C72 H80 Br12 O8 -","4","1","","Takashi Takeda; Koji Inukai; Kazukuni Tahara; Yoshito Tobe","Electrophilic Transannular Cyclization of Octadehydrodibenzo[12]annulene Reexamined: Indication of the Formation of Both anti- and syn-Indenofluorenes","Journal of Organic Chemistry","2011","76","","9116","9121","10.1021/jo2014593","","x-ray","0.71073","MoKα","","0.054","0.0408","","","0.0952","0.1053","","","","","","1.075","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026939","8.8325","0.0004","14.1648","0.0004","14.7778","0.0005","90","0","99.154","0.005","90","0.005","1825.31","0.12","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H22 O9 -","- C16 H22 O9 -","- C64 H88 O36 -","4","1","","Arif Baran; Merve Bekarlar; Gökay Aydin; Mehmet Nebioglu; Ertan Şahin; Metin Balci","Synthesis of Bishomoinositols and an Entry for Construction of a Substituted 3-Oxabicyclo[3.3.1]nonane Skeleton","Journal of Organic Chemistry","2012","77","","1244","1250","10.1021/jo202494v","","x-ray","0.71073","MoKα","","0.1516","0.0749","","","0.2018","0.223","","","","","","1.045","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4027061","9.5026","0.0004","34.1358","0.0013","9.7418","0.0004","90","","116.922","0.0009","90","","2817.6","0.2","293","","293","","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H15 Cl8 Ir O5 Sn3 -","- C10 H15 Cl8 Ir O5 Sn3 -","- C40 H60 Cl32 Ir4 O20 Sn12 -","4","1","","Arnab Kumar Maity; Sujit Roy","A Multimetallic Piano-Stool Ir-Sn3 Catalyst for Nucleophilic Substitution Reaction of γ-Hydroxy Lactams through N-Acyliminium Ions","Journal of Organic Chemistry","2012","77","","2935","2941","10.1021/jo202359e","","x-ray","0.71073","MoKα","","0.0813","0.0659","","","0.1484","0.1529","","","","","","1.299","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4027195","11.143","0.003","12.249","0.003","15.112","0.004","90","","94.278","0.008","90","","2056.9","0.9","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Masatoshi, Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Base-Induced Chemiluminescent Decomposition of Bicyclic Dioxetanes Bearing a (Benzothiazol-2-yl)-3-hydroxyphenyl Group: A Radiationless Pathway Leading to Marked Decline of Chemiluminescence Efficiency","Journal of Organic Chemistry","2012","77","","4725","4731","10.1021/jo300417e","","","0.7107","MoKα","","","0.042","","","","0.055","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027458","10.302","0.0003","9.9176","0.0003","20.2026","0.0008","90","","94.2098","0.0019","90","","2058.55","0.12","150","1","150","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H25 N3 O2 S -","- C23 H25 N3 O2 S -","- C92 H100 N12 O8 S4 -","4","1","","Timothy K. Lane; Brendan R. D'Souza; Janis Louie","Iron-Catalyzed Formation of 2-Aminopyridines from Diynes and Cyanamides","Journal of Organic Chemistry","2012","77","","7555","7563","10.1021/jo3012418","","","0.71073","MoKα","","0.0828","0.0511","","","0.1167","0.1317","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027530","6.527","0.003","22.527","0.009","9.912","0.004","90","","105.66","0.03","90","","1403.3","1","173.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Akari Miyawaki; Daisuke Kikuchi; Masu Niki; Yuki Manabe; Makoto Kanematsu; Hiromasa Yokoe; Masahiro Yoshida; Kozo Shishido","Total Synthesis of Natural Enantiomers of Heliespirones A and Cviathe Diastereoselective Intramolecular Hosomi-Sakurai Reaction","Journal of Organic Chemistry","2012","77","","8231","8243","10.1021/jo3016055","","","0.7107","MoKα","","","0.047","","","","0.088","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027554","8.2952","0.0002","11.0345","0.0003","17.188","0.0004","90","","103.883","0.0014","90","","1527.31","0.07","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H15 N O5 S -","- C15 H15 N O5 S -","- C60 H60 N4 O20 S4 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.049","0.0334","","0.0884","0.0846","0.0884","","","","","","0.9237","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027556","10.5574","0.0001","11.1904","0.0002","12.0818","0.0002","90","","104.971","0.0009","90","","1378.91","0.04","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H12 Cl3 N O3 -","- C11 H12 Cl3 N O3 -","- C44 H48 Cl12 N4 O12 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.0341","0.0317","","0.0801","0.0783","0.0801","","","","","","1.0021","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027557","9.7962","0.0004","10.5984","0.0003","13.7503","0.0005","90","","90.062","0.002","90","","1427.61","0.09","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H14 Cl3 N O3 -","- C12 H14 Cl3 N O3 -","- C48 H56 Cl12 N4 O12 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.047","0.0337","","0.084","0.0772","0.084","","","","","","1.0001","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027604","11.3501","0.0009","10.9536","0.0008","15.5409","0.0013","90","0.001","97.3418","0.0011","90","0.001","1916.3","0.3","153","2","153","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C46 H58 N2 -","- C46 H58 N2 -","- C92 H116 N4 -","2","0.5","","Shin-ichiro Kato; Hiroto Noguchi; Atsushi Kobayashi; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","Bicarbazoles: Systematic Structure-Property Investigations on a Series of Conjugated Carbazole Dimers","Journal of Organic Chemistry","2012","77","","9120","9133","10.1021/jo3016538","","","0.7107","MoKα","","0.0558","0.0538","","","0.1337","0.1354","","","","","","1.122","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027608","10.68236","0.00019","3.83987","0.00007","12.9514","0.0002","90","","111.159","0.001","90","","495.436","0.015","95","2","95","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","FT-TF","5,5'-bithieno[3,2-b]furan","","- C12 H6 O2 S2 -","- C12 H6 O2 S2 -","- C24 H12 O4 S4 -","2","0.5","","John T. Henssler; Adam J. Matzger","Regiochemical Effects of Furan Substitution on the Electronic Properties and Solid-State Structure of Partial Fused-Ring Oligothiophenes","Journal of Organic Chemistry","2012","77","","9298","9303","10.1021/jo301744s","","","1.54187","CuKα","","0.0317","0.0311","","","0.0868","0.0873","","","","","","1.066","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027679","12.0179","0.0004","7.871","0.0003","12.0993","0.0006","90","","115.665","0.001","90","","1031.59","0.07","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","a99me","2-methyl-1,4,5,6-tetrahydro-2H-benzo[c]azocin-3-one","","- C12 H15 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","1","","Agnieszka Witosińska; Bogdan Musielak; Paweł Serda; Maria Owińska; Barbara Rys","Conformation of Eight-Membered Benzoannulated Lactams by Combined NMR and DFT Studies","Journal of Organic Chemistry","2012","77","","9784","9794","10.1021/jo301859h","","x-ray","0.71073","MoKα","","0.0643","0.0445","","","0.1027","0.1162","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4028063","11.009","0.0003","9.033","0.0003","12.537","0.0004","90","","105.775","0.001","90","","1199.78","0.06","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H18 O7 -","- C10 H18 O7 -","- C40 H72 O28 -","4","1","","Himali Y. Godage; Andrew M. Riley; Timothy J. Woodman; Mark P. Thomas; Mary F. Mahon; Barry V. L. Potter","Regioselective Opening of myo-Inositol Orthoesters: Mechanism and Synthetic Utility","Journal of Organic Chemistry","2013","78","","2275","2288","10.1021/jo3027774","","","0.71073","MoKα","","0.056","0.0429","","","0.1104","0.1212","","","","","","1.049","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028068","10.2036","0.0018","14.265","0.0015","18.965","0.003","90","","97.125","0.011","90","","2739.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H30 N4 O8 -","- C28 H30 N4 O8 -","- C112 H120 N16 O32 -","4","1","","Codruţa C. Paraschivescu; Mihaela Matache; Cristian Dobrotă; Alina Nicolescu; Cătălin Maxim; Călin Deleanu; Ileana C. Fărcăşanu; Niculina D. Hădade","Unexpected Formation of N-(1-(2-Aryl-hydrazono)isoindolin-2-yl)benzamides and Their Conversion into 1,2-(Bis-1,3,4-oxadiazol-2-yl)benzenes","Journal of Organic Chemistry","2013","78","","2670","2679","10.1021/jo400023z","","","0.5608","AgKα","","0.1374","0.0778","","","0.1483","0.1709","","","","","","1.031","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028391","12.9383","0.0003","9.6592","0.0003","14.2936","0.0004","90","","100.965","0.001","90","","1753.71","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H19 O P -","- C24 H19 O P -","- C96 H76 O4 P4 -","4","1","","Chris W. D. Gallop; Mariusz Bobin; Petra Hourani; Jessica Dwyer; S. Mark Roe; Eddy M. E. Viseux","Investigation of the Reductive Cleavage of BINAP and Application to the Rapid Synthesis of Phospholes","Journal of Organic Chemistry","2013","78","","6522","6528","10.1021/jo4006393","","x-ray","0.71073","MoKα","","0.0688","0.0563","","","0.1309","0.1367","","","","","","1.101","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028647","12.7674","0.0003","6.7691","0.0002","16.1154","0.0005","90","","99.797","0.002","90","","1372.44","0.07","200","","200","","","","","","","","local","3","P 1 21/a 1","-P 2yab","14","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Aymeric Cervi; Paul Aillard; Nourallah Hazeri; Laurent Petit; Christina L. L. Chai; Anthony C. Willis; Martin G. Banwell","Total Syntheses of the Coumarin-Containing Natural Products Pimpinellin and Fraxetin Using Au(I)-Catalyzed Intramolecular Hydroarylation (IMHA) Chemistry","Journal of Organic Chemistry","2013","78","","9876","9882","10.1021/jo401583q","","","0.71073","MoKα","","0.073","0.0554","","0.1298","0.1209","0.1298","","","","","","1.0458","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028701","10.7783","0.0006","31.1615","0.0016","11.9415","0.0007","90","","113.234","0.007","90","","3685.5","0.4","121.16","0.1","121.16","0.1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C39 H59 N4 O2 -","- C39 H59 N4 O2 -","- C156 H236 N16 O8 -","4","1","","Xiao-Yong Duan; Xiu-Long Yang; Ran Fang; Xie-Xue Peng; Wei Yu; Bing Han","Hydrazone Radical Promoted Vicinal Difunctionalization of Alkenes and Trifunctionalization of Allyls: Synthesis of Pyrazolines and Tetrahydropyridazines","Journal of Organic Chemistry","2013","78","","10692","10704","10.1021/jo4016908","","","0.7107","MoKα","","0.1414","0.0747","","","0.1524","0.1875","","","","","","1.033","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028861","11.83","0.002","8.916","0.002","12.804","0.002","90","","99.082","0.009","90","","1333.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-hydroxy-3-(1-hydroxycyclohexyl)-2-methylisoindolin-1-one","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0525","0.0389","","","0.0972","0.1037","","","","","","1.054","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028866","7.9701","0.0009","16.241","0.002","10.4629","0.0011","90","","87.44","0.005","90","","1353","0.3","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(E)-3-(benzo[d][1,3]dioxol-5-ylmethylene)-2-methylisoindolin-1-one","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0731","0.0429","","","0.1006","0.1093","","","","","","1.019","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028870","8.896","0.002","15.281","0.004","10.5883","0.0018","90","","97.549","0.008","90","","1426.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Z)-3-benzylidene-4,5-dimethoxyisoindolin-1-one","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.096","0.044","","","0.0926","0.1034","","","","","","0.947","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028936","13.4303","0.0007","7.8903","0.0004","13.9246","0.0006","90","","91.425","0.003","90","","1475.12","0.12","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H12 N2 O4 -","- C18 H12 N2 O4 -","- C72 H48 N8 O16 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0505","0.0391","","","0.0885","0.0941","","","","","","1.04","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028937","13.7192","0.0007","7.4109","0.0004","15.3928","0.0007","90","","93.948","0.002","90","","1561.3","0.14","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H11 Cl N2 O4 -","- C18 H11 Cl N2 O4 -","- C72 H44 Cl4 N8 O16 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0431","0.0353","","","0.0894","0.0944","","","","","","1.043","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028938","13.965","0.0006","7.3292","0.0003","15.6911","0.0006","90","","95.712","0.002","90","","1598.05","0.11","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H14 N2 O5 -","- C19 H14 N2 O5 -","- C76 H56 N8 O20 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0433","0.0358","","","0.0912","0.0961","","","","","","1.059","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028940","5.8491","0.0003","27.7737","0.0012","8.361","0.0004","90","","95.084","0.002","90","","1352.91","0.11","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H9 Cl N2 O3 -","- C15 H9 Cl N2 O3 -","- C60 H36 Cl4 N8 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0423","0.0375","","","0.0955","0.0985","","","","","","1.06","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028946","13.6352","0.0016","7.6099","0.0008","21.144","0.002","90","","105.61","0.006","90","","2113","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H18 Cl N3 O3 -","- C25 H18 Cl N3 O3 -","- C100 H72 Cl4 N12 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0956","0.0777","","","0.1578","0.1652","","","","","","1.193","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028992","9.4717","0.0003","26.886","0.0005","10.7925","0.0002","90","","103.667","0.0019","90","","2670.56","0.11","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32 H20 F6 N2 O3 -","- C32 H20 F6 N2 O3 -","- C128 H80 F24 N8 O12 -","4","1","","Azuma, Takumi; Kobayashi, Yusuke; Sakata, Ken; Sasamori, Takahiro; Tokitoh, Norihiro; Takemoto, Yoshiji","Synthesis and characterization of binary-complex models of ureas and 1,3-dicarbonyl compounds: deeper insights into reaction mechanisms using snap-shot structural analysis.","The Journal of organic chemistry","2014","79","4","1805","1817","10.1021/jo4028775","","","0.71075","MoKα","","0.0665","0.0559","","","0.1399","0.1486","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029567","8.4106","0.0004","9.3443","0.0005","16.3224","0.0008","90","","95.741","0.001","90","","1276.36","0.11","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","1","","García-Egido, Eduardo; Fernandez-Suarez, Miryam; Muñoz, Luis","Synthesis of carbamoyl azides from primary amines and carbon dioxide under mild conditions.","The Journal of organic chemistry","2008","73","7","2909","2911","10.1021/jo702506v","","","0.71073","MoKα","","0.092","0.0663","","","0.2041","0.2356","","","","","","1.067","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4030226","13.1801","0.0006","11.6477","0.0005","13.9929","0.0005","90","","90.152","0.003","90","","2148.15","0.15","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C100 H108 N12 O24 -","4","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.0927","0.0534","","0.1366","0.1167","0.1366","","","","","","0.9606","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030229","10.3961","0.0002","15.5192","0.0005","16.774","0.0004","90","","91.4837","0.0016","90","","2705.4","0.12","200","","200","","","","","","","","local","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H30 O12 -","- C28 H30 O12 -","- C112 H120 O48 -","4","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.0839","0.0523","","0.1324","0.1174","0.1324","","","","","","0.9748","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030324","12.5026","0.0004","13.2431","0.0003","12.5514","0.0004","90","","99.25","0.003","90","","2051.15","0.11","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H20 N2 O3 -","- C26 H20 N2 O3 -","- C104 H80 N8 O12 -","4","1","","Novikov, Mikhail S.; Khlebnikov, Alexander F.; Rostovskii, Nikolai V.; Tcyrulnikov, Sergei; Suhanova, Anna A.; Zavyalov, Kirill V.; Yufit, Dmitry S.","Pseudopericyclic 1,5- versus Pericyclic 1,4- and 1,6-Electrocyclization in Electron-Poor 4-Aryl-2-azabuta-1,3-dienes: Indole Synthesis from 2H-Azirines and Diazo Compounds.","The Journal of organic chemistry","2014","80","1","18","","10.1021/jo501051n","","","0.71073","MoKα","","0.054","0.0401","","","0.0864","0.0939","","","","","","1.057","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030334","8.5949","0.0004","12.6279","0.0006","17.9523","0.001","90","","95.417","0.005","90","","1939.76","0.17","291","2","291","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Zuo, Jian; Wu, Zhi-Jun; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Preparation of 3-Sulfonylated 3,3-Disubstituted Oxindoles by the Addition of Sulfinate Salts to 3-Halooxindoles.","The Journal of organic chemistry","2014","80","1","634","","10.1021/jo502270a","","","1.54184","CuKα","","0.0742","0.0626","","","0.1683","0.181","","","","","","1.085","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030475","10.945","0.002","8.932","0.002","12.564","0.001","90","","102.404","0.009","90","","1199.6","0.4","","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H11 F6 N O3 S2 -","- C6 H11 F6 N O3 S2 -","- C24 H44 F24 N4 O12 S8 -","4","1","","Keszler, D. A.; Winter, B.; Gard, G. L.","The crystal structure of (pentafluoro-lamda6-sulfanyl)(fluorosulfonyl) diethylacetamide","European Journal of Solid State and Inorganic Chemistry","1992","29","","835","855","","","x-ray","0.71069","MoKα","","","0.065","","","0.079","","","","","","","","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030698","5.527","0.007","12.214","0.003","14.003","0.003","90","","92.95","0.02","90","","944","1.2","","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Bi3 Cr2 H O11 -","- Bi3 Cr2 O11 -","- Bi12 Cr8 O44 -","4","1","","Kodialam, S.; Kumada, N.; Mackay, R.; Sleight, A. W.","Crystal structure of a new hydrogen bismuth chromate: HBi3(CrO4)2O3","European Journal of Solid State and Inorganic Chemistry","1994","31","","739","746","","","x-ray","0.71073","MoKα","","","0.041","","","0.048","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030946","7.4209","0.0008","17.0659","0.0017","13.5707","0.0015","90","","97.834","0.013","90","","1702.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","o-(CF3)2-TTF-o-(CO2Me)","4,5-bis(trifluoromethyl)-4',5'-bis(methoxycarbonyl)tetrathiafulvalene","","- C12 H6 F6 O4 S4 -","- C12 H6 F6 O4 S4 -","- C48 H24 F24 O16 S16 -","4","1","","Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc","Trifluoromethyl-substituted tetrathiafulvalenes.","Beilstein journal of organic chemistry","2015","11","","647","658","10.3762/bjoc.11.73","","","0.71073","MoKα","","0.0612","0.032","","","0.0706","0.0783","","","","","","0.898","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031109","13.4777","0.0007","9.3088","0.0007","17.2255","0.0013","90","","106.022","0.003","90","","2077.2","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C21.67 H23.67 B N2 O5.67 -","- C21.67 H23.68 B N2 O5.67 -","- C86.68 H94.72 B4 N8 O22.68 -","4","1","","Eberlin, Ludovic; Carboni, Bertrand; Whiting, Andrew","Regioisomeric and Substituent Effects upon the Outcome of the Reaction of 1-Borodienes with Nitrosoarene Compounds.","The Journal of organic chemistry","2015","80","13","6574","6583","10.1021/acs.joc.5b00593","","x-ray","0.71073","MoKα","","0.0661","0.0426","","","0.0955","0.1068","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031121","12.1751","0.0002","9.859","0.0001","14.8593","0.0002","90","","111.057","0.0006","90","","1664.52","0.04","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Green, William D.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Syntheses of Dihydroconduramines (±)-B-1, (±)-E-1, and (±)-F-1 via Diastereoselective Epoxidation of N-Protected 4-Aminocyclohex-2-en-1-ols.","The Journal of organic chemistry","2015","80","13","6609","6618","10.1021/acs.joc.5b00716","","","0.71073","MoKα","","0.1044","0.1012","","0.2218","0.2207","0.2218","","","","","","1.0803","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4031360","17.0691","0.0013","7.8183","0.0004","20.8356","0.0016","90","0.0007","112.602","0.0008","90","0.0007","2567","0.3","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C33 H28 N4 O -","- C33 H28 N4 O -","- C132 H112 N16 O4 -","4","1","","Kato, Shin-Ichiro; Yamada, Yuji; Hiyoshi, Hidetaka; Umezu, Kazuto; Nakamura, Yosuke","Series of Carbazole-Pyrimidine Conjugates: Syntheses and Electronic, Photophysical, and Electrochemical Properties.","The Journal of organic chemistry","2015","80","18","9076","9090","10.1021/acs.joc.5b01409","","","0.7107","MoKα","","0.0551","0.053","","","0.1574","0.1596","","","","","","1.151","","","","has coordinates","160548","2020-10-21","18:00:00",""
"4031371","9.139","","12.278","","6.346","","90","","106.09","","90","","684.182","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N H4)2 Cu (H2 O)6 (S O4)2","","- Cu H20 N2 O14 S2 -","- Cu H20 N2 O14 S2 -","- Cu2 H40 N4 O28 S4 -","2","0.5","","Alcock, N.; Duggan, M.; Murray, A.; Hathaway, B.J.; Tyagi, S.; Hewat, A.W.","The low-temperature crystal structure (203 and 123 K) and electronic properties of diammonium hexa-aquacopper(II) disulphate: a fluxional Cu O6 chromophore","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1984","1984","","7","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031461","11.009","","10.04","","7.483","","90","","109.49","","90","","779.706","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K2 (O3 S O N H S O3)","","- H K2 N O7 S2 -","- H K2 N O7 S2 -","- H4 K8 N4 O28 S8 -","4","1","","Hall, J.R.; Johnson, R.A.; Kennard, C.H.L.; Skelton, B.W.; Smith, G.; White, A.H.","Crystal structure, and the Infrared and Raman spectra, of potassium hydroxylamine-N,O-disulphonate K2 (O3 S O N H S O3), and of potassium hydroxylaminetrisulphonate sesquihydrate K3 (O3 S O N (S O3)2) (H2 O)1.5","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1980","1980","","2199","2207","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031464","15.785","","15.237","","4.919","","90","","97.4","","90","","1173.24","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","N5 P5 F10","","- F10 N5 P5 -","- F10 N5 P5 -","- F40 N20 P20 -","4","1","","Hartsuiker, J.G.; Wagner, A.J.","Crystal structure of compounds with (N-P)n rings. Part 12. Decafluorocyclopentaphosphazene","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1978","1978","","1425","1430","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031515","11.11","","12.9","","4.28","","90","","98.2","","90","","607.134","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","K2 (Pd (S C N)4)","","- C4 K2 N4 Pd S4 -","- C4 K2 N4 Pd S4 -","- C8 K4 N8 Pd2 S8 -","2","0.5","","Mawby, A.; Pringle, G.E.","The structure of potassium tetrathiocyanatopalladate(II)","Journal of Inorganic and Nuclear Chemistry","1972","34","","2213","2217","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031620","13.1562","","8.2858","","13.526","","90","","90.333","","90","","1474.44","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","(((C H3)2 S) (C O)2 (C2 B9 H10) Rh)","","- C6 H16 B9 O2 Rh S -","- C6 B9 O2 Rh S -","- C24 B36 O8 Rh4 S4 -","4","1","","Douek, N.L.; Welch, A.J.","The chemistry of monoanionic carbaborane ligands. Synthesis and structure of compounds with carbonyl and cycloocta1,5-diene ligands additionally bound to metal atoms, including a cationic carbametallaborane","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1993","1993","","1917","1925","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031877","8.1469","0.0002","21.0989","0.0006","10.1495","0.0003","90","","91.2076","0.0017","90","","1744.22","0.08","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0889","0.0478","","0.1153","0.0988","0.1153","","","","","","0.9578","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031880","8.1146","0.0001","15.1903","0.0003","14.0567","0.0003","90","","105.362","0.001","90","","1670.77","0.05","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0536","0.0376","","0.1055","0.1013","0.1055","","","","","","0.9052","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031882","8.6793","0.0002","22.8503","0.0004","9.6857","0.0002","90","","91.2144","0.0009","90","","1920.48","0.07","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C19.5 H23 Cl N2 O4 -","- C19.5 H23 Cl N2 O4 -","- C78 H92 Cl4 N8 O16 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0933","0.0491","","0.1332","0.1227","0.1332","","","","","","0.8076","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031883","12.8137","0.0001","20.3565","0.0002","19.3212","0.0002","90","","94.288","0.0006","90","","5025.67","0.08","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H29 Cl2 N3 O6 -","- C25 H29 Cl2 N3 O6 -","- C200 H232 Cl16 N24 O48 -","8","2","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0693","0.0379","","0.0934","0.0876","0.0934","","","","","","0.821","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031964","14.8466","0.0006","9.9164","0.0004","15.3707","0.0006","90","","94.973","0.001","90","","2254.43","0.16","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H24 N5 O2 P Pd -","- C25 H24 N5 O2 P Pd -","- C100 H96 N20 O8 P4 Pd4 -","4","1","","Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola","Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling.","The Journal of organic chemistry","2016","81","7","2713","2729","10.1021/acs.joc.5b02475","","","0.71073","MoKα","","0.0274","0.0217","","","0.0531","0.0558","","","","","","0.91","","","","has coordinates","181367","2020-10-21","18:00:00",""
"4032073","7.0004","0.001","21.017","0.003","10.9249","0.0017","90","0.0015","100.084","0.0016","90","0.0015","1582.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1,2-bis(2-phenyl-1H-indol-3-yl)ethyne_1a","","","- C19 H18 N O2 -","- C19 H18 N O2 -","- C76 H72 N4 O8 -","4","1","","Ishikawa, Rino; Iwasawa, Ryosuke; Takiyama, Yuichiro; Yamauchi, Tomokazu; Iwanaga, Tetsuo; Takezaki, Makoto; Watanabe, Motonori; Teramoto, Naozumi; Shimasaki, Toshiaki; Shibata, Mitsuhiro","Synthesis of 1,2-Bis(2-aryl-1H-indol-3-yl)ethynes via 5-exo-Digonal Double Cyclization Reactions of 1,4-Bis(2-isocyanophenyl)buta-1,3-diyne with Aryl Grignard Reagents.","The Journal of organic chemistry","2017","82","1","652","663","10.1021/acs.joc.6b02668","","","0.7107","MoKα","","0.0489","0.0392","","","0.0952","0.1034","","","","","","1.052","","","","has coordinates","193531","2020-10-21","18:00:00",""
"4032406","9.1195","0.0006","27.0857","0.0019","8.3832","0.0006","90","","101.196","0.002","90","","2031.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H17 N3 O5 S2 -","- C22 H17 N3 O5 S2 -","- C88 H68 N12 O20 S8 -","4","1","","Das, Debapratim; Poddar, Puja; Maity, Saurabh; Samanta, Rajarshi","Rhodium(III)-Catalyzed C6-Selective Arylation of 2-Pyridones and Related Heterocycles Using Quinone Diazides: Syntheses of Heteroarylated Phenols.","The Journal of organic chemistry","2017","82","7","3612","3621","10.1021/acs.joc.7b00135","","","0.71073","MoKα","","0.0574","0.0415","","","0.1037","0.1125","","","","","","1.046","","","","has coordinates","196158","2020-10-21","18:00:00",""
"4032593","8.748","0.0006","24.241","0.0013","9.1766","0.0006","90","","118.248","0.002","90","","1714.24","0.19","297.1","","297","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H25 Br N2 -","- C17 H25 Br N2 -","- C68 H100 Br4 N8 -","4","1","","Figliola, Carlotta; Robertson, Katherine N.; Greening, Sarah; Thompson, Alison","Asymmetric Dipyrrin and F-BODIPYs Conjugated to Terminal Alkynes and Alkenes.","The Journal of organic chemistry","2017","82","13","7059","7064","10.1021/acs.joc.7b01129","","","0.7107","MoKα","","","0.0492","","","","0.06","","","","","","1.063","","","","has coordinates","200684","2020-10-21","18:00:00",""
"4032621","9.1845","0.0006","49.152","0.006","9.3517","0.0006","90","","92.324","0.005","90","","4218.2","0.6","300","","300","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C49 H43 N5 O2 S2 Zn -","- C49 H43 N5 O2 S2 Zn -","- C196 H172 N20 O8 S8 Zn4 -","4","1","","Roche, Cécile; Luo, Qianfu; Gil-Ramírez, Guzmán; Jiang, Hua-Wei; Kohn, Daniel R.; Xiong, Yaoyao; Thompson, Amber L.; Anderson, Harry L.","Unexpected Interactions between Alkyl Straps and Pyridine Ligands in Sulfur-Strapped Porphyrin Nanorings.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01128","","","1.54184","CuKα","","0.119","0.1028","","0.2579","0.2467","0.2579","","","","","","0.9997","","","","has coordinates","198584","2020-10-21","18:00:00",""
"4033906","8.6279","0.0001","26.7808","0.0005","9.8839","0.0002","90","","110.472","0.001","90","","2139.55","0.07","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H20 N4 O11 -","- C22 H20 N4 O11 -","- C88 H80 N16 O44 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0749","0.0438","","0.1052","0.0938","0.1052","","","","","","0.9482","","","","has coordinates","222482","2020-10-21","18:00:00",""
"4034394","15.485","0.003","9.779","0.004","26.384","0.004","90","","96.527","0.003","90","","3969.4","1.9","100","2","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C51 H38 Cl4 -","- C51 H38 Cl4 -","- C204 H152 Cl16 -","4","1","","Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Soriente, Annunziata; Geremia, Silvano; Hickey, Neal; Neri, Placido; Gaeta, Carmine","Synthesis, Characterization, and Solid-State Structure of [8]Cycloparaphenylenes with Inherent Chirality.","The Journal of organic chemistry","2019","84","15","9489","9496","10.1021/acs.joc.9b01026","","x-ray","0.7","Synchrotron","","0.1095","0.0912","","","0.2565","0.2725","","","","","","1.034","","","","has coordinates,has disorder","222929","2020-10-21","18:00:00",""
"4034444","13.341","0.006","16.117","0.004","17.567","0.006","90","","108.21","0.02","90","","3588","2","100","2","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C80 H112 O6 -","- C80 H112 O6 -","- C160 H224 O12 -","2","0.5","","Tranfić Bakić, Marina; Iuliano, Veronica; Talotta, Carmen; Geremia, Silvano; Hickey, Neal; Spinella, Aldo; De Rosa, Margherita; Soriente, Annunziata; Gaeta, Carmine; Neri, Placido","Threading of Conformationally Stable Calix[6]arene Wheels Substituted at the Methylene Bridges.","The Journal of organic chemistry","2019","84","18","11922","11927","10.1021/acs.joc.9b01779","","x-ray","0.7","Synchrotron","","0.0642","0.05","","","0.1314","0.1427","","","","","","1.049","","","","has coordinates","222962","2020-10-21","18:00:00",""
"4036434","13.164","0.005","18.507","0.007","18.469","0.007","90","","107.362","0.005","90","","4295","3","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C27 H21 N3 S -","- C27 H21 N3 S -","- C216 H168 N24 S8 -","8","2","","Yamaguchi, Kirara; Murai, Toshiaki; Hasegawa, Saki; Miwa, Yohei; Kutsumizu, Shoichi; Maruyama, Toshifumi; Sasamori, Takahiro; Tokitoh, Norihiro","5-N-Arylaminothiazoles as Highly Twisted Fluorescent Monocyclic Heterocycles: Synthesis and Characterization.","The Journal of organic chemistry","2015","80","21","10742","10756","10.1021/acs.joc.5b01963","","","0.71075","MoKα","","0.1393","0.0901","","","0.1917","0.2327","","","","","","1.16","","","","has coordinates","234687","2020-10-21","18:00:00",""
"4036470","11.471","0.0008","7.889","0.0007","15.246","0.001","90","","93.537","0.008","90","","1377.05","0.18","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","Degennaro, Leonardo; Carroccia, Laura; Parisi, Giovanna; Zenzola, Marina; Romanazzi, Giuseppe; Fanelli, Flavio; Pisano, Luisa; Luisi, Renzo","Regio- and Stereoselective Synthesis of Sulfur-Bearing Four-Membered Heterocycles: Direct Access to 2,4-Disubstituted Thietane 1-Oxides.","The Journal of organic chemistry","2015","80","24","12201","12211","10.1021/acs.joc.5b02126","","","0.71073","MoKα","","0.0989","0.0593","","","0.1434","0.1648","","","","","","1.047","","","","has coordinates","234736","2020-10-21","18:00:00",""
"4036546","12.5875","0.0004","11.6251","0.0003","15.0354","0.0004","90","","109.377","0.006","90","","2075.52","0.13","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H20 Br N3 O4 -","- C22 H20 Br N3 O4 -","- C88 H80 Br4 N12 O16 -","4","1","","Stucchi, Mattia; Lesma, Giordano; Meneghetti, Fiorella; Rainoldi, Giulia; Sacchetti, Alessandro; Silvani, Alessandra","Organocatalytic Asymmetric Biginelli-like Reaction Involving Isatin.","The Journal of organic chemistry","2016","81","5","1877","1884","10.1021/acs.joc.5b02680","","x-ray","0.71073","MoKα","","0.0714","0.0443","","","0.12","0.1363","","","","","","1.047","","","","has coordinates","234853","2020-10-21","18:00:00",""
"4036825","9.995","0.002","19.045","0.004","11.123","0.002","90","","98.823","0.01","90","","2092.3","0.7","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-((3R*,4R*)-2,2-bis(4-methoxyphenyl)-4-methyl-5-oxotetrahydrofuran-3-yl)- 1,3-dimethylurea","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C88 H104 N8 O20 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0917","0.0446","","","0.0922","0.1017","","","","","","0.999","","","","has coordinates","235291","2020-10-21","18:00:00",""
"4036835","23.225","0.011","7.409","0.003","23.144","0.01","90","","31.787","0.01","90","","2097.8","1.7","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(5R*,6R*)-6-(methoxybis(4-methoxyphenyl)methyl)-1,3,5- trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C92 H112 N8 O20 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.161","0.0537","","","0.0702","0.0823","","","","","","0.999","","","","has coordinates","235309","2020-10-21","18:00:00",""
"4036839","23.813","0.002","10.0379","0.0012","23.641","0.002","90","","19.1869","0.0014","90","","1857.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(5R*,6R*)-6-(bis(4-fluorophenyl)(hydroxy)methyl)-1,3,5-trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C20 H20 F2 N2 O3 -","- C20 H20 F2 N2 O3 -","- C80 H80 F8 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0952","0.0471","","","0.0963","0.1085","","","","","","0.993","","","","has coordinates","235316","2020-10-21","18:00:00",""
"4036840","8.9757","0.0014","10.4492","0.0012","18.317","0.003","90","","94.339","0.004","90","","1713","0.4","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-(5,5-bis(4-fluorophenyl)-3-methyl-2-oxooxazolidin-4-yl)-N-methylacetamide","","- C19 H18 F2 N2 O3 -","- C19 H18 F2 N2 O3 -","- C76 H72 F8 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0696","0.0389","","","0.0871","0.0937","","","","","","1.012","","","","has coordinates","235318","2020-10-21","18:00:00",""
"4036847","8.394","0.003","24.341","0.007","9.028","0.003","90","","84.55","0.03","90","","1836.2","1","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(R*)-2-((S*)-5,5-bis(4-fluorophenyl)-3-methyl-2-oxooxazolidin-4-yl)-2- fluoro-N-methylacetamide","","- C19 H17 F3 N2 O3 -","- C19 H17 F3 N2 O3 -","- C76 H68 F12 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.0687","0.0495","","","0.121","0.1295","","","","","","1.059","","","","has coordinates","235329","2020-10-21","18:00:00",""
"4036848","8.674","0.003","13.967","0.007","14.666","0.008","90","","91.24","0.04","90","","1776.4","1.5","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(5R*,6S*)-5-fluoro-6-(5-hydroxy-10,11-dihydro-5H-dibenzo[a,d][7] annulen-5-yl)-1,3-dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C21 H21 F N2 O3 -","- C21 H21 F N2 O3 -","- C84 H84 F4 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1198","0.0519","","","0.1117","0.1333","","","","","","0.945","","","","has coordinates","235330","2020-10-21","18:00:00",""
"4037372","14.206","0.004","17.517","0.005","15.368","0.003","90","","101.359","0.013","90","","3749.4","1.7","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","4-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-3-methylchroman-2-one","","- C25 H20 O2 -","- C25 H20 O2 -","- C200 H160 O16 -","8","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.2226","0.0502","","","0.0346","0.0422","","","","","","0.842","","","","has coordinates","236031","2020-10-21","18:00:00",""
"4037410","13.9787","0.0005","8.8699","0.0003","17.877","0.0006","90","","93.978","0.001","90","","2211.22","0.13","180","2","180","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H19 N O3 S2 -","- C26 H19 N O3 S2 -","- C104 H76 N4 O12 S8 -","4","1","","Galangau, Olivier; Delbaere, Stéphanie; Ratel-Ramond, Nicolas; Rapenne, Gwénaël; Li, Ruiji; Calupitan, Jan Patrick Dela Cruz; Nakashima, Takuya; Kawai, Tsuyoshi","Dual Photochemical Bond Cleavage for a Diarylethene-Based Phototrigger Containing both Methanolic and Acetic Sources.","The Journal of organic chemistry","2016","81","22","11282","11290","10.1021/acs.joc.6b02256","","","0.71073","MoKα","","0.0678","0.0528","","","","0.1486","","","","","","1.012","","","","has coordinates","236102","2020-10-21","18:00:00",""
"4038493","23.94","0.011","28.05","0.013","23.991","0.011","90","","119.85","0.008","90","","13973","11","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C147 H132 N16 O27 Zn -","- C147 H132 N16 O27 Zn -","- C588 H528 N64 O108 Zn4 -","4","1","","Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Makhseed, Saad","Multivalent Allyl-Substituted Macrocycles as Non-Aggregating Building Blocks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00859","","","0.71075","MoKα","","0.1687","0.1287","","","0.3375","0.3647","","","","","","1.259","","","","has coordinates,has disorder","253112","2020-10-21","18:00:00",""
"4060125","14.2343","0.0007","12.7285","0.0006","16.3992","0.0008","90","","92.0787","0.001","90","","2969.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","complex10","","","- C31 H38 Fe O P2 Si -","- C31 H38 Fe O P2 Si -","- C124 H152 Fe4 O4 P8 Si4 -","4","1","","Masaaki Okazaki","","Organometallics","2005","","","","","10.1021/om0492294","","x-ray","0.71069","MoKα","","0.1122","0.0832","","","0.1384","0.1479","","","","","","1.278","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060170","14.922","0.003","15.2334","0.0018","17.253","0.003","90","","95.452","0.008","90","","3904.1","1.2","253","2","253","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C40 H49 F3 O2 Ru2 Si2 -","- C40 H49 F3 O2 Ru2 Si2 -","- C160 H196 F12 O8 Ru8 Si8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049328h","","","0.71069","MoKα","","0.085","0.0493","","","0.1034","0.1145","","","","","","0.942","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060539","12.6104","0.0003","26.2334","0.0007","16.4217","0.0002","90","","103.418","0.001","90","","5284.2","0.2","173","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C55.4 H79.6 N1.2 O4 W -","- C55.4 H79.6 N1.2 O4 W -","- C221.6 H318.4 N4.8 O16 W4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050103w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4060609","18.6201","0.0001","10.8135","0.0001","20.8519","0.0002","90","","108.758","0.001","90","","3975.49","0.06","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C44 H49 F N4 O2 Ru -","- C44 H49 F N4 O2 Ru -","- C176 H196 F4 N16 O8 Ru4 -","4","1","","","","Organometallics","2006","","","","","10.1021/om0507427","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178495","2020-10-21","18:00:00",""
"4060701","18.624","0.0002","10.788","0.0001","20.845","0.0002","90","","108.802","0.001","90","","3964.6","0.07","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C44 H50 N4 O3 Ru -","- C44 H49.7 N4 O3 Ru -","- C176 H198.8 N16 O12 Ru4 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178496","2020-10-21","18:00:00",""
"4061056","14.133","0.004","22.108","0.006","29.505","0.008","90","","99.7","0.03","90","","9087","4","155.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C90 H92 F12 N2 O2 P8 Pt3 -","- C90 H80 F12 N2 O2 P8 Pt3 -","- C360 H320 F48 N8 O8 P32 Pt12 -","4","1","","Tanase, Tomoaki; Goto, Eri; Begum, Rowshan A.; Hamaguchi, Makiko; Zhan, Shuzhong; Iida, Masayasu; Sakai, Ken","Reactive Rigid-Rod Organometallic Polymers Involving Linear Triplatinum Units Connected by π-Conjugated Bisisocyanides","Organometallics","2004","23","25","5975","5988","10.1021/om0494566","","","","","","","","","","","","","","","","","","","","","has coordinates","209958","2020-10-21","18:00:00",""
"4061107","11.9872","0.0005","28.281","0.001","13.9403","0.0007","90","","94.231","0.003","90","","4713","0.4","193.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C53 H61 B Ir2 S2 -","- C53 H61 B Ir2 S2 -","- C212 H244 B4 Ir8 S8 -","4","1","","Lobana, Tarlok S.; Isobe, Kiyoshi; Kitayama, Hiroaki; Nishioka, Takanori; Doe, Matsumi; Kinoshita, Isamu","Nucleophilicity of Ligated S~2~^2-^ Ions. Conversion of Organic Chlorides into Organosulfur Compounds incis-[(MCp*)~2~(μ-CH~2~)~2~(μ-S2R)]^+^ (M = Rh, Ir)","Organometallics","2004","23","22","5347","5352","10.1021/om0495067","","","","","","","","","","","","","","","","","","","","","has coordinates","209970","2020-10-21","18:00:00",""
"4061161","14.888","0.003","8.022","0.004","16.723","0.003","90","","113.51","0.03","90","","1831.6","1","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C19 H24 N O2 Ta -","- C19 H28 N O2 Ta -","- C76 H112 N4 O8 Ta4 -","4","1","","Fandos, R.; Lopez-Solera, I.; Otero, A.; Rodriguez, A.M.; Ruiz, MJ.; Terreros, P.","Synthesis and Reactivity of Monocyclopentadienyl Tantalum Complexes with Pincer Dialkoxide Ligands.","Organometallics","2004","","","","","10.1021/om049582+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178508","2020-10-21","18:00:00",""
"4061215","16.103","0.002","8.642","0.001","17.032","0.002","90","","114.11","0.05","90","","2163.4","0.4","173","2","173","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C23 H23 Cl N O P Pt -","- C23 H23 Cl N O P Pt -","- C92 H92 Cl4 N4 O4 P4 Pt4 -","4","1","","Oberbeckmann-Winter, Nicola; Braunstein, Pierre; Welter, Richard","Electrophilic Activation: Unexpected Metal‒Metal Bond-Assisted Tl+ Chelation by a Pt-Benzyl Moiety Instead of Chloride Abstraction","Organometallics","2004","23","26","6311","6318","10.1021/om049282s","","","","","","","","","","","","","","","","","","","","","has coordinates","209881","2020-10-21","18:00:00",""
"4061218","11.094","0.001","12.717","0.001","16.605","0.001","90","","104.04","0.05","90","","2272.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C23.5 H22 Cl2 N O2 P Pt -","- C23.5 H22 Cl2 N O2 P Pt -","- C94 H88 Cl8 N4 O8 P4 Pt4 -","4","1","","Oberbeckmann-Winter, Nicola; Braunstein, Pierre; Welter, Richard","Electrophilic Activation: Unexpected Metal‒Metal Bond-Assisted Tl+ Chelation by a Pt-Benzyl Moiety Instead of Chloride Abstraction","Organometallics","2004","23","26","6311","6318","10.1021/om049282s","","","","","","","","","","","","","","","","","","","","","has coordinates","209881","2020-10-21","18:00:00",""
"4061378","17.9746","0.0003","27.7046","0.0006","16.6001","0.0003","90","","90.846","0.001","90","","8265.6","0.3","213.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C95 H77 B N4 O4 P4 Rh4 -","- C95 H77 B N4 O4 P4 Rh4 -","- C380 H308 B4 N16 O16 P16 Rh16 -","4","1","","Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Tetranuclear Complexes Based on a Dynamic Metal-Metal Linkage, [(μ~4~-X)Rh~4~(CO)~4~(PNNP)~2~]^n+^ (X/n = RC⋮C/1 (Acetylide), C~2~/0 (Dicarbide))","Organometallics","2004","23","3","317","319","10.1021/om034315+","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061406","17.043","0.007","14.992","0.006","23.022","0.009","90","","109.605","0.002","90","","5541.3","3.9","223.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H22 O5 Ru2 Sn -","- C30 H22 O5 Ru2 Sn -","- C240 H176 O40 Ru16 Sn8 -","8","2","","Gridnev, Ilya D.; del Rosario, Mia Karenina C.","","Organometallics","2005","","","","","10.1021/om050039i","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061592","21.6066","0.0002","29.4422","0.0002","31.0882","0.0003","90","","91.023","0.001","90","","19773.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C204 H180 Fe4 N8 P8 -","- C204 Fe4 N8 P8 -","- C816 Fe16 N32 P32 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050403d","","","","","","","","","","","","","","","","","","","","","has coordinates","178512","2020-10-21","18:00:00",""
"4062176","19.276","0.012","18.25","0.012","9.935","0.007","90","","96.6","0.05","90","","3472","4","150","1","150","1","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C37 H23 B F15 N Ni O2 -","- C37 H23 B F15 N Ni O2 -","- C148 H92 B4 F60 N4 Ni4 O8 -","4","1","","Shim, Chang Bo; Kim, Young Heui; Lee, Bun Yeoul; Dong, Yongkwan; Yun, Hoseop","[2-(Alkylideneamino)benzoato]nickel(II) Complexes: Active Catalysts for Ethylene Polymerization","Organometallics","2003","22","21","4272","4280","10.1021/om0303303","","","","","","","","","","","","","","","","","","","","","has coordinates","192084","2020-10-21","18:00:00",""
"4062319","20.2345","0.0008","15.8819","0.0006","24.428","0.001","90","","91.356","0.001","90","","7848","0.5","160","1","160","1","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C73 H96 Cl O13 P2 Rh Si8 -","- C73 H96 Cl O13 P2 Rh Si8 -","- C292 H384 Cl4 O52 P8 Rh4 Si32 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178519","2020-10-21","18:00:00",""
"4062422","14.8574","0.0006","10.9612","0.0004","17.2178","0.0005","90","","107.723","0.0012","90","","2670.93","0.16","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C26 H23 Fe2 Ga N2 O6 -","- C26 H23 Fe2 Ga N2 O6 -","- C104 H92 Fe8 Ga4 N8 O24 -","4","1","","Ueno, Keiji; Watanabe, Takahito; Tobita, Hiromi; Ogino, Hiroshi","Synthesis and Structure of the First Dinuclear Complex Bridged by a Substituent-Free Gallium Atom","Organometallics","2003","22","22","4375","4377","10.1021/om034073d","","","","","","","","","","","","","","","","","","","","","has coordinates","192089","2020-10-21","18:00:00",""
"4062520","15.5038","0.0008","11.4661","0.0006","18.013","0.001","90","","92.326","0.001","90","","3199.5","0.3","143.2","","143.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H53 B O2 P3 Rh -","- C29 H53 B O2 P3 Rh -","- C116 H212 B4 O8 P12 Rh4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om030686e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062880","9.487","0.001","10.136","0.002","13.331","0.003","90","","97.759","0.01","90","","1270","0.4","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H13 N Se -","- C14 H13 N Se -","- C56 H52 N4 Se4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0497339","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062889","13.646","0.0009","6.006","0.0007","20.478","0.0014","90","","96.767","0.006","90","","1666.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H10 Fe2 O6 -","- C18 H10 Fe2 O6 -","- C72 H40 Fe8 O24 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049739y","","","","","","","","","","","","","","","","","","","","","has coordinates","178524","2020-10-21","18:00:00",""
"4062971","11.9568","0.0007","16.075","0.001","21.155","0.001","90","","105.516","0.001","90","","3917.9","0.4","153.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H20 N O P Zr -","- C22 H20 O1.88 P Zr -","- C176 H160 O15.04 P8 Zr8 -","8","2","","","","Organometallics","2004","","","","","10.1021/om0497994","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062995","10.611","0.002","35.051","0.007","9.682","0.0019","90","","105.03","0.03","90","","3477.8","1.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C39 H45 N Ni P2 -","- C39 H45 N Ni P2 -","- C156 H180 N4 Ni4 P8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0498145","","","","","","","","","","","","","","","","","","","","","has coordinates","178525","2020-10-21","18:00:00",""
"4063186","15.833","0.0003","10.667","0.0002","19.879","0.0004","90","","100.676","0.0011","90","","3299.26","0.11","110","2","110","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C37 H42 N O3.5 Ta -","- C37 H40 N O3.5 Ta -","- C148 H160 N4 O14 Ta4 -","4","1","","Groysman, Stanislav; Goldberg, Israel; Kol, Moshe; Genizi, Elisheva; Goldschmidt, Zeev","Tribenzyl Tantalum(V) Complexes of Amine Bis(phenolate) Ligands: Investigation of α-Abstraction vs. Ligand-β-Abstraction Paths","Organometallics","2004","23","8","1880","1890","10.1021/om0499761","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4063196","8.705","0.009","30.38","0.01","8.167","0.004","90","","91.53","0.06","90","","2159","2","296","1","296","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H4 As Cl F18 -","- C18 H4 As Cl F18 -","- C72 H16 As4 Cl4 F72 -","4","1","","Neil Burford; Charles L. B. Macdonald; Daren J. LeBlanc; T. Stanley Cameron","Synthesis and Characterization of Bis(2,4,6-tris(trifluoromethyl)phenyl) Derivatives of Arsenic and Antimony: X-ray Crystal Structures of As(RF)2Cl, Sb(RF)2Cl, and Sb(RF)2OSO2CF3","Organometallics","2000","19","","152","155","10.1021/om990768w","","","0.71073","MoKα","","","0.067","","","0.073","0.073","","","","","","1.73","","","","has coordinates,has disorder","178526","2020-10-21","18:00:00",""
"4063547","14.647","0.002","16.757","0.002","19.581","0.003","90","","90.797","0.004","90","","4805.5","1.1","193.1","","193.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C48 H58 N2 S4 Ta2 -","- C48 H58 N2 S4 Ta2 -","- C192 H232 N8 S16 Ta8 -","4","1","","Takada, Ryoichi; Hirotsu, Masakazu; Nishioka, Takanori; Hashimoto, Hideki; Kinoshita, Isamu","Sulfur-Bridged Ta‒M (M = Mo, Cr) Multinuclear Complexes Bearing a Four-Electron-Reduced Dinitrogen Ligand","Organometallics","2011","30","16","4232","","10.1021/om200596v","","","0.7107","MoKα","","0.0905","0.0605","","","0.0948","0.1027","","","","","","1.145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063954","12.1843","0.0009","20.2214","0.0015","13.8982","0.001","90","","109.942","0.0016","90","","3219","0.4","298.1","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C34 H50 O Os P2 -","- C34 H50 O Os P2 -","- C136 H200 O4 Os4 P8 -","4","1","","Ogasawara, Masamichi; Shintani, Minoru; Watanabe, Susumu; Sakamoto, Takeshi; Nakajima, Kiyohiko; Takahashi, Tamotsu","Preparation of Osmium η5-Phospholide Complexes and Their Reactions with Acyl Electrophiles: C═O Bond Cleavage and C−C Bond Formation within the Metal Coordination Sphere","Organometallics","2011","30","6","1487","","10.1021/om101060n","","","0.71075","MoKα","","","0.0472","","","","0.0967","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063966","16.742","0.006","11.467","0.003","18.309","0.005","90","","102.033","0.013","90","","3437.7","1.8","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H50 Co2 N2 O4 -","- C30 H50 Co2 N2 O4 -","- C120 H200 Co8 N8 O16 -","4","1","","Takemoto, Shin; Honma, Takashi; Matsuzaka, Hiroyuki","Dinuclear Cp*Co Amido and Alkoxo Complexes: Synthesis, Structures, and Reactivity","Organometallics","2011","30","5","1013","","10.1021/om101065z","","","0.71075","MoKα","","0.058","0.0404","","","0.1141","0.1256","","","","","","1.016","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4064088","18.72","0.004","8.585","0.002","19.149","0.004","90","","105.616","0.009","90","","2963.9","1.1","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32 H39 N O3 Ru2 -","- C32 H39 N O3 Ru2 -","- C128 H156 N4 O12 Ru8 -","4","1","","Takemoto, Shin; Kobayashi, Tomoharu; Ito, Takahiro; Inui, Akira; Karitani, Kenji; Katagiri, Sayuri; Masuhara, Yusaku; Matsuzaka, Hiroyuki","Synthesis and Reactivity of Coordinatively Unsaturated Dinuclear Ruthenium Bridging Imido Complexes","Organometallics","2011","30","8","2160","","10.1021/om1011227","","","0.71075","MoKα","","0.038","0.0338","","","0.0851","0.0879","","","","","","1.065","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064227","13.9107","0.0016","9.2872","0.0014","15.615","0.003","90","","109.052","0.012","90","","1906.8","0.5","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H10 Co2 Fe O6 -","- C20 H10 Co2 Fe O6 -","- C80 H40 Co8 Fe4 O24 -","4","1","","Nievas, Ángel; González, Jorge J.; Hernández, Elisa; Delgado, Esther; Martín, Avelino; Casado, Carmen M.; Alonso, Beatriz","Hydrosilylation of Ferrocenylalkyne−Dicobalthexacarbonyl Complexes. Model Reactions for the Synthesis of Organometallic Dendrimers","Organometallics","2011","30","7","1920","","10.1021/om1011903","","x-ray","0.71073","MoKα","","0.0821","0.0389","","","0.0824","0.1009","","","","","","0.847","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064346","9.035","0.005","36.801","0.005","10.84","0.005","90","0.005","99.37","0.005","90","0.005","3556","3","223","2","223","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","6satMesHG2","","","- C38 H46 Cl2 N2 O Ru -","- C38 H46 Cl2 N2 O Ru -","- C152 H184 Cl8 N8 O4 Ru4 -","4","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Olefin Metathesis Catalysts ContainingN,N′-Diamidocarbenes","Organometallics","2011","30","8","2278","","10.1021/om200061c","","","0.71069","MoKα","","0.0768","0.0624","","","0.1596","0.1766","","","","","","1.006","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064486","14.5564","0.0005","8.1265","0.0002","19.5917","0.0006","90","","112.229","0.001","90","","2145.32","0.11","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H29 N Si2 -","- C22 H29 N Si2 -","- C88 H116 N4 Si8 -","4","1","","Masuda, Kohei; Ohmura, Toshimichi; Suginome, Michinori","2-Vinylindoles As the Four-Atom Component in a Catalytic [4+1] Cycloaddition with a Silylene-Palladium Species Generated from (Aminosilyl)boronic Ester","Organometallics","2011","30","6","1322","","10.1021/om200135u","","","0.71075","MoKα","","0.0451","0.0349","","","0.0882","0.094","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4064657","16.0677","0.001","12.5702","0.0008","18.8993","0.0011","90","","94.35","0.001","90","","3806.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C73 H74 Cl2 N8 O4 Pd4 -","- C73 H74 Cl2 N8 O4 Pd4 -","- C146 H148 Cl4 N16 O8 Pd8 -","2","0.5","","Serrano, José Luis; García, Luis; Pérez, José; Pérez, Eduardo; García, Joaquín; Sánchez, Gregorio; Sehnal, Petr; De Ornellas, Sara; Williams, Thomas J.; Fairlamb, Ian J. S.","Synthesis and Characterization of Imine-Palladacycles Containing Imidate “Pseudohalide” Ligands: Efficient Suzuki‒Miyaura Cross-Coupling Precatalysts and Their Activation To Give Pd0LnSpecies (L = Phosphine)","Organometallics","2011","30","19","5095","","10.1021/om2002443","","","0.71073","MoKα","","0.0873","0.0806","","","0.2419","0.2488","","","","","","1.08","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064666","10.061","0.002","11.892","0.003","13.945","0.003","90","","102.126","0.006","90","","1631.2","0.6","296.1","","296.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H20 O2 S -","- C17 H18 O2 S -","- C68 H72 O8 S4 -","4","1","","Higuchi, Yoshihiro; Atobe, Shingo; Tanaka, Michiru; Kamiya, Ikuyo; Yamamoto, Takuya; Nomoto, Akihiro; Sonoda, Motohiro; Ogawa, Akiya","Cobalt-Catalyzed Thiolative Lactonization of Alkynes with Double CO Incorporation","Organometallics","2011","30","17","4539","","10.1021/om200248f","","","0.71075","MoKα","","","0.1292","","","","0.1304","","","","","","1.17","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064804","18.87","0.003","18.146","0.003","11.1925","0.0013","90","","103.291","0.01","90","","3729.8","1","200","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C43 H44 P2 Pt S2 -","- C43 H44 P2 Pt S2 -","- C172 H176 P8 Pt4 S8 -","4","1","","Hirano, Masafumi; Tatesawa, Shin-ya; Yabukami, Minoru; Ishihara, Yoko; Hara, Yusuke; Komine, Nobuyuki; Komiya, Sanshiro","Carbon‒Hydrogen Bond Cleavage Reaction in Four-Coordinate (2,6-Dimethylbenzenethiolato)platinum(II) Complexes. Dramatic Acceleration by Thiolato Hydrogen Acceptor","Organometallics","2011","30","19","5110","","10.1021/om200345h","","","0.71069","MoKα","","","0.03","","","","0.0725","","","","","","0.564","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065239","7.5434","0.0007","14.7364","0.0017","13.8726","0.0008","90","","99.146","0.008","90","","1522.5","0.2","200","","200","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(Z)-5-bromo-2-(ferrocenylidene)benzofuran-3-one","","- C19 H13 Br Fe O2 -","- C19 H13 Br Fe O2 -","- C76 H52 Br4 Fe4 O8 -","4","1","","Tiwari, Keshri Nath; Monserrat, Jean-Philippe; de Montigny, Fréderic; Jaouen, Gérard; Rager, Marie-Noelle; Hillard, Elizabeth","Synthesis and Structural Characterization of Ferrocenyl-Substituted Aurones, Flavones, and Flavonols","Organometallics","2011","30","20","5424","","10.1021/om200644e","","","0.71073","MoKα","","0.0644","0.0365","","0.0622","0.0506","0.0622","","","","","","0.9735","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065822","16.135","0.005","17.906","0.006","17.808","0.006","90","","104.503","0.004","90","","4981","3","193.1","","193","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C19.5 H23 Cl F6 N3 O4 Rh S2 -","- C19.5 H23 Cl F6 N3 O4 Rh S2 -","- C156 H184 Cl8 F48 N24 O32 Rh8 S16 -","8","2","","Ito, Masato; Tejima, Noriko; Yamamura, Masahiro; Endo, Yoshinori; Ikariya, Takao","Synthesis and Structure of Protic Amine Tethered Rhodium(III) Peralkylcyclopentadienyl Complexes","Organometallics","2010","29","8","1886","","10.1021/om100151m","","","0.7107","MoKα","","","0.0332","","","","0.1199","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066287","19.6933","0.001","12.9267","0.0006","33.0686","0.0019","90","","96.509","0.003","90","","8364","0.8","103","2","103","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C64 H128 Si12 Sn2 -","- C64 H128 Si12 Sn2 -","- C256 H512 Si48 Sn8 -","4","1","","Mizuhata, Yoshiyuki; Noda, Naoya; Tokitoh, Norihiro","Generation of Stannabenzenes and Their Properties†","Organometallics","2010","29","21","4781","","10.1021/om100382n","","","0.71069","MoKα","","0.3092","0.1464","","","0.2591","0.3499","","","","","","1.107","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4066446","12.543","0.005","17.317","0.006","14.967","0.006","90","","99.651","0.005","90","","3205","2","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C29 H50 O Si5 -","- C29 H50 O Si5 -","- C116 H200 O4 Si20 -","4","1","","Ishida, Shintaro; Iwamoto, Takeaki; Kira, Mitsuo","Reactions of an Isolable Dialkylsilylene with Ketones†","Organometallics","2010","29","21","5526","","10.1021/om1004644","","","0.7107","MoKα","","0.0819","0.066","","","0.1072","0.112","","","","","","1.229","","","","has coordinates","178556","2020-10-21","18:00:00",""
"4066552","19.1114","0.0002","17.4561","0.0002","23.8977","0.0003","90","","113.328","0.0004","90","","7320.82","0.15","150","","150","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Sm2(O2N_Pr)2(BH4)2 . C5H12","","- C71 H122 B2 N2 O4 Sm2 -","- C71 H122 B2 N2 O4 Sm2 -","- C284 H488 B8 N8 O16 Sm8 -","4","1","","Dyer, Hellen E.; Huijser, Saskia; Susperregui, Nicolas; Bonnet, Fanny; Schwarz, Andrew D.; Duchateau, Robbert; Maron, Laurent; Mountford, Philip","Ring-Opening Polymerization ofrac-Lactide by Bis(phenolate)amine-Supported Samarium Borohydride Complexes: An Experimental and DFT Study","Organometallics","2010","29","16","3602","","10.1021/om100513j","","","0.71073","MoKα","","0.0464","0.0318","","0.0502","0.0386","0.0386","","","","","","1.0536","","","","has coordinates","178557","2020-10-21","18:00:00",""
"4066652","18.3723","0.0013","5.1602","0.0004","19.2084","0.0012","90","","95.2419","0.0018","90","","1813.4","0.2","103.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H13 Bi S2 -","- C22 H13 Bi S2 -","- C88 H52 Bi4 S8 -","4","1","","Ohshita, Joji; Matsui, Shigenori; Yamamoto, Roh; Mizumo, Tomonobu; Ooyama, Yousuke; Harima, Yutaka; Murafuji, Toshihiro; Tao, Keisuke; Kuramochi, Yusuke; Kaikoh, Takashi; Higashimura, Hideyuki","Synthesis of Dithienobismoles as Novel Phosphorescence Materials","Organometallics","2010","29","15","3239","","10.1021/om100560n","","","0.71075","MoKα","","","0.0558","","","","0.0675","","","","","","4.126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066735","15.0494","0.0003","18.1995","0.0003","17.5116","0.0004","90","","95.986","0.001","90","","4770.13","0.16","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H40 O4 P2 Pt -","- C18 H40 O4 P2 Pt -","- C144 H320 O32 P16 Pt8 -","8","2","","Achard, Thierry; Giordano, Laurent; Tenaglia, Alphonse; Gimbert, Yves; Buono, Gérard","Steric Control in the Synthesis of Phosphinous Acid-Coordinated Mono- and Binuclear Platinum(II) Complexes","Organometallics","2010","29","17","3936","","10.1021/om100602j","","x-ray","0.71073","MoKα","","0.166","0.0665","","","0.0833","0.1027","","","","","","1.024","","","","has coordinates","178559","2020-10-21","18:00:00",""
"4066739","13.278","0.0003","10.29652","0.00019","17.7101","0.0003","90","","109.412","0.001","90","","2283.63","0.08","113","2","113","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","3c","","","- C28 H29 Ir N2 O2 -","- C28 H29 Ir N2 O2 -","- C112 H116 Ir4 N8 O8 -","4","1","","Tsurugi, Hayato; Fujita, Shingo; Choi, Gyeongshin; Yamagata, Tsuneaki; Ito, Syoji; Miyasaka, Hiroshi; Mashima, Kazushi","Carboxylate Ligand-Induced Intramolecular C−H Bond Activation of Iridium Complexes withN-Phenylperimidine-Based Carbene Ligands","Organometallics","2010","29","18","4120","","10.1021/om100604u","","","0.71075","MoKα","","0.0263","0.0249","","","0.0585","0.0611","","","","","","1.132","","","","has coordinates","178559","2020-10-21","18:00:00",""
"4066808","21.311","0.004","14.095","0.003","12.489","0.003","90","","91.66","0.019","90","","3749.9","1.4","295","2","295","","","","","","","","see text","4","P 1 21/a 1","-P 2yab","14","","1,2,3,4,5-penta(methoxycarbonyl)-1'-(2,3,4,5-tetra(methoxycarbonyl)cyclopentadienyl)ruthenocene","","- C35 H34 O20 Ru -","- C35 H34 O20 Ru -","- C140 H136 O80 Ru4 -","4","1","","Micallef, Leanne S.; Loughrey, Bradley T.; Healy, Peter C.; Parsons, Peter G.; Williams, Michael L.","Synthesis, Spectroscopic Characterization, and Cytotoxic Evaluation of Pentasubstituted Ruthenocenyl Esters","Organometallics","2010","29","23","6237","","10.1021/om100645y","","","0.71069","MoKα","","0.0821","0.0438","","","0.1136","0.13","","","","","","1.023","","","","has coordinates","178560","2020-10-21","18:00:00",""
"4067909","18.422","0.004","9.396","0.002","18.534","0.004","90","","116.506","0.008","90","","2870.9","1.1","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C22 H31 F12 In N2 O2 Si -","- C22 H31 F12 In N2 O2 Si -","- C88 H124 F48 In4 N8 O8 Si4 -","4","1","","Normand, Mickael; Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Indium Complexes of Fluorinated Dialkoxy-Diimino Salen-like Ligands for Ring-Opening Polymerization ofrac-Lactide: How Does Indium Compare to Aluminum?","Organometallics","2012","31","4","1448","","10.1021/om200906e","","x-ray","0.71073","MoKα","","0.035","0.0283","","","0.0591","0.0615","","","","","","1.098","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067911","12.6196","0.0016","7.2451","0.0011","18.583","0.003","90","","93.935","0.008","90","","1695","0.4","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C15 H18 Al F6 N O -","- C15 H18 Al F6 N O -","- C60 H72 Al4 F24 N4 O4 -","4","1","","Bouyahyi, Miloud; Roisnel, Thierry; Carpentier, Jean-François","Aluminum Complexes of Bidentate Fluorinated Alkoxy-Imino Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters","Organometallics","2012","31","4","1458","","10.1021/om200907x","","x-ray","0.71073","MoKα","","0.0654","0.047","","","0.09","0.0972","","","","","","1.032","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067974","14.818","0.002","9.6743","0.0012","19.402","0.003","90","","104.771","0.0018","90","","2689.4","0.6","200","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H31 O2 P Ru -","- C33 H28 O2 P Ru -","- C132 H112 O8 P4 Ru4 -","4","1","","Hirano, Masafumi; Murakami, Masahiro; Kuga, Toshinori; Komine, Nobuyuki; Komiya, Sanshiro","Acid-Promoted sp3C‒H Bond Cleavage in a Series of (2-Allylphenoxo)ruthenium(II) Complexes. Mechanistic Insight into the Aryloxo‒Acid Interaction and Bond Cleavage Reaction","Organometallics","2012","31","1","381","","10.1021/om200974c","","","0.71075","MoKα","","","0.0479","","","","0.1492","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067976","14.794","0.003","9.6171","0.0018","19.264","0.004","90","","104.841","0.003","90","","2649.4","0.9","200","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H28 Br O P Ru -","- C32 H28 Br O P Ru -","- C128 H112 Br4 O4 P4 Ru4 -","4","1","","Hirano, Masafumi; Murakami, Masahiro; Kuga, Toshinori; Komine, Nobuyuki; Komiya, Sanshiro","Acid-Promoted sp3C‒H Bond Cleavage in a Series of (2-Allylphenoxo)ruthenium(II) Complexes. Mechanistic Insight into the Aryloxo‒Acid Interaction and Bond Cleavage Reaction","Organometallics","2012","31","1","381","","10.1021/om200974c","","","0.71075","MoKα","","","0.0452","","","","0.1413","","","","","","0.941","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067977","14.776","0.004","9.721","0.002","19.162","0.005","90","","105.616","0.004","90","","2650.8","1.1","200","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H28 N O3 P Ru -","- C32 H28 N O3 P Ru -","- C128 H112 N4 O12 P4 Ru4 -","4","1","","Hirano, Masafumi; Murakami, Masahiro; Kuga, Toshinori; Komine, Nobuyuki; Komiya, Sanshiro","Acid-Promoted sp3C‒H Bond Cleavage in a Series of (2-Allylphenoxo)ruthenium(II) Complexes. Mechanistic Insight into the Aryloxo‒Acid Interaction and Bond Cleavage Reaction","Organometallics","2012","31","1","381","","10.1021/om200974c","","","0.71075","MoKα","","","0.0494","","","","0.1036","","","","","","0.806","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068419","19.8889","0.0012","10.1284","0.0006","20.0295","0.0012","90","","102.708","0.002","90","","3936","0.4","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C43.7 H45.1 Cl0.3 O2 P2 Pd Ti -","- C43.7 H44.7 Cl0.3 O2 P2 Pd Ti -","- C174.8 H178.8 Cl1.2 O8 P8 Pd4 Ti4 -","4","1","","Mizuta, Tsutomu; Miyaji, Chihiro; Katayama, Takafumi; Ushio, Jun-ichi; Kubo, Kazuyuki; Miyoshi, Katsuhiko","Bi- and Trinuclear Complexes of Group 4 Metal and Palladium Bridged by OPPh2Groups: Synthesis and High Catalytic Activities in Double Hydrophosphinylation of 1-Octyne","Organometallics","2009","28","2","539","","10.1021/om8008298","","","0.71075","MoKα","","0.1741","0.0975","","","0.1535","0.1822","","","","","","1.154","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4068420","19.926","0.0002","10.277","0.0001","32.497","0.0003","90","","93.17","0.001","90","","6644.54","0.11","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C36 H36 O2 P2 Pd Zr -","- C36 H36 O2 P2 Pd Zr -","- C288 H288 O16 P16 Pd8 Zr8 -","8","2","","Mizuta, Tsutomu; Miyaji, Chihiro; Katayama, Takafumi; Ushio, Jun-ichi; Kubo, Kazuyuki; Miyoshi, Katsuhiko","Bi- and Trinuclear Complexes of Group 4 Metal and Palladium Bridged by OPPh2Groups: Synthesis and High Catalytic Activities in Double Hydrophosphinylation of 1-Octyne","Organometallics","2009","28","2","539","","10.1021/om8008298","","","0.71069","MoKα","","0.0616","0.0521","","","0.1437","0.1507","","","","","","1.054","","","","has coordinates,has disorder","178574","2020-10-21","18:00:00",""
"4068421","19.899","0.0001","10.263","0.0001","32.422","0.0001","90","","93.088","0.001","90","","6611.72","0.08","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C36 H36 Hf O2 P2 Pd -","- C36 H36 Hf O2 P2 Pd -","- C288 H288 Hf8 O16 P16 Pd8 -","8","2","","Mizuta, Tsutomu; Miyaji, Chihiro; Katayama, Takafumi; Ushio, Jun-ichi; Kubo, Kazuyuki; Miyoshi, Katsuhiko","Bi- and Trinuclear Complexes of Group 4 Metal and Palladium Bridged by OPPh2Groups: Synthesis and High Catalytic Activities in Double Hydrophosphinylation of 1-Octyne","Organometallics","2009","28","2","539","","10.1021/om8008298","","","0.71069","MoKα","","0.0336","0.031","","","0.0793","0.0807","","","","","","1.04","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068461","11.748","0.004","15.925","0.004","18.487","0.004","90","","97.46","0.02","90","","3429.4","1.6","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C39 H31 Cl3 N P Pt -","- C39 H31 Cl3 N P Pt -","- C156 H124 Cl12 N4 P4 Pt4 -","4","1","","Martín, Raquel; Crespo, Margarita; Font-Bardia, Mercè; Calvet, Teresa","Five- and Seven-Membered Metallacycles in [C,N,N′] and [C,N] Cycloplatinated Compounds","Organometallics","2009","28","2","587","","10.1021/om800864f","","","0.71073","MoKα","","0.0524","0.0374","","","0.0859","0.0908","","","","","","1.146","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068524","9.3691","0.0005","23.7556","0.0013","10.1652","0.0005","90","","104.076","0.0014","90","","2194.5","0.2","273.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C42 H52 Cl2 In2 P2 -","- C42 H52 Cl2 In2 P2 -","- C84 H104 Cl4 In4 P4 -","2","0.5","","Yasuda, Makoto; Kiyokawa, Kensuke; Osaki, Kenji; Baba, Akio","Radical Coupling of Iodocarbonyl Compounds with Butenylindium Generated by Transmetalation between Cyclopropylmethylstannane and Indium Halides","Organometallics","2009","28","1","132","","10.1021/om8009156","","","0.71075","MoKα","","","0.0449","","","","0.0576","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068541","19.3262","0.0004","17.6404","0.0003","20.3767","0.0004","90","","112.483","0.003","90","","6418.9","0.3","175","2","175","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C34 H58 Mn -","- C34 H58 Mn -","- C272 H464 Mn8 -","8","2","","Walter, Marc D.; Sofield, Chadwick D.; Booth, Corwin H.; Andersen, Richard A.","Spin Equilibria in Monomeric Manganocenes: Solid-State Magnetic and EXAFS Studies","Organometallics","2009","28","7","2005","","10.1021/om800922j","","","0.71073","MoKα","","0.0978","0.0491","","","0.1068","0.1266","","","","","","0.981","","","","has coordinates","178575","2020-10-21","18:00:00",""
"4068543","18.5652","0.0018","22.341","0.002","19.5687","0.0019","90","","108.735","0.002","90","","7686.4","1.3","131","2","131","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H58 Mn Si6 -","- C28 H58 Mn Si6 -","- C224 H464 Mn8 Si48 -","8","2","","Walter, Marc D.; Sofield, Chadwick D.; Booth, Corwin H.; Andersen, Richard A.","Spin Equilibria in Monomeric Manganocenes: Solid-State Magnetic and EXAFS Studies","Organometallics","2009","28","7","2005","","10.1021/om800922j","","","0.71073","MoKα","","0.0934","0.0532","","","0.1275","0.1468","","","","","","1.007","","","","has coordinates,has disorder","178575","2020-10-21","18:00:00",""
"4068785","9.0679","0.0011","16.1554","0.0017","10.0257","0.0011","90","","107.737","0.004","90","","1398.9","0.3","173.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C64 H80 O8 -","4","1","","Yamauchi, Yoshihiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Ruthenium-Catalyzed Oxypropargylation of Alkenes","Organometallics","2009","28","1","48","","10.1021/om801092a","","","0.71075","MoKα","","","0.0519","","","","0.1282","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068978","12.4278","0.0006","12.3734","0.0006","12.7793","0.0007","90","","91.7271","0.0017","90","","1964.23","0.17","193.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 Al Cl F5 N O -","- C18 H16 Al Cl F5 N O -","- C72 H64 Al4 Cl4 F20 N4 O4 -","4","1","","Iwasa, Naruhito; Katao, Shohei; Liu, Jingyu; Fujiki, Michiya; Furukawa, Yoshiro; Nomura, Kotohiro","Notable Effect of Fluoro Substituents in the Imino Group in Ring-Opening Polymerization of ε-Caprolactone by Al Complexes Containing Phenoxyimine Ligands","Organometallics","2009","28","7","2179","","10.1021/om8011882","","","0.71075","MoKα","","","0.0319","","","","0.0948","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069001","19.245","0.002","10.3843","0.0011","20.931","0.002","90","","116.442","0.003","90","","3745.4","0.7","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C40 H30 Br2 Cr N3 O Si -","- C40 H30 Br2 Cr N3 O Si -","- C160 H120 Br8 Cr4 N12 O4 Si4 -","4","1","","Kirillov, Evgueni; Roisnel, Thierry; Razavi, Abbas; Carpentier, Jean-François","Chromium(III) Complexes of Sterically Crowded Bidentante {ONR} and Tridentate {ONNR} Naphthoxy-Imine Ligands: Syntheses, Structures, and Use in Ethylene Oligomerization‡","Organometallics","2009","28","8","2401","","10.1021/om801196d","","x-ray","0.71073","MoKα","","0.1434","0.0808","","","0.2367","0.2666","","","","","","1.059","","","","has coordinates","178507","2020-10-21","18:00:00",""
"4069011","27.5968","0.001","8.2103","0.0003","27.1892","0.001","90","","152.136","0.001","90","","2879.2","0.2","120","1","120","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","3a","","","- C33 H37 N2 O2 Ta -","- C33 H37 N2 O2 Ta -","- C132 H148 N8 O8 Ta4 -","4","1","","Tsurugi, Hayato; Ohno, Takashi; Kanayama, Tsuyoshi; Arteaga-Müller, Rocío A.; Mashima, Kazushi","Tantalum−Benzylidene Complexes Supported by C5Me5and Diazadiene Ligands: Synthesis, Kinetic Analysis of the Formation, and Reactive Studies","Organometallics","2009","28","6","1950","","10.1021/om8012019","","","0.71075","MoKα","","0.0511","0.0379","","","0.0939","0.0983","","","","","","1.095","","","","has coordinates","178507","2020-10-21","18:00:00",""
"4069012","12.619","0.004","15.828","0.006","17.562","0.006","90","","104.69","0.03","90","","3393","2","120","1","120","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","7","","","- C38 H47 N3 O2 Ta -","- C38 H47 N3 O2 Ta -","- C152 H188 N12 O8 Ta4 -","4","1","","Tsurugi, Hayato; Ohno, Takashi; Kanayama, Tsuyoshi; Arteaga-Müller, Rocío A.; Mashima, Kazushi","Tantalum−Benzylidene Complexes Supported by C5Me5and Diazadiene Ligands: Synthesis, Kinetic Analysis of the Formation, and Reactive Studies","Organometallics","2009","28","6","1950","","10.1021/om8012019","","","0.71075","MoKα","","0.0814","0.046","","","0.0859","0.0937","","","","","","1.019","","","","has coordinates","178507","2020-10-21","18:00:00",""
"4069481","13.3701","0.0019","9.6363","0.0014","13.491","0.002","90","","90.8299","0.0005","90","","1738","0.4","298.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H18 O4 Pt S2 -","- C14 H18 O4 Pt S2 -","- C56 H72 O16 Pt4 S8 -","4","1","","Nomura, Mitsushiro; Fujii, Takashi; Kajitani, Masatsugu","Platinum Dithiolene Complexes of π-Coordinating and π-Interacting η4-Cyclobutadiene Ligands","Organometallics","2009","28","13","3776","","10.1021/om900222s","","","0.7107","MoKα","","","0.0284","","","","0.0783","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069482","11.429","0.002","9.9809","0.0019","13.087","0.003","90","","96.6553","0.0007","90","","1482.8","0.5","298.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H16 Pt S4 -","- C12 H16 Pt S4 -","- C48 H64 Pt4 S16 -","4","1","","Nomura, Mitsushiro; Fujii, Takashi; Kajitani, Masatsugu","Platinum Dithiolene Complexes of π-Coordinating and π-Interacting η4-Cyclobutadiene Ligands","Organometallics","2009","28","13","3776","","10.1021/om900222s","","","0.7107","MoKα","","","0.0232","","","","0.0706","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069633","13.574","0.003","10.578","0.0017","13.601","0.003","90","","103.415","0.014","90","","1899.6","0.7","200.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H17 Mn N2 O5 Pt -","- C18 H17 Mn N2 O5 Pt -","- C72 H68 Mn4 N8 O20 Pt4 -","4","1","","Komiya, Sanshiro; Ezumi, Sei; Komine, Nobuyuki; Hirano, Masafumi","Visible Light Enhanced Selective Reductive Elimination of a Methylmanganese Complex from a Heterodinuclear Dimethylphenyl(4,4′-di-tert-butyl-2,2′-bipyridine)platinum−Pentacarbonylmanganese Complex","Organometallics","2009","28","13","3608","","10.1021/om900319a","","","0.71069","MoKα","","","0.0292","","","","0.0816","","","","","","0.936","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069748","16.6547","0.0003","10.5277","0.0002","22.7316","0.0004","90","","106.132","0.001","90","","3828.72","0.12","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H60 Ca N6 Si4 -","- C26 H60 Ca N6 Si4 -","- C104 H240 Ca4 N24 Si16 -","4","1","","Arrowsmith, Merle; Heath, Alex; Hill, Michael S.; Hitchcock, Peter B.; Kociok-Köhn, Gabriele","Tris(imidazolin-2-ylidene-1-yl)borate Complexes of the Heavier Alkaline Earths: Synthesis and Structural Studies","Organometallics","2009","28","15","4550","","10.1021/om9003994","","","0.71073","MoKα","","0.0767","0.0505","","","0.119","0.1338","","","","","","1.029","","","","has coordinates","178586","2020-10-21","18:00:00",""
"4070195","15.22","0.003","12.806","0.003","17.477","0.004","90","","115.712","0.0007","90","","3069.1","1.2","103.15","","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32 H53 B N2 P2 -","- C32 H53 B N2 P2 -","- C128 H212 B4 N8 P8 -","4","1","","Segawa, Yasutomo; Yamashita, Makoto; Nozaki, Kyoko","Diphenylphosphino- or Dicyclohexylphosphino-Tethered Boryl Pincer Ligands: Syntheses of PBP Iridium(III) Complexes and Their Conversion to Iridium−Ethylene Complexes","Organometallics","2009","28","21","6234","","10.1021/om9006455","","","0.7107","MoKα","","0.0387","0.0355","","","0.0821","0.0839","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4070197","12.699","0.004","13.075","0.003","20.824","0.006","90","","102.948","0.0011","90","","3369.7","1.6","133.15","","103","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C32 H53 B Cl Ir N2 P2 -","- C32 H53 B Cl Ir N2 P2 -","- C128 H212 B4 Cl4 Ir4 N8 P8 -","4","1","","Segawa, Yasutomo; Yamashita, Makoto; Nozaki, Kyoko","Diphenylphosphino- or Dicyclohexylphosphino-Tethered Boryl Pincer Ligands: Syntheses of PBP Iridium(III) Complexes and Their Conversion to Iridium−Ethylene Complexes","Organometallics","2009","28","21","6234","","10.1021/om9006455","","","0.7107","MoKα","","0.0424","0.0362","","","0.0651","0.0678","","","","","","1.149","","","","has coordinates","178590","2020-10-21","18:00:00",""
"4070477","11.5011","0.0004","8.2266","0.0003","12.4493","0.0005","90","","113.647","0.002","90","","1078.99","0.07","150","1","150","1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C13 H14 Zr -","- C13 H14 Zr -","- C52 H56 Zr4 -","4","1","","Glöckner, Andreas; Tamm, Matthias; Arif, Atta M.; Ernst, Richard D.","A New Versatile Approach to Substituted Cyclopentadienyl−Cycloheptatrienyl Complexes of Zirconium (Trozircenes)","Organometallics","2009","28","24","7041","","10.1021/om900847y","","","0.71073","MoKα","","0.0341","0.0283","","","0.067","0.0706","","","","","","1.104","","","","has coordinates","178593","2020-10-21","18:00:00",""
"4070479","11.2763","0.0003","8.2112","0.0003","13.6876","0.0005","90","","100.433","0.002","90","","1246.41","0.07","150","1","150","1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C15 H16 Zr -","- C15 H16 Zr -","- C60 H64 Zr4 -","4","1","","Glöckner, Andreas; Tamm, Matthias; Arif, Atta M.; Ernst, Richard D.","A New Versatile Approach to Substituted Cyclopentadienyl−Cycloheptatrienyl Complexes of Zirconium (Trozircenes)","Organometallics","2009","28","24","7041","","10.1021/om900847y","","","0.71073","MoKα","","0.04","0.0303","","","0.0688","0.0739","","","","","","1.032","","","","has coordinates,has disorder","178593","2020-10-21","18:00:00",""
"4070531","17.1182","0.0003","17.3886","0.0003","17.2162","0.0004","90","","111.866","0.0007","90","","4755.92","0.16","150","1","150","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H19 Br17 Cl4 Zr5 -","- C17 H19 Br17 Cl4 Zr5 -","- C68 H76 Br68 Cl16 Zr20 -","4","1","","Glöckner, Andreas; Arif, Atta M.; Ernst, Richard D.","Isolation and Characterization of Bromination Products of Zr(C5H5)2Br2","Organometallics","2008","27","3","327","","10.1021/om700437w","","","0.71073","MoKα","","0.1055","0.0586","","","0.1172","0.1315","","","","","","1.043","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070661","16.519","0.0002","10.743","0.0002","17.38","0.0002","90","","114.699","0.001","90","","2802.15","0.07","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H40 N4 O4 Ru -","- C25 H40 N4 O4 Ru -","- C100 H160 N16 O16 Ru4 -","4","1","","Ellul, Charles E.; Saker, Olly; Mahon, Mary F.; Apperley, David C.; Whittlesey, Michael K.","Cleavage of Ru3(CO)12by N-Heterocyclic Carbenes: Isolation ofcis- andtrans-Ru(NHC)2(CO)3and Reaction with O2To Form Ru(NHC)2(CO)2(CO3)","Organometallics","2008","27","1","100","","10.1021/om700915t","","","0.71073","MoKα","","0.0692","0.0369","","","0.0777","0.0895","","","","","","1.037","","","","has coordinates,has disorder","178595","2020-10-21","18:00:00",""
"4070868","19.8999","0.0012","11.9582","0.0007","20.2828","0.0012","90","","114.655","0.002","90","","4386.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C50 H63 Fe N3 O2 -","- C50 H63 Fe N3 O2 -","- C200 H252 Fe4 N12 O8 -","4","1","","Trovitch, Ryan J.; Lobkovsky, Emil; Bill, Eckhard; Chirik, Paul J.","Functional Group Tolerance and Substrate Scope in Bis(imino)pyridine Iron Catalyzed Alkene Hydrogenation","Organometallics","2008","27","7","1470","","10.1021/om701091z","","","0.71073","MoKα","","0.0956","0.0461","","","0.1116","0.1165","","","","","","0.964","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4071132","10.053","0.002","18.213","0.004","13.751","0.003","90","","91.15","0.003","90","","2517.2","0.9","113.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H42 P Pt Si -","- C25 H42 P Pt Si -","- C100 H168 P4 Pt4 Si4 -","4","1","","Tanabe, Makoto; Ito, Daisuke; Osakada, Kohtaro","Ligand Exchange of Diplatinum Complexes with Bridging Silyl Ligands Involving Si−H Bond Cleavage and Formation","Organometallics","2008","27","10","2258","","10.1021/om7012869","","","0.7107","MoKα","","","0.0603","","","","0.1554","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071144","17.922","0.0003","8.081","0.0005","20.62","0.0007","90","0.002","113.842","0.001","90","0.001","2731.5","0.2","200","2","200","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H33 N Ni P2 -","- C30 H33 N Ni P2 -","- C120 H132 N4 Ni4 P8 -","4","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lee, Pei-Ying","Phosphorus and Olefin Substituent Effects on the Insertion Chemistry of Nickel(II) Hydride Complexes Containing Amido Diphosphine Ligands","Organometallics","2008","27","13","3082","","10.1021/om701294a","","","0.71073","MoKα","","0.0626","0.0415","","","0.096","0.1119","","","","","","1.12","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071288","16.923","0.0015","17.111","0.003","17.928","0.003","90","","116.438","0.012","90","","4648.5","1.3","200","2","200","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C37 H27 Al3 F24 O4 -","- C37 H27 Al3 F24 O4 -","- C148 H108 Al12 F96 O16 -","4","1","","Martínez, Gema; Pedrosa, Sergio; Tabernero, Vanessa; Mosquera, Marta E. G.; Cuenca, Tomás","Controlled Synthesis of Novel Aryloxide Polynuclear Aluminum Species. Study of Their Catalytic Properties in Polymerization Processes†","Organometallics","2008","27","10","2300","","10.1021/om800086a","","","0.71069","MoKα","","0.1087","0.0595","","","0.1524","0.187","","","","","","1.026","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071307","13.962","0.004","15.735","0.004","15.131","0.005","90","","109.378","0.001","90","","3135.8","1.6","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C37 H43 N2 O P S -","- C37 H43 N2 O P S -","- C148 H172 N8 O4 P4 S4 -","4","1","","Nakabuchi, Takashi; Matano, Yoshihiro; Imahori, Hiroshi","Synthesis, Structures, and Coordinating Properties of Phosphole-Containing Hybrid Calixpyrroles","Organometallics","2008","27","13","3142","","10.1021/om800099h","","","0.7107","MoKα","","0.0478","0.0414","","","0.0755","0.0785","","","","","","1.002","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071370","19.0513","0.0003","11.1572","0.0002","24.5895","0.0006","90","","104.595","0.0017","90","","5058.06","0.18","103","2","103","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","compound7","","","- C46 H78 O Si7 -","- C46 H78 O Si7 -","- C184 H312 O4 Si28 -","4","1","","Ozaki, Shuhei; Sasamori, Takahiro; Tokitoh, Norihiro","Synthesis of a 1-Hydrosilene Stable in Solution and Its Unique Properties#","Organometallics","2008","27","10","2163","","10.1021/om8001334","","","0.71069","MoKα","","0.096","0.0627","","","0.1333","0.1509","","","","","","1.086","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071562","20.2421","0.0015","20.231","0.0015","21.0455","0.0017","90","","112.96","0.008","90","","7935.7","1.2","180","","180","","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C138 H198 B2 F40 N O22 Zr6 -","- C138 H198 B2 F40 N O22 Zr6 -","- C276 H396 B4 F80 N2 O44 Zr12 -","2","0.5","","Lorber, Christian; Choukroun, Robert; Vendier, Laure","Reactivity of B(C6F5)3with Simple Early Transition Metal Alkoxides: Alkoxide-Aryl Exchange, THF Ring-Opening, or Acetonitrile CC Coupling","Organometallics","2008","27","19","5017","","10.1021/om800234z","","","","MoKα","","0.1111","0.0474","","","0.1018","0.1191","","","","","","0.869","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071757","17.6283","0.0005","14.9024","0.0004","20.4564","0.0007","90","","113.042","0.0011","90","","4945.2","0.3","153","2","153","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H38 O2 Ru2 -","- C28 H37 O2 Ru2 -","- C224 H296 O16 Ru16 -","8","2","","Takao, Toshiro; Akiyoshi, Kazunori; Suzuki, Hiroharu","Preparation and Properties of Diruthenium Hydrido Complexes Having a Bridging Benzoquinone Ligand: Formation of an Alcohol Adduct of a μ-η2:η2-Benzoquinone Complex through Hydrogen Bonding","Organometallics","2008","27","16","4199","","10.1021/om800363f","","","0.71069","MoKα","","0.0402","0.0333","","","0.0666","0.0689","","","","","","1.103","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071783","14.605","0.0005","8.6048","0.0003","20.1135","0.0007","90","","108.781","0.001","90","","2393.14","0.14","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H41 N O W -","- C26 H40 N O W -","- C104 H160 N4 O4 W4 -","4","1","","Buschhaus, Miriam S. A.; Pamplin, Craig B.; Blackmore, Ian J.; Legzdins, Peter","Transformations of Cyclic Olefins Mediated by Tungsten Nitrosyl Complexes","Organometallics","2008","27","18","4724","","10.1021/om800384z","","","0.71073","MoKα","","0.0495","0.0352","","","0.0821","0.0864","","","","","","1.054","","","","has coordinates,has disorder","178606","2020-10-21","18:00:00",""
"4071794","8.556","0.003","25.215","0.008","17.964","0.006","90","","97.518","0.008","90","","3842","2","193.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H11 N S -","- C17 H11 N S -","- C204 H132 N12 S12 -","12","3","","Shibue, Mayuko; Hirotsu, Masakazu; Nishioka, Takanori; Kinoshita, Isamu","Ruthenium and Rhodium Complexes with Thiolate-Containing Pincer Ligands Produced by C−S Bond Cleavage of Pyridyl-Substituted Dibenzothiophenes","Organometallics","2008","27","17","4475","","10.1021/om8003916","","","0.7107","MoKα","","","0.0564","","","","0.0651","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071865","22.863","0.004","21.865","0.003","30.131","0.005","90","","101.893","0.002","90","","14739","4","113.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C54 H56 Ge4 P2 Pd -","- C54 H56 Ge4 P2 Pd -","- C648 H672 Ge48 P24 Pd12 -","12","3","","Tanabe, Makoto; Ishikawa, Naoko; Hanzawa, Masaya; Osakada, Kohtaro","Mono- and Dinuclear Germapalladacycles Obtained via the Ge−Ge Bond Forming Reactions Promoted by Palladium Complexes","Organometallics","2008","27","19","5152","","10.1021/om8004349","","","0.7107","MoKα","","","0.0562","","","","0.132","","","","","","0.957","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071962","15.869","0.008","7.748","0.004","24.023","0.012","90","","98.136","0.002","90","","2924","3","123.1","","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C31 H38 N2 Ni O4 -","- C31 H38 N2 Ni O4 -","- C124 H152 N8 Ni4 O16 -","4","1","","Matsubara, Kouki; Miyazaki, Satoshi; Koga, Yuji; Nibu, Yoshinori; Hashimura, Takaaki; Matsumoto, Taisuke","An Unsaturated Nickel(0) NHC Catalyst: Facile Preparation and Structure of Ni(0)(NHC)2, Featuring a Reduction Process from Ni(II)(NHC)(acac)2","Organometallics","2008","27","22","6020","","10.1021/om800488x","","","0.7107","MoKα","","0.1186","0.0698","","","0.175","0.2029","","","","","","1.027","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4072077","11.626","0.001","18.686","0.002","14.094","0.002","90","","101.368","0.002","90","","3001.8","0.6","123.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32 H54 P2 Pt Si2 -","- C29 H47 P2 Pt Si2 -","- C116 H188 P8 Pt4 Si8 -","4","1","","Ochida, Atsuko; Hamasaka, Go; Yamauchi, Yoshihiro; Kawamorita, Soichiro; Oshima, Naoya; Hara, Kenji; Ohmiya, Hirohisa; Sawamura, Masaya","Synthesis, Properties, and Catalytic Applications of Caged, Compact Trialkylphosphine 4-Phenyl-1-phospha-4-silabicyclo[2.2.2]octane","Organometallics","2008","27","21","5494","","10.1021/om8005728","","","0.7107","MoKα","","","0.0743","","","","0.1044","","","","","","3.313","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072325","9.0356","0.0003","27.0393","0.0008","11.4976","0.0003","90","","97.113","0.001","90","","2787.43","0.14","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C31 H34 Fe N4 -","- C31 H34 Fe N4 -","- C124 H136 Fe4 N16 -","4","1","","Ogasawara, Masamichi; Watanabe, Susumu; Nakajima, Kiyohiko; Takahashi, Tamotsu","Preparation of [4]- and [5]Ferrocenophanes by Ruthenium-Catalyzed Ring-Closing Ene−Yne Metathesis","Organometallics","2008","27","24","6565","","10.1021/om8007663","","","0.71075","MoKα","","0.1012","0.0697","","","0.1481","0.1622","","","","","","1.142","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072347","17.156","0.002","11.9022","0.0008","18.1773","0.0015","90","","95.742","0.009","90","","3693.1","0.6","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H68 Li2 N10 Zn2 -","- C24 H68 Li2 N10 Zn2 -","- C96 H272 Li8 N40 Zn8 -","4","1","","Armstrong, David R.; Dougan, Christine; Graham, David V.; Hevia, Eva; Kennedy, Alan R.","Synthesis and Structural Elucidation of Alkyl, Amido, and Mixed Alkyl−Amido “Highly-Coordinated” Zincates","Organometallics","2008","27","23","6063","","10.1021/om800786n","","","0.71073","MoKα","","0.1901","0.086","","","0.1849","0.2103","","","","","","0.865","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072641","14.404","0.005","13.017","0.003","13.027","0.004","90","","101.75","0.03","90","","2391.3","1.3","296.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H30 Cl2 N2 O3 Ru -","- C23 H29 Cl2 N2 O3 Ru -","- C92 H116 Cl8 N8 O12 Ru4 -","4","1","","Himeda, Yuichiro; Onozawa-Komatsuzaki, Nobuko; Sugihara, Hideki; Kasuga, Kazuyuki","Simultaneous Tuning of Activity and Water Solubility of Complex Catalysts by Acid−Base Equilibrium of Ligands for Conversion of Carbon Dioxide","Organometallics","2007","26","3","702","","10.1021/om060899e","","","0.7107","MoKα","","","0.0332","","","","0.0572","","","","","","1.624","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072768","9.99","0.0009","30.731","0.003","10.4568","0.001","90","","97.978","0.001","90","","3179.2","0.5","144","2","144","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C36 H46 N2 O2 Yb -","- C36 H46 N2 O2 Yb -","- C144 H184 N8 O8 Yb4 -","4","1","","Walter, Marc D.; Berg, David J.; Andersen, Richard A.","Coordination of 1,4-Diazabutadiene Ligands to Decamethylytterbocene: Additional Examples of Spin Coupling in Ytterbocene Complexes","Organometallics","2007","26","9","2296","","10.1021/om0610142","","","0.71069","MoKα","","0.1","0.0542","","","0.1108","0.1261","","","","","","0.988","","","","has coordinates","178616","2020-10-21","18:00:00",""
"4072782","21.6997","0.0011","12.2426","0.0006","24.9387","0.0013","90","","94.546","0.002","90","","6604.4","0.6","130","2","130","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C74 H90 B O6 Si2 Y -","- C74 H90 B O6 Si2 Y -","- C296 H360 B4 O24 Si8 Y4 -","4","1","","Nakajima, Yumiko; Okuda, Jun","Reactivity of Monocationic Bis(alkyl) and Dicationic Mono(alkyl) Yttrium Complexes toward Ketones and Carbon Dioxide","Organometallics","2007","26","5","1270","","10.1021/om0610290","","","0.71069","MoKα","","0.0891","0.0504","","","0.104","0.1179","","","","","","1.021","","","","has coordinates,has disorder","178616","2020-10-21","18:00:00",""
"4073114","8.4073","0.0004","10.5641","0.0008","17.632","0.0009","90","","90.688","0.004","90","","1565.88","0.16","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H18 Cl3 O Sn -","- C11 H18 Cl2.997 O Sn -","- C44 H72 Cl11.988 O4 Sn4 -","4","1","","Elhamzaoui, Hicham; Jousseaume, Bernard; Toupance, Thierry; Allouchi, Hassan","α,ω-Bis(trialkynyltin) Compounds with a Linear or Cross-Shaped Spacer","Organometallics","2007","26","16","3908","","10.1021/om070078p","","","0.71073","MoKα","","0.0424","0.0345","","","0.082","0.0856","","","","","","1.094","","","","has coordinates","178620","2020-10-21","18:00:00",""
"4073382","11.277","0.006","17.83","0.008","14.245","0.007","90","","94.076","0.009","90","","2857","2","173.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H30 N3 O2 Ti -","- C31 H40 O3 Ti -","- C124 H160 O12 Ti4 -","4","1","","Zhang, Dao","Unexpected Binuclear Bis(phenolato) Titanium (IV) {[(L)Ti(Ph)]2(μ-OEt)2} Assisted by Carbon−Oxygen Bond Cleavage and Alkali-Metal-Containing Titanium(III) Complexes [Ti(L)2·M(solv)2] (M = Li, Na, K; solv = THF, DME)","Organometallics","2007","26","16","4072","","10.1021/om700298f","","","0.7107","MoKα","","","0.067","","","","0.11","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073384","16.2073","0.0005","16.3911","0.0005","20.669","0.0007","90","","97.077","0.002","90","","5449","0.3","123","2","123","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C54 H80 K O8 Ti -","- C54 H80 K O8 Ti -","- C216 H320 K4 O32 Ti4 -","4","1","","Zhang, Dao","Unexpected Binuclear Bis(phenolato) Titanium (IV) {[(L)Ti(Ph)]2(μ-OEt)2} Assisted by Carbon−Oxygen Bond Cleavage and Alkali-Metal-Containing Titanium(III) Complexes [Ti(L)2·M(solv)2] (M = Li, Na, K; solv = THF, DME)","Organometallics","2007","26","16","4072","","10.1021/om700298f","","","0.7107","MoKα","","0.1562","0.1468","","","0.3321","0.3377","","","","","","1.169","","","","has coordinates","178622","2020-10-21","18:00:00",""
"4073448","18.558","0.003","15.874","0.003","20.342","0.002","90","","112.648","0.012","90","","5530.4","1.6","296","","296","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C54 H51 Cl4 I Ir2 O2 P2 Si -","- C54 H51 Cl4 I Ir2 O2 P2 Si -","- C216 H204 Cl16 I4 Ir8 O8 P8 Si4 -","4","1","","Wu, He-Ping; Ess, Daniel H.; Lanza, Seren; Weakley, Timothy J. R.; Houk, K. N.; Baldridge, Kim K.; Haley, Michael M.","Rearrangement of Iridabenzvalenes to Iridabenzenes and/or η5-Cyclopentadienyliridium(I) Complexes: Experimental and Computational Analysis of the Influence of Silyl Ring Substituents and Phosphine Ligands§","Organometallics","2007","26","16","3957","","10.1021/om700336d","","","0.71073","MoKα","","0.083","0.046","","0.103","","0.05","","","1.81","","","1.92","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073513","25.462","0.0004","12.3405","0.0002","36.7695","0.0006","90","","107.142","0.0007","90","","11040.3","0.3","103","2","103","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C41 H89 Li O2 P Si7 -","- C41 H89 Li O2 P Si7 -","- C328 H712 Li8 O16 P8 Si56 -","8","2","","Sasamori, Takahiro; Matsumoto, Teruyuki; Takeda, Nobuhiro; Tokitoh, Norihiro","Synthesis and Properties of a Rhodium Complex Having a Novel β-Ketophosphenato Ligand, a Heavier Congener of a β-Ketoiminato Ligand#","Organometallics","2007","26","15","3621","","10.1021/om700412g","","","0.71069","MoKα","","0.0998","0.0667","","","0.1635","0.1896","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4073607","9.693","0.0006","36.906","0.0002","10.5513","0.0006","90","","109.456","0.001","90","","3559","0.3","115.2","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C38 H30 F3 Ir N2 O3 S Si2 -","- C38 H30 F3 Ir N2 O3 S Si2 -","- C152 H120 F12 Ir4 N8 O12 S4 Si8 -","4","1","","Sangtrirutnugul, Preeyanuch; Tilley, T. Don","Silyl Derivatives of [Bis(8-quinolyl)methylsilyl]iridium(III) Complexes: Catalytic Redistribution of Arylsilanes and Dehydrogenative Arene Silylation","Organometallics","2007","26","23","5557","","10.1021/om700494q","","","0.7107","MoKα","","0.0373","0.0373","","0.046","","0.046","","","","","","1.54","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4073620","20.0815","0.0012","9.2617","0.0005","20.7209","0.0013","90","","111.883","0.006","90","","3576.2","0.4","180","2","180","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C40 H32 Cl2 O3 P2 Ru -","- C40 H32 Cl2 O3 P2 Ru -","- C160 H128 Cl8 O12 P8 Ru4 -","4","1","","Benhamou, Laure; César, Vincent; Lugan, Noël; Lavigne, Guy","Snapshot of a Chelation-Assisted C−H/Alkyne Coupling: A Ruthenium Complex Caught in the Act of C−C Bond Formation","Organometallics","2007","26","18","4673","","10.1021/om7005003","","x-ray","0.71073","MoKα","","0.0493","0.029","","","0.0709","0.0752","","","","","","1.09","","","","has coordinates,has disorder","178625","2020-10-21","18:00:00",""
"4073656","11.059","0.0002","18.6029","0.0004","15.0804","0.0003","90","","91.052","0.001","90","","3101.96","0.11","200","","200","","","","","","","","?","6","P 1 21/a 1","-P 2yab","14","","","","- C31 H27 Cl2 F6 P2 Sb -","- C31 H27 Cl2 F6 P2 Sb -","- C124 H108 Cl8 F24 P8 Sb4 -","4","1","","Kilah, Nathan L.; Petrie, Simon; Stranger, Robert; Wielandt, J. Wolfram; Willis, Anthony C.; Wild, S. Bruce","Triphenylphosphine-Stabilized Diphenyl-Arsenium, -Stibenium, and -Bismuthenium Salts","Organometallics","2007","26","25","6106","","10.1021/om700512h","","","0.71073","MoKα","","","0.0335","","","","0.0388","","","","","","1.0771","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073829","13.556","0.006","7.224","0.003","18.814","0.007","90","","102.982","0.018","90","","1795.3","1.3","243.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H21 Cl2 N O Ti -","- C17 H21 Cl2 N O Ti -","- C68 H84 Cl8 N4 O4 Ti4 -","4","1","","Zhang, Hao; Katao, Shohei; Nomura, Kotohiro; Huang, Jiling","Synthesis of Half-Titanocenes Containing Phenoxy-imine Ligands and Their Use as Catalysts for Olefin Polymerization","Organometallics","2007","26","24","5967","","10.1021/om700660b","","","0.71075","MoKα","","","0.0259","","","","0.0798","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073924","10.308","0.005","29.438","0.01","9.913","0.004","90","","108.74","0.02","90","","2849","2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C31 H39 Mo2 O2 P -","- C31 H39 Mo2 O2 P -","- C124 H156 Mo8 O8 P4 -","4","1","","García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.; Lanfranchi, Maurizio; Marchio, Luciano","Structure and Bonding in the Unsaturated Hydride- and Hydrocarbyl-Bridged Complexes [Mo2(η5-C5H5)2(μ-X)(μ-PCy2)(CO)2] (X = H, CH3, CH2Ph, Ph). Evidence for the Presence of α-Agostic and π-Bonding Interactions†","Organometallics","2007","26","25","6197","","10.1021/om7007265","","","0.71073","MoKα","","0.1493","0.0508","","","0.058","0.0713","","","","","","0.816","","","","has coordinates","178628","2020-10-21","18:00:00",""
"4074093","14.465","0.005","8.585","0.002","16.138","0.004","90","","116.824","0.011","90","","1788.4","0.9","150","1","150","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H27 N Ti -","- C20 H27 N Ti -","- C80 H108 N4 Ti4 -","4","1","","Wu, Chun Ji; Lee, Sang Hoon; Yun, Hoseop; Lee, Bun Yeoul","Ortho Lithiation of Tetrahydroquinoline Derivatives and Its Use for the Facile Construction of Polymerization Catalysts","Organometallics","2007","26","27","6685","","10.1021/om7010084","","","0.71073","MoKα","","0.0614","0.0407","","","0.0891","0.0973","","","","","","1.03","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074101","12.178","0.003","20.115","0.005","13.9","0.005","90","","109.769","0.011","90","","3204.3","1.6","298.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C34 H50 O P2 Ru -","- C34 H50 O P2 Ru -","- C136 H200 O4 P8 Ru4 -","4","1","","Ogasawara, Masamichi; Sakamoto, Takeshi; Ito, Azumi; Ge, Yonghui; Nakajima, Kiyohiko; Takahashi, Tamotsu; Hayashi, Tamio","Unprecedented Formation of μ-Vinylidene Complexes from Phospharuthenocene and Acyl Chloride via Activation of the CO Double Bond","Organometallics","2007","26","27","6698","","10.1021/om701063k","","","0.71075","MoKα","","","0.0425","","","","0.1548","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074103","11.897","0.003","16.879","0.004","17.761","0.006","90","","90.759","0.013","90","","3566.3","1.7","298.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C34 H53 O1.5 P2 Ru -","- C34 H41 O1.52 P2 Ru -","- C136 H164 O6.08 P8 Ru4 -","4","1","","Ogasawara, Masamichi; Sakamoto, Takeshi; Ito, Azumi; Ge, Yonghui; Nakajima, Kiyohiko; Takahashi, Tamotsu; Hayashi, Tamio","Unprecedented Formation of μ-Vinylidene Complexes from Phospharuthenocene and Acyl Chloride via Activation of the CO Double Bond","Organometallics","2007","26","27","6698","","10.1021/om701063k","","","0.71075","MoKα","","","0.0615","","","","0.2074","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074225","23.287","0.004","11.9507","0.0017","25.667","0.004","90","","90.019","0.002","90","","7143","1.9","113.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C42 H30 Cl F5 P2 Pd -","- C42 H30 Cl F5 P2 Pd -","- C336 H240 Cl8 F40 P16 Pd8 -","8","2","","Kashiwabara, Taigo; Tanaka, Masato","Decarbonylative Coupling of Fluorobenzoyl Chlorides with Hexamethyldisilane in the Presence of a Palladium Complex Catalyst: Extremely Facile Decarbonylation of Pentafluorobenzoyl‒Pd Complex Relevant to C6F5SiMe3 Formation","Organometallics","2006","25","19","4648","4652","10.1021/om060479p","","","0.7107","MoKα","","","0.0597","","","","0.0773","","","","","","1.031","","","","has coordinates","209825","2020-10-21","18:00:00",""
"4074485","12.325","0.004","25.461","0.009","17.227","0.006","90","","89.957","0.005","90","","5406","3","123.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C56 H78 Mg2 N4 O2 -","- C56 H76 Mg2 N4 O2 -","- C224 H304 Mg8 N16 O8 -","4","1","","Zhang, Dao; Kawaguchi, Hiroyuki","Deprotonation Attempts on Imidazolium Salt Tethered by Substituted Phenol and Construction of Its Magnesium Complex by Transmetalation","Organometallics","2006","25","22","5506","5509","10.1021/om060691t","","","0.7107","MoKα","","","0.067","","","","0.129","","","","","","0.978","","","","has coordinates","209866","2020-10-21","18:00:00",""
"4074574","18.5682","0.0006","10.8947","0.0004","19.3594","0.0008","90","","97.332","0.001","90","","3884.3","0.2","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C44 H40 N4 P2 Ru S2 -","- C44 H40 N4 P2 Ru S2 -","- C176 H160 N16 P8 Ru4 S8 -","4","1","","Dewhurst, Rian D.; Hansen, Andrew R.; Hill, Anthony F.; Smith, Matthew K.","Templated Synthesis and Intact Coordination of a Diorganotriselenane: [RuCl2(PPh3){κ3-Se,N,N‘-Se(mtSe)2}] (mtSe= selenomethimazolyl)","Organometallics","2006","25","25","5843","","10.1021/om0608511","","","0.71073","MoKα","","0.066","0.0423","","","0.0993","0.1117","","","","","","1.011","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074582","17.1694","0.0006","9.0939","0.0004","18.5947","0.0006","90","","109.099","0.002","90","","2743.5","0.18","150.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","complex 3a","complex 3a","","- C30 H36 Fe N2 O Si -","- C30 H36 Fe N2 O Si -","- C120 H144 Fe4 N8 O4 Si4 -","4","1","","Iwata, Masatoshi; Okazaki, Masaaki; Tobita, Hiromi","Insertion of Pyridine into an Iron−Silicon Bond and Photochemical Conversion of the Insertion Product Cp*(OC)Fe{η3(C,C,C)-C5H5NSiMe2NPh2} to a Sandwich Compound","Organometallics","2006","25","26","6115","","10.1021/om060873n","","x-ray","0.7107","MoKα","","","0.0515","","","","0.132","","","","","","1.412","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074754","15.259","0.0005","12.4368","0.0003","17.4895","0.0005","90","0.001","91.318","0.001","90","0.001","3318.16","0.17","140.2","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C27 H24 F6 N5 O6 Rh S2 Si -","- C27 H24 F6 N5 O6 Rh S2 Si -","- C108 H96 F24 N20 O24 Rh4 S8 Si4 -","4","1","","Sangtrirutnugul, Preeyanuch; Stradiotto, Mark; Tilley, T. Don","Rhodium Complexes Containing a Tridentate Bis(8-quinolyl)methylsilyl Ligand: Synthesis and Reactivity","Organometallics","2006","25","7","1607","","10.1021/om050859v","","","0.7107","MoKα","","0.0456","0.0456","","0.0472","","0.0472","","","","","","1.664","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074850","14.975","0.005","8.088","0.005","16.133","0.005","90","0.005","106.651","0.005","90","0.005","1872.1","1.4","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C16 H24 B N4 Rh S2 -","- C16 H24 B N4 Rh S2 -","- C64 H96 B4 N16 Rh4 S8 -","4","1","","Crossley, Ian R.; Hill, Anthony F.; Humphrey, Elizabeth R.; Smith, Matthew K.","A Less Carbocentric View of Agostic Interactions: The Complexes [Rh(η4-cod){H2A(mt)2}] (A = B, C+; mt = Methimazolyl)","Organometallics","2006","25","9","2242","","10.1021/om050942i","","","0.71069","MoKα","","0.0376","0.027","","","0.064","0.0683","","","","","","1.042","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074856","17.1579","0.0004","9.4672","0.0002","22.0701","0.0006","90","","110.489","0.0009","90","","3358.22","0.14","298","","","","","","","","","","Local laboratory","5","P 1 21/a 1","-P 2yab","14","","","","- C40 H37 N Ni P2 -","- C40 H37 N Ni P2 -","- C160 H148 N4 Ni4 P8 -","4","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.0617","0.0419","","","0.1269","0.1418","","","","","","0.997","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074862","18.084","0.0003","8.585","0.0002","19.323","0.0004","90","","107.576","0.001","90","","2859.87","0.1","200","2","200","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H45 N Ni P2 -","- C28 H45 N Ni P2 -","- C112 H180 N4 Ni4 P8 -","4","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.0804","0.0532","","","0.1235","0.1491","","","","","","1.194","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074879","10.2492","0.0007","29.368","0.001","11.0728","0.0008","90","","99.791","0.001","90","","3284.4","0.3","150","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C34 H48 P2 Si -","- C34 H48 P2 Si -","- C136 H192 P8 Si4 -","4","1","","Ito, Shigekazu; Nishide, Katsunori; Yoshifuji, Masaaki","Structural and Coordination Properties of 3,3-Diphenyl-1- (2,4,6-tri-tert-butylphenyl)-2-(trimethylsilyl)-1,3-diphosphapropene Derivatives Showing Interesting Conformational Features","Organometallics","2006","25","6","1424","1430","10.1021/om050972l","","","0.7107","MoKα","","","0.0462","","","","0.1029","","","","","","1.005","","","","has coordinates","209852","2020-10-21","18:00:00",""
"4074915","13.722","0.004","21.866","0.006","16.436","0.005","90","0.0013","101.82","0.0015","90","0.0013","4827","2","173","2","173","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","Nickel-Complex","","","- C43 H49 Cl2 Ni P S6 Si2 -","- C43 H49 Cl2 Ni P S6 Si2 -","- C172 H196 Cl8 Ni4 P4 S24 Si8 -","4","1","","Kudoh, Kenichi; Okamoto, Toshihiro; Yamaguchi, Shigehiro","Reactions of Fused Polycyclic 1,2-Dithiins with Transition Metals: Synthesis of Heteroacenes via Desulfurization","Organometallics","2006","25","9","2374","","10.1021/om051000g","","","0.7107","MoKα","","0.066","0.0535","","","0.1203","0.1275","","","","","","1.124","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074932","17.186","0.012","10.02","0.003","17.288","0.008","90","","113.78","0.04","90","","2724","3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H30 I2 N4 O2 Pd2 -","- C22 H30 I2 N4 O2 Pd2 -","- C88 H120 I8 N16 O8 Pd8 -","4","1","","Solé, Daniel; Díaz, Sandra; Solans, Xavier; Font-Bardia, Mercè","A Comparative Study of the Chelating Ability of the −N(R)−(CH2)n−CO−N(R)2Framework in σ-Aryl Palladium(II) Complexes Derived from 2-Iodoanilines and 2-Iodobenzylamines. Synthesis of New Types of Terdentate [C,N,O] Pd(II) Complexes and C,N-Bridged Binuclear Pd(II) Compounds","Organometallics","2006","25","8","1995","","10.1021/om051014m","","","0.71073","MoKα","","0.0808","0.0581","","","0.1426","0.1556","","","","","","1.05","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074983","13.7845","0.0003","21.4772","0.0006","22.3609","0.0004","90","","92.42","0.001","90","","6614.1","0.3","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C64 H102 Mg2 N4 Na2 O4 -","- C64 H102 Mg2 N4 Na2 O4 -","- C256 H408 Mg8 N16 Na8 O16 -","4","1","","Hevia, Eva; Henderson, Kenneth W.; Kennedy, Alan R.; Mulvey, Robert E.","Synthesis and Characterization of New Mixed-Metal Sodium−Magnesium Enolates Derived from 2,4,6-Trimethylacetophenone†","Organometallics","2006","25","7","1778","","10.1021/om051076c","","","0.71073","MoKα","","0.1589","0.1238","","","0.3381","0.3601","","","","","","1.08","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4075147","17.805","0.004","8.603","0.002","19.694","0.004","90","","108.07","0.0007","90","","2867.9","1.1","293.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H35 Cl4 Ru2 S2 Sb -","- C22 H35 Cl4 Ru2 S2 Sb -","- C88 H140 Cl16 Ru8 S8 Sb4 -","4","1","","Amitsuka, Takahiko; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Mixed-Metal Sulfido Clusters Containing Noble Metals and Group 15 Metals. Stepwise Construction of Bimetallic and Trimetallic Ru2MS2(M = Sb, Bi), Ru2PdSbS2, and Ru2Pd2SbS2Cores","Organometallics","2006","25","12","3034","","10.1021/om060071s","","","0.7107","MoKα","","","0.032","","","","0.108","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075396","15.3023","0.0019","12.3796","0.0015","19.488","0.003","90","","93.025","0.006","90","","3686.6","0.9","120","1","120","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H44 Cl3 N3 O2 W -","- C38 H36 Cl3 N3 O2 W -","- C152 H144 Cl12 N12 O8 W4 -","4","1","","Tsurugi, Hayato; Ohno, Takashi; Yamagata, Tsuneaki; Mashima, Kazushi","Synthesis, Structure, and Reactivity of Tantalum and Tungsten Homoenolate Complexes","Organometallics","2006","25","13","3179","","10.1021/om060264f","","","0.71075","MoKα","","0.0472","0.0353","","","0.1058","0.1125","","","","","","0.848","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075431","16.6095","0.0003","10.6179","0.0002","18.3565","0.0003","90","","92.297","0.002","90","","3234.71","0.1","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","kjc0413","","","- C33 H36 N2 O8 Pd -","- C33 H36 N2 O8 Pd -","- C132 H144 N8 O32 Pd4 -","4","1","","Clement, Nicolas D.; Cavell, Kingsley J.; Ooi, Li-ling","Zerovalent N-Heterocyclic Carbene Complexes of Palladium and Nickel Dimethyl Fumarate: Synthesis, Structure, and Dynamic Behavior","Organometallics","2006","25","17","4155","","10.1021/om0602759","","","0.71073","MoKα","","0.059","0.0429","","","0.0988","0.106","","","","","","1.043","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075504","23.164","0.0008","20.279","0.0009","27.1721","0.001","90","","112.21","0.003","90","","11816.9","0.8","173","2","173","2","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C96 H108 B22 Cl8 Fe2 Mo2 O10 P6 Sn2 -","- C96 H108 B22 Cl8 Fe2 Mo2 O10 P6 Sn2 -","- C384 H432 B88 Cl32 Fe8 Mo8 O40 P24 Sn8 -","4","1","","Gädt, Torben; Eichele, Klaus; Wesemann, Lars","Bimetallic Zwitterionic Complexes with an Ambident Stanna-closo-dodecaborate Ligand: [1-{M(CO)5}-2,7,8-(μ-H)3-{Fe(triphos)}-SnB11H11] (M = Cr, Mo, W)","Organometallics","2006","25","16","3904","","10.1021/om060328m","","","0.71073","MoKα","","0.1622","0.0808","","","0.1256","0.1511","","","","","","1.055","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075586","15.6163","0.0003","8.9018","0.0002","16.8896","0.0004","90","","93.291","0.001","90","","2344","0.09","120","2","120","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H29 Mo2 N O S3 -","- C22 H29 Mo2 N O S3 -","- C88 H116 Mo8 N4 O4 S12 -","4","1","","Ojo, Wilfried-Solo; Paugam, Eddy; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W.","Formation of C−C, C−N, and C−O Links between Isonitrile, Cyclopentadienyl, and Hydroxide Ligands Bound to Molybdenum(III): Syntheses and Crystal Structures of μ-Aminocarbyne and μ-Amino-oxycarbene Dimolybdenum Complexes","Organometallics","2006","25","16","4009","","10.1021/om060383v","","","0.71073","MoKα","","0.0879","0.0501","","","0.1121","0.1354","","","","","","1.081","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075658","7.585","0.003","39.428","0.004","9.54","0.003","90","","110.67","0.02","90","","2669.4","1.4","296.2","","296.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C29 H34 O P2 Pt -","- C29 H34 O P2 Pt -","- C116 H136 O4 P8 Pt4 -","4","1","","Pantcheva, Ivayla; Nishihara, Yasushi; Osakada, Kohtaro","Arylplatinum Complexes with Arylboronate Ligands. Their Preparation, Structure, and Relevance to Transmetalation","Organometallics","2005","24","16","3815","","10.1021/om049050t","","","0.7107","MoKα","","0.0354","0.035","","0.035","","0.035","","","1.388","","","1.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075775","17.9746","0.0003","27.7046","0.0006","16.6001","0.0003","90","","90.846","0.001","90","","8265.6","0.3","213.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C95 H77 B N4 O4 P4 Rh4 -","- C95 H77 B N4 O4 P4 Rh4 -","- C380 H308 B4 N16 O16 P16 Rh16 -","4","1","","Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka","Polynuclear Rhodium Complexes with Dinucleating PNNP Ligand: Dynamic and Diverse M···M Interactions in [(μ-X)Rh2(PNNP)(CO)2]n+and [(μ4-X)Rh4(PNNP)2(CO)4]n+[X = H, O, C⋮C−R, R−C⋮C−R, C⋮C, CHCH2, SMe2;n= 0, 1: PNNP = 3,5-bis(diphenylphosphinomethyl)pyrazolato]","Organometallics","2005","24","1","163","","10.1021/om049427v","","","0.7107","MoKα","","","0.0431","","","","0.127","","","","","","0.687","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075950","17.669","0.019","15.984","0.012","18.49","0.03","90","","115.389","0.012","90","","4718","10","173","2","173","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C48 H88 Ni P2 -","- C48 H88 Ni P2 -","- C192 H352 Ni4 P8 -","4","1","","Jones, Gavin D.; Vicic, David A.","A 1-Norbornene Adduct of a Transition Metal and an Electrochemical Study of the Bridgehead Olefin Complex","Organometallics","2005","24","16","3821","","10.1021/om0503388","","","0.7107","MoKα","","0.1013","0.0777","","","0.1779","0.1929","","","","","","1.109","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4076030","11.932","0.0012","12.494","0.0011","18.179","0.0014","90","","95.373","0.008","90","","2698.2","0.4","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C36 H30 Fe3 -","- C36 H30 Fe3 -","- C144 H120 Fe12 -","4","1","","Mathur, Pradeep; Singh, Amrendra K.; Singh, Vinay K.; Singh, Priti; Rahul,; Mobin, Shaikh M.; Thöne, Carsten","Coupling Reactions of Ferrocenylacetylene with Mononuclear Metal Carbonyls Fe(CO)5and M(CO)6(M = Mo, W): Synthesis and Characterization of [Fe(CO)2{η5-2,5-Fc2C5H2CO}C(Fc)CH], [Fe(CO)2{η2:η2-2,5-Fc2C4H2Fe(CO)3}-μ-CO], [Fe(CO)3{η2:η2-2,5-Fc2C4H2CO}], 1,2,4-Triferrocenylbenzene, 2,5-Diferrocenylthiophene, and 2,5-Diferrocenylselenophene","Organometallics","2005","24","20","4793","","10.1021/om0504755","","","0.71073","MoKα","","0.0736","0.0342","","","0.0803","0.0968","","","","","","0.919","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076064","22.0174","0.0007","12.4833","0.0006","10.7855","0.0003","90","","116.344","0.002","90","","2656.53","0.18","293","2","180","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Compound 2","","","- C25 H45 Mg O5 Y -","- C25 H43.8 Mg O5 Y -","- C100 H175.2 Mg4 O20 Y4 -","4","1","","Sánchez-Barba, Luis F.; Hughes, David L.; Humphrey, Simon M.; Bochmann, Manfred","Synthesis and Structures of New Mixed-Metal Lanthanide/Magnesium Allyl Complexes","Organometallics","2005","24","22","5329","","10.1021/om0505155","","","0.71073","Mo-Kα","","0.0553","0.0427","","","0.0963","0.1017","","","","","","1.092","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076307","10.7646","0.0004","32.2519","0.0008","13.6095","0.0005","90","","104.14","0.003","90","","4581.8","0.3","120","2","120","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C56 H53 Fe N P2 -","- C56 H53 Fe N P2 -","- C224 H212 Fe4 N4 P8 -","4","1","","Grelaud, Guillaume; Cador, Olivier; Roisnel, Thierry; Argouarch, Gilles; Cifuentes, Marie P.; Humphrey, Mark G.; Paul, Frédéric","Triphenylamine Derivatives with Para-Disposed Pendant Electron-Rich Organoiron Alkynyl Substituents: Defining the Magnetic Interactions in a Trinuclear Iron(III) Trication","Organometallics","2012","31","5","1635","","10.1021/om2006358","","x-ray","0.71073","MoKα","","0.0926","0.0513","","","0.1244","0.133","","","","","","1.036","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076674","10.0955","0.0007","26.7","0.002","10.7924","0.0008","90","","103.413","0.009","90","","2829.7","0.4","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","{(η5-Cp)(NO)(μ-CO)[μ-⋮C-C(CH3)3]W-AuPPh3}","{(η5-Cp)(NO)(μ-CO)[μ-⋮C-C(CH3)3]W-AuPPh3}","","- C30 H29 Au N O2 P W -","- C30 H29 Au N O2 P W -","- C120 H116 Au4 N4 O8 P4 W4 -","4","1","","Ipaktschi, Junes; Munz, Frank","η2-Alkynyl and Vinylidene Transition Metal Complexes. 8.1Synthesis of Bimetallic Tungsten Gold Complexes by Addition of ClAuPPh3to the Acetylide Li[(η5-C5H5)(CO)(NO)W(C⋮C−R)]","Organometallics","2002","21","5","977","","10.1021/om010923i","","","0.71073","MoKα","","0.0379","0.0295","","","0.0754","0.079","","","","","","0.927","","","","has coordinates","194600","2020-10-21","18:00:00",""
"4076783","9.184","0.003","26.208","0.009","9.354","0.003","90","","112.43","0.02","90","","2081.1","1.2","150","1","150","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H32 O2 Si2 W -","- C18 H32 O2 Si2 W -","- C72 H128 O8 Si8 W4 -","4","1","","Ueno, Keiji; Asami, Satsuki; Watanabe, Nobuhiko; Ogino, Hiroshi","Synthesis of Self-Stabilized and Donor-Free Silyl(silylene)tungsten Complexes","Organometallics","2002","21","7","1326","","10.1021/om020023h","","","0.71073","MoKα","","0.0756","0.0578","","","0.1524","0.1669","","","","","","1.029","","","","has coordinates","178656","2020-10-21","18:00:00",""
"4076860","9.1428","0.0017","32.708","0.002","9.7927","0.0009","90","","94.343","0.012","90","","2920","0.6","296","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C33 H32 Ir O P Si -","- C33 H32 Ir O P Si -","- C132 H128 Ir4 O4 P4 Si4 -","4","1","","Wu, He-Ping; Lanza, Seren; Weakley, Timothy J. R.; Haley, Michael M.","Metallabenzenes and Valence Isomers. 3. Unexpected Rearrangement of Two Regioisomeric Iridabenzenes to an (η5-Cyclopentadienyl)iridium(I) Complex","Organometallics","2002","21","14","2824","","10.1021/om0201563","","","0.71073","MoKα","","0.032","0.022","","0.052","","0.025","","","1.17","","","1.19","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076875","12.742","0.0004","10.1132","0.0005","17.4682","0.0008","90","","99.374","0.003","90","","2220.93","0.17","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H34 Cl2 N P2 V -","- C17 H34 Cl2 N P2 V -","- C68 H136 Cl8 N4 P8 V4 -","4","1","","Bradley, Sam; Camm, Kenneth D.; Furtado, Stephen J.; Gott, Andrew L.; McGowan, Patrick C.; Podesta, Thomas J.; Thornton-Pett, Mark","Synthesis and Structure of Amino-Functionalized Cyclopentadienyl Vanadium Complexes and Evaluation of Their Butadiene Polymerization Behavior","Organometallics","2002","21","16","3443","","10.1021/om020170f","","","0.71069","MoKα","","0.0534","0.0472","","","0.1217","0.1271","","","","","","1.028","","","","has coordinates","178657","2020-10-21","18:00:00",""
"4076951","17.236","0.006","11.625","0.004","18.245","0.006","90","","108.639","0.004","90","","3464","2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C34 H48 N4 P2 Ru S -","- C34 H44 N4 P2 Ru S -","- C136 H176 N16 P8 Ru4 S4 -","4","1","","Takemoto, Shin; Kawamura, Harumi; Yamada, Yoshiaki; Okada, Takayoshi; Ono, Atsushi; Yoshikawa, Eri; Mizobe, Yasushi; Hidai, Masanobu","Ruthenium Complexes Containing Bis(diarylamido)/Thioether Ligands: Synthesis and Their Catalysis for the Hydrogenation of Benzonitrile","Organometallics","2002","21","19","3897","","10.1021/om020340o","","","0.7107","MoKα","","0.0769","0.0502","","","0.1062","0.1152","","","","","","1.062","","","","has coordinates","178658","2020-10-21","18:00:00",""
"4077075","13.166","0.001","7.444","0.001","17.807","0.001","90","","92.573","0.002","90","","1743.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C19 H14 Fe N2 O3 -","- C19 H14 Fe N2 O3 -","- C76 H56 Fe4 N8 O12 -","4","1","","Son, Seung Uk; Park, Kang Hyun; Jung, Il Gu; Chung, Young Keun; Lah, Myoung Soo","Reactions of Fe2(CO)9with Azine Derivatives: Discovery of New Coordination Modes and Reactivity of New Bimetallic Compounds","Organometallics","2002","21","24","5366","","10.1021/om0205546","","","0.71069","MoKα","","0.0892","0.043","","","0.1021","0.1348","","","","","","1.031","","","","has coordinates","178659","2020-10-21","18:00:00",""
"4077076","10.821","0.001","12.681","0.001","12.716","0.001","90","","96.262","0.001","90","","1734.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H12 Fe2 N2 O6 -","- C14 H12 Fe2 N2 O6 -","- C56 H48 Fe8 N8 O24 -","4","1","","Son, Seung Uk; Park, Kang Hyun; Jung, Il Gu; Chung, Young Keun; Lah, Myoung Soo","Reactions of Fe2(CO)9with Azine Derivatives: Discovery of New Coordination Modes and Reactivity of New Bimetallic Compounds","Organometallics","2002","21","24","5366","","10.1021/om0205546","","","0.71073","MoKα","","0.0705","0.0452","","","0.1217","0.1472","","","","","","1.058","","","","has coordinates","178659","2020-10-21","18:00:00",""
"4077302","17.6495","0.0002","10.5692","0.0001","20.3919","0.0002","90","","99.0906","0.0005","90","","3756.15","0.07","200","","","","","","","","","","Local laboratory","6","P 1 21/a 1","-P 2yab","14","","","","- C43 H39 Br Ni O2 P2 -","- C43 H39 Br Ni O2 P2 -","- C172 H156 Br4 Ni4 O8 P8 -","4","1","","Edwards, Alison J.; Macgregor, Stuart A.; Rae, A. David; Wenger, Eric; Willis, Anthony C.","Regioselectivities of the Insertion Reactions of Unsymmetrical Alkynes with the Nickelacycles [NiBr(C6H4CH2PPh2-2)(L)] (L = Tertiary Phosphine)","Organometallics","2001","20","13","2864","","10.1021/om0101083","","","0.71073","MoKα","","","0.0433","","","","0.0371","","","","","","1.0357","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077366","16.545","0.007","10.21","0.003","8.428","0.003","90","","104.77","0.04","90","","1376.7","0.9","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H38 Br2 N4 Pd2 -","- C26 H38 Br2 N4 Pd2 -","- C52 H76 Br4 N8 Pd4 -","2","0.5","","Tsubomura, Taro; Tanihata, Takayuki; Yamakawa, Tetsuya; Ohmi, Rakuko; Tamane, Tsuyoshi; Higuchi, Akon; Katoh, Akira; Sakai, Ken","Synthesis and Structure of New Binuclear Organopalladium Macrocyclic Complexes","Organometallics","2001","20","18","3833","","10.1021/om0103862","","","0.7107","MoKα","","","0.0439","","","","0.1027","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077592","19.668","0.008","9.327","0.008","20.967","0.009","90","","106.42","0.03","90","","3689","4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C39 H25 N O10 Ru3 -","- C39 H25 N O10 Ru3 -","- C156 H100 N4 O40 Ru12 -","4","1","","Cabeza, Javier A.; Grepioni, Fabrizia; Moreno, Marta; Riera, Víctor","Reactivity of Diynes with a 1-Azavinylidene-Bridged Triruthenium Carbonyl Cluster. Insertion Reactions of Diynes into Ru−H, Ru−C, and Ru−N Bonds","Organometallics","2000","19","25","5424","","10.1021/om0005506","","","0.71069","MoKα","","0.0847","0.0657","","","0.172","0.1934","","","","","","0.955","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077790","16.6668","0.0015","8.8103","0.0007","12.9121","0.0012","90","","94.59","0.02","90","","1889.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C15 H27 Mo N O2 Si2 -","- C15 H27 Mo N O2 Si2 -","- C60 H108 Mo4 N4 O8 Si8 -","4","1","","Ueno, Keiji; Masuko, Akira; Ogino, Hiroshi","Synthesis, Crystal Structures, and Fluxional Behavior of Donor-Bridged Bis(silylene)molybdenum and -chromium Complexes","Organometallics","1999","18","14","2694","","10.1021/om990201f","","","0.71073","MoKα","","0.0725","0.0362","","0.0908","0.0786","","","","1.034","1.077","1.077","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4078197","13.2772","0.0009","13.791","0.0008","18.256","0.001","90","","102.145","0.001","90","","3268","0.3","150.1","","150","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H52 Si4 -","- C30 H52 Si4 -","- C120 H208 Si16 -","4","1","","Naka, Akinobu; Ohshita, Joji; Miyazaki, Eigo; Miura, Toshiko; Kobayashi, Hisayoshi; Ishikawa, Mitsuo","Stereochemistry of Disilanylene-Containing Cyclic Compounds. Palladium-Catalyzed Reactions ofcis- andtrans-3,4-Benzo-1,2-diisopropyl-1,2-dimethyl-1,2-disilacyclobut-3-ene with Ethylene","Organometallics","2012","31","9","3492","","10.1021/om201061x","","","0.7107","MoKα","","","0.102","","","","0.116","","","","","","3.165","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078387","16.569","0.0014","8.7952","0.0009","12.953","0.002","90","","94.43","0.012","90","","1882","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C15 H27 N O2 Si2 W -","- C15 H27 N O2 Si2 W -","- C60 H108 N4 O8 Si8 W4 -","4","1","","Ueno, Keiji; Masuko, Akira; Ogino, Hiroshi","Synthesis, Structure, and Fluxional Behavior of Donor-Stabilized Bis(silylene)tungsten Complexes","Organometallics","1997","16","23","5023","","10.1021/om970609h","","","0.71073","MoKα","","0.0765","0.0526","","0.1246","0.1176","","","","0.998","1.082","1.082","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078799","8.5358","0.0004","18.1171","0.0007","15.3207","0.0006","90","","100.552","0.0014","90","","2329.19","0.17","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H36 Cl Si2 Ta -","- C18 H36 Cl Si2 Ta -","- C72 H144 Cl4 Si8 Ta4 -","4","1","","Oishi, Masataka; Kino, Masashi; Saso, Masayuki; Oshima, Masato; Suzuki, Hiroharu","Early‒Late Heterobimetallic Complexes with a Ta‒Ir Multiple Bond: Bimetallic Oxidative Additions of C‒H, N‒H, and O‒H Bonds","Organometallics","2012","31","13","4658","","10.1021/om300429u","","","0.71069","MoKα","","0.0289","0.0252","","","0.0561","0.0581","","","","","","1.035","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078922","18.0043","0.0004","17.8269","0.0005","18.876","0.0005","90","","94.7219","0.0017","90","","6037.9","0.3","200","","200","","","","","","","","from RMIT University","6","P 1 21/a 1","-P 2yab","14","","","","- C61 H44 F8 I P3 Pd2 -","- C61 H44 F8 I P3 Pd2 -","- C244 H176 F32 I4 P12 Pd8 -","4","1","","Bhargava, Suresh K.; Privér, Steven H.; Willis, Anthony C.; Bennett, Martin A.","Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C6F4PPh2: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species","Organometallics","2012","31","15","5561","","10.1021/om300525p","","","0.71073","MoKα","","0.0976","0.0438","","0.1118","0.0971","0.1118","","","","","","0.8295","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078923","11.3738","0.0001","32.8254","0.0003","12.0304","0.0001","90","","98.3916","0.0005","90","","4443.46","0.07","200","","200","","","","","","","","from RMITU","5","P 1 21/a 1","-P 2yab","14","","","","- C54 H35 F8 P3 Pd -","- C54 H35 F8 P3 Pd -","- C216 H140 F32 P12 Pd4 -","4","1","","Bhargava, Suresh K.; Privér, Steven H.; Willis, Anthony C.; Bennett, Martin A.","Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C6F4PPh2: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species","Organometallics","2012","31","15","5561","","10.1021/om300525p","","","0.71073","MoKα","","0.0469","0.0314","","0.0685","0.0641","0.0685","","","","","","0.9697","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078978","12.43","0.004","14.089","0.004","13.738","0.004","90","","110.342","0.006","90","","2255.8","1.2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C44 H58 N10 Ti2 -","- C44 H58 N10 Ti2 -","- C88 H116 N20 Ti4 -","2","0.5","","Chen, Zhou; Wu, Jian; Chen, Yanmei; Li, Lei; Xia, Yuanzhi; Li, Yahong; Liu, Wei; Lei, Tao; Yang, Lijuan; Gao, Dandan; Li, Wu","Rapid Access to Substituted Piperazines via Ti(NMe2)4-Mediated C‒C Bond-Making Reactions","Organometallics","2012","31","17","6005","","10.1021/om300022u","","","0.7107","MoKα","","0.118","0.0998","","","0.2485","0.259","","","","","","1.207","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4079079","17.2728","0.0007","15.6204","0.0006","18.6939","0.0006","90","","106.659","0.0012","90","","4832.1","0.3","193","2","193","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C21 H39 N3 O4 Ru2 -","- C21 H27 N3 O4 Ru2 -","- C168 H216 N24 O32 Ru16 -","8","2","","Namura, Kyo; Ohashi, Masato; Suzuki, Hiroharu","Synthesis and Structure of a Mixed-Ligand Dinuclear Ruthenium Trihydrido Complex Supported by Cn* and Cp* Ligands (Cn* = 1,4,7-Trimethyl-1,4,7-triazacyclononane, Cp* = η5-C5Me5): Enhancement of Reactivity toward CO2by Introduction of the Cn* Ligand","Organometallics","2012","31","17","5979","","10.1021/om3004674","","","0.71069","MoKα","","0.0867","0.0534","","","0.1324","0.1608","","","","","","1.073","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079298","19.462","0.0004","18.6629","0.0003","30.1543","0.0005","90","","96.664","0.001","90","","10878.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C45 H40 D2 P2 Ru -","- C45 H40 D2 P2 Ru -","- C540 H480 D24 P24 Ru12 -","12","3","","Reyna-Madrigal, Amira; Moreno-Gurrola, Anabel; Perez-Camacho, Odilia; Navarro-Clemente, M. Elena; Juárez-Saavedra, Patricia; Leyva-Ramirez, Marco A.; Arif, Atta M.; Ernst, Richard D.; Paz-Sandoval, M. Angeles","Half-Sandwich Ruthenium-Phosphine Complexes with Pentadienyl and Oxo- and Azapentadienyl Ligands","Organometallics","2012","31","20","7125","","10.1021/om300657z","","","0.71073","MoKα","","0.248","0.0825","","","0.0899","0.1196","","","","","","0.975","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079630","16.8797","0.0007","11.895","0.0007","18.4555","0.0008","90","","115.196","0.002","90","","3353","0.3","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C37 H56 N2 P2 -","- C37 H56 N2 P2 -","- C148 H224 N8 P8 -","4","1","","Hill, Anthony F.; McQueen, Caitlin M. A.","Dihydroperimidine-Derived N-Heterocyclic Pincer Carbene Complexes via Double C‒H Activation","Organometallics","2012","31","23","8051","","10.1021/om300897w","","","0.71073","MoKα","","0.1169","0.0928","","0.2283","0.2147","0.2283","","","","","","1.0155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080383","9.3187","0.0013","27.975","0.004","11.3288","0.0018","90","","100.289","0.005","90","","2905.8","0.7","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C36 H34 N2 O2 Si -","- C36 H34 N2 O2 Si -","- C144 H136 N8 O8 Si4 -","4","1","","Normand, Mickael; Dorcet, Vincent; Kirillov, Evgeny; Carpentier, Jean-François","{Phenoxy-imine}aluminum versus -indium Complexes for the Immortal ROP of Lactide: Different Stereocontrol, Different Mechanisms","Organometallics","2013","32","6","1694","","10.1021/om301155m","","x-ray","0.71073","MoKα","","0.1557","0.0578","","","0.1071","0.1375","","","","","","0.977","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080485","14.061","0.003","18.161","0.003","31.122","0.006","90","","101.108","0.005","90","","7798","3","250","2","250","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C78 H102 N8 O2 Si2 Y2 -","- C78 H102 N8 O2 Si2 Y2 -","- C312 H408 N32 O8 Si8 Y8 -","4","1","","Rad’kov, Vasily; Dorcet, Vincent; Carpentier, Jean-François; Trifonov, Alexander; Kirillov, Evgeny","Alkylyttrium Complexes of Amidine‒Amidopyridinate Ligands. Intramolecular C(sp3)‒H Activation and Reactivity Studies","Organometallics","2013","32","5","1517","","10.1021/om400027d","","x-ray","0.71073","MoKα","","0.1964","0.0622","","","0.1137","0.149","","","","","","0.98","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080881","12.5602","0.0002","28.568","0.0005","13.1348","0.0002","90","","104.057","0.0006","90","","4571.9","0.13","150","","150","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Ti(N2ArO)(NNPh2)(py)2","","- C40 H46 N6 O Si2 Ti -","- C40 H46 N6 O Si2 Ti -","- C160 H184 N24 O4 Si8 Ti4 -","4","1","","Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip","Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands","Organometallics","2013","32","10","3091","","10.1021/om400311w","","","0.71073","MoKα","","0.1407","0.0853","","0.1055","0.0777","0.0713","","","","","","1.0878","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080913","16.569","0.006","31.944","0.005","15.811","0.002","90","","90.34","0.02","90","","8368","3","203.2","","203.2","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C38 H26 B F24 N O Si -","- C38 H26 B F24 N O Si -","- C304 H208 B8 F192 N8 O8 Si8 -","8","2","","Chandra Sheker Reddy, Anugu; Chen, Zhang; Hatanaka, Tohru; Minami, Tatsuya; Hatanaka, Yasuo","Synthesis of Silaoxazolinium Salts Bearing Weakly Coordinating Anions: Structures and Catalytic Activities in the Aldol Reaction","Organometallics","2013","32","13","3575","","10.1021/om400017f","","","0.7107","MoKα","","","0.0768","","","","0.249","","","","","","1.631","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080914","13.841","0.004","15.636","0.005","8.021","0.006","90","","90.04","0.04","90","","1735.9","1.5","203.2","","203.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C7 H26 B11 N O Si -","- C7 H26 B11 N O Si -","- C28 H104 B44 N4 O4 Si4 -","4","1","","Chandra Sheker Reddy, Anugu; Chen, Zhang; Hatanaka, Tohru; Minami, Tatsuya; Hatanaka, Yasuo","Synthesis of Silaoxazolinium Salts Bearing Weakly Coordinating Anions: Structures and Catalytic Activities in the Aldol Reaction","Organometallics","2013","32","13","3575","","10.1021/om400017f","","","0.7107","MoKα","","0.0629","0.0609","","","0.17","0.1722","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081096","13.5378","0.0002","31.6724","0.0006","14.2095","0.0003","90","","95.402","0.001","90","","6065.61","0.19","173","1","173","1","","","","","","","","7","P 1 21/a 1","-P 2yab","14","Compound X","","","- C34 H25 Cl2 F5 Fe N Pt -","- C34 H25 Cl2 F5 Fe N Pt -","- C272 H200 Cl16 F40 Fe8 N8 Pt8 -","8","2","","Berenguer, Jesús R.; Fernández, Julio; Giménez, Nora; Lalinde, Elena; Moreno, M. Teresa; Sánchez, Sergio","Unexpected Formation of Ferrocenyl(vinyl)benzoquinoline Ligands by Oxidation of an Alkyne Benzoquinolate Platinum(II) Complex","Organometallics","2013","32","14","3943","","10.1021/om4004384","","","0.71073","MoKα","","0.0643","0.0409","","","0.0805","0.0887","","","","","","1.049","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081255","15.5539","0.0003","12.5279","0.0003","22.6531","0.0005","90","","109.552","0.0011","90","","4159.6","0.16","200","","200","","","","","","","","Research School of Chemistry","4","P 1 21/a 1","-P 2yab","14","","","","- C21 H18 F6 P2 -","- C21 H18 F6 P2 -","- C168 H144 F48 P16 -","8","2","","Colebatch, Annie L.; Cade, Ian A.; Hill, Anthony F.; Bhadbhade, Mohan M.","η2-Allenyl- and η2-Alkynylphosphonium Complexes of Platinum","Organometallics","2013","32","17","4766","","10.1021/om400406s","","","0.71073","MoKα","","0.153","0.1331","","0.2538","0.2495","0.2538","","","","","","0.7915","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081629","11.6959","0.0001","27.3298","0.0003","13.4179","0.0002","90","","115.566","0.001","90","","3869.05","0.09","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","complex_10_tuckin_CO2","","","- C80 H130 O4 Si4 U2 -","- C80 H130 O4 Si4 U2 -","- C160 H260 O8 Si8 U4 -","2","0.5","","Higgins, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark","Synthesis and CO2Insertion Chemistry of Uranium(IV) Mixed-Sandwich Alkyl and Hydride Complexes","Organometallics","2013","32","19","5244","","10.1021/om400720m","","x-ray","0.71073","MoKα","","0.0619","0.0407","","","0.0792","0.085","","","","","","1.03","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4082011","17.7678","0.0002","15.11045","0.00015","18.425","0.0002","90","","104.971","0.0012","90","","4778.83","0.09","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C37 H90 B10 N6 -","- C37 H90 B10 N6 -","- C148 H360 B40 N24 -","4","1","","Mindich, Aleksey L.; Bokach, Nadezhda A.; Kuznetsov, Maxim L.; Starova, Galina L.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Miltsov, Serguei A.; Kuznetsov, Nikolay T.; Kukushkin, Vadim Yu.","Borylated Tetrazoles from Cycloaddition of Azide Anions to Nitrilium Derivatives ofcloso-Decaborate Clusters","Organometallics","2013","32","21","6576","","10.1021/om400892x","","","1.54184","CuKα","","0.0456","0.0403","","","0.1053","0.1113","","","","","","1.038","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082340","12.6721","0.0008","7.9582","0.0005","13.3139","0.0008","90","","112.072","0.003","90","","1244.27","0.14","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H13 Cr N O2 -","- C15 H13 Cr N O2 -","- C60 H52 Cr4 N4 O8 -","4","1","","Duke, Charles B.; Letterman, Roger G.; Johnson, Jermaine O.; Barr, James W.; Hu, Songnan; Ross, Charles R.; Webster, Charles Edwin; Burkey, Theodore J.","Photochemistry of Chromium Arene Tricarbonyl Complexes with Tethered Pyridinyl and Propenyl Groups: Investigations of the Effect of Ring Size on Chelate Formation, Structure, and Linkage Isomerization","Organometallics","2014","33","2","485","","10.1021/om400928k","","","1.54178","CuKα","","0.055","0.0442","","","0.1315","0.1374","","","","","","1.238","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082863","16.017","0.0007","9.5265","0.0004","18.5407","0.0008","90","","106.484","0.001","90","","2712.8","0.2","298","","298","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C24 H38 N P Pt S Si -","- C24 H35 N P Pt S Si -","- C96 H140 N4 P4 Pt4 S4 Si4 -","4","1","","Okuda, Yasuhiro; Ishiguro, Yuya; Mori, Seiji; Nakajima, Kiyohiko; Nishihara, Yasushi","Experimental and Theoretical Studies on the Platinum-Mediated Selective C(sp)‒Si Bond Cleavage of Alkynylsilanes","Organometallics","2014","33","7","1878","","10.1021/om5002588","","","0.71075","MoKα","","0.0702","0.0566","","","0.1435","0.1544","","","","","","1.007","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4083052","15.0631","0.0008","7.8858","0.0002","16.5738","0.0011","90","","110.939","0.008","90","","1838.7","0.19","293.12","0.16","293.12","0.16","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C21 H22 Cl N Ru -","- C21 H22 Cl N Ru -","- C84 H88 Cl4 N4 Ru4 -","4","1","","Zhang, Lu−Lu; Li, Lian-Hua; Wang, Yu-Qi; Yang, Yan-Fang; Liu, Xue-Yuan; Liang, Yong-Min","Ruthenium-Catalyzed Direct C‒H Amidation of Arenes: A Mechanistic Study","Organometallics","2014","33","8","1905","","10.1021/om500080z","","","0.71073","MoKα","","0.0399","0.0303","","","0.0619","0.068","","","","","","1.046","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083310","12.8524","0.0003","11.9482","0.0002","16.5506","0.0003","90","","94.615","0.001","90","","2533.32","0.09","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C21 H25 Cl3 N2 O2 Pt S2 -","- C21 H25 Cl3 N2 O2 Pt S2 -","- C84 H100 Cl12 N8 O8 Pt4 S8 -","4","1","","Yzambart, Gilles; Fabre, Bruno; Roisnel, Thierry; Dorcet, Vincent; Ababou-Girard, Soraya; Meriadec, Cristelle; Lorcy, Dominique","Assembly of Platinum Diimine Dithiolate Complexes onto Hydrogen-Terminated Silicon Surfaces","Organometallics","2014","33","18","4766","","10.1021/om5000369","","x-ray","0.71073","MoKα","","0.0259","0.0212","","","0.0467","0.0487","","","","","","1.043","","","","has coordinates,has disorder","178722","2020-10-21","18:00:00",""
"4083444","19.91","0.004","16.379","0.004","20.634","0.004","90","","95.938","0.01","90","","6693","2","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H34 F12 N2 O4 Ti -","- C30 H34 F12 N2 O4 Ti -","- C240 H272 F96 N16 O32 Ti8 -","8","2","","Marquet, Nicolas; Kirillov, Evgueni; Roisnel, Thierry; Razavi, Abbas; Carpentier, Jean-François","Group 4 Metal Complexes of Fluorous (Di)Alkoxide-(Di)Imino Ligands: Synthesis, Structure, Olefin Polymerization Catalysis, and Decomposition Pathways","Organometallics","2009","28","2","606","","10.1021/om8009409","","x-ray","0.71073","MoKα","","0.0641","0.0429","","","0.0974","0.1074","","","","","","1.039","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083593","10.1941","0.0003","17.6476","0.0004","10.3104","0.0003","90","","101.886","0.003","90","","1815.09","0.09","200","0.1","200","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C76 H96 Cl4 N8 Rh4 -","- C76 H96 Cl4 N8 Rh4 -","- C76 H96 Cl4 N8 Rh4 -","1","0.25","","Mejuto, Carmen; Guisado-Barrios, Gregorio; Peris, Eduardo","Novel Rhodium and Iridium Complexes Coordinated toC3-Symmetric Tris-NHC Ligands Based on a 1,3,5-Triphenylbenzene Core. Electronic and Catalytic Properties","Organometallics","2014","33","12","3205","","10.1021/om500547g","","","0.71073","MoKα","","0.038","0.027","","","0.0557","0.0648","","","","","","1.0798","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083689","16.576","0.003","11.509","0.004","17.059","0.002","90","","115.36","0.02","90","","2940.8","1.3","293","2","250","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H37 Li N4 O -","- C33 H37 Li N4 O -","- C132 H148 Li4 N16 O4 -","4","1","","Otero, Antonio; Fernández-Baeza, Juan; Antiñolo, Antonio; Tejeda, Juan; Lara-Sánchez, Agustín; Sánchez-Barba, Luis F.; Sánchez-Molina, Margarita; Rodríguez, Ana M.; Bo, Carles; Urbano-Cuadrado, Manuel","Expanding Heteroscorpionates. Facile Synthesis of New Hybrid Scorpionate/Cyclopentadienyl Ligands and Their Lithium and Group 4 Metal Compounds: A Combined Experimental and Density Functional Theory Study","Organometallics","2007","26","17","4310","","10.1021/om7003942","","","0.71073","MoKα","","0.3313","0.0745","","","0.1333","0.1996","","","","","","0.902","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083797","16.9585","0.0011","16.6614","0.001","20.4281","0.0015","90","","112.585","0.002","90","","5329.4","0.6","103","2","103","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","9-germaanthracene_dimer","","","- C100 H168 Ge2 Si14 -","- C100 H168 Ge2 Si14 -","- C200 H336 Ge4 Si28 -","2","0.5","","Sasamori, Takahiro; Inamura, Koji; Hoshino, Wataru; Nakata, Norio; Mizuhata, Yoshiyuki; Watanabe, Yasuaki; Furukawa, Yukio; Tokitoh, Norihiro","Synthesis and Characterization of Two Isomers of 14π-Electron Germaaromatics: Kinetically Stabilized 9-Germaanthracene and 9-Germaphenanthrene","Organometallics","2006","25","15","3533","","10.1021/om060371+","","","0.7107","MoKα","","0.0446","0.0401","","","0.0869","0.0891","","","","","","1.136","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4084055","7.737","0.004","17.122","0.01","12.854","0.007","90","","92.84","0.04","90","","1700.7","1.6","203","2","203","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H18 B Cl2 N -","- C18 H18 B Cl2 N -","- C72 H72 B4 Cl8 N4 -","4","1","","Enders, Markus; Ludwig, Gunter; Pritzkow, Hans","Novel Reactivity of Ferrocene Derivatives toward Lewis Acids: Decomplexation with Boron Trichloride and Synthesis of a Triple-Decker-like Iron−Zinc Complex†","Organometallics","2002","21","19","3856","","10.1021/om020306+","","","0.71073","MoKα","","0.207","0.0714","","","0.1402","0.1802","","","","","","0.971","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084089","7.974","0.005","25.353","0.014","8.563","0.004","90","","98.43","0.04","90","","1712.4","1.6","203","2","203","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H22 Cl2 Cr N -","- C17 H22 Cl2 Cr N -","- C68 H88 Cl8 Cr4 N4 -","4","1","","Enders, Markus; Fernández, Pablo; Ludwig, Gunter; Pritzkow, Hans","New Chromium(III) Complexes as Highly Active Catalysts for Olefin Polymerization","Organometallics","2001","20","24","5005","","10.1021/om010753+","","","0.7107","MoKα","","0.0848","0.0441","","","0.08","0.0908","","","","","","1.012","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084117","18.1927","0.0005","11.5425","0.0003","20.4504","0.0006","90","","108.009","0.002","90","","4084","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C42 H64 P4 Tm -","- C42 H64 P4 Tm -","- C168 H256 P16 Tm4 -","4","1","","Jacquot, Léa; Xémard, Mathieu; Clavaguéra, Carine; Nocton, Grégory","Multiple One-Electron Transfers in Bipyridine Complexes of Bis(phospholyl) Thulium","Organometallics","2014","33","15","4100","","10.1021/om500607r","","x-ray","0.71073","MoKα","","0.0875","0.0615","","","0.1405","0.1569","","","","","","1.124","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084119","10.7289","0.0003","19.5591","0.0004","17.042","0.0005","90","","92.742","0.001","90","","3572.13","0.16","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C41 H48 N4 P Tm -","- C41 H48 N4 P Tm -","- C164 H192 N16 P4 Tm4 -","4","1","","Jacquot, Léa; Xémard, Mathieu; Clavaguéra, Carine; Nocton, Grégory","Multiple One-Electron Transfers in Bipyridine Complexes of Bis(phospholyl) Thulium","Organometallics","2014","33","15","4100","","10.1021/om500607r","","x-ray","0.71073","MoKα","","0.0758","0.0471","","","0.0876","0.1027","","","","","","1.075","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084243","16.1004","0.0012","13.1729","0.0009","18.3841","0.0014","90","","106.263","0.002","90","","3743","0.5","193","","193","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C40 H26 Cl4 Fe2 N2 O4 S2 -","- C40 H26 Cl4 Fe2 N2 O4 S2 -","- C160 H104 Cl16 Fe8 N8 O16 S8 -","4","1","","Hirotsu, Masakazu; Santo, Kiyokazu; Tsuboi, Chiaki; Kinoshita, Isamu","Diiron Carbonyl Complexes Bearing an N,C,S-Pincer Ligand: Reactivity toward Phosphines, Heterolytic Fe‒Fe Cleavage, and Electrocatalytic Proton Reduction","Organometallics","2014","33","16","4260","","10.1021/om500558h","","","0.710747","MoKα","","0.0675","0.0487","","","0.1206","0.1322","","","","","","1.065","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084299","16.8265","0.0002","9.4487","0.0004","17.6118","0.0005","90","0.001","90.567","0.001","90","0.001","2799.94","0.15","200","2","200","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C29 H41 N Ni P2 -","- C29 H41 N Ni P2 -","- C116 H164 N4 Ni4 P8 -","4","1","","Chen, Ming-Tsz; Lee, Wei-Ying; Tsai, Tzung-Ling; Liang, Lan-Chang","Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Chelates: Kumada Couplings Kinetically Preferred to β-Hydrogen Elimination","Organometallics","2014","33","20","5852","","10.1021/om5006353","","","0.71073","MoKα","","0.1157","0.0861","","","0.2265","0.2531","","","","","","1.209","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084353","16.421","0.004","11.638","0.003","18.611","0.005","90","","95.6527","0.0009","90","","3539.4","1.6","193","","193","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C39 H59 P Zr -","- C39 H59 P Zr -","- C156 H236 P4 Zr4 -","4","1","","Suzuki, Noriyuki; Yoshitani, Takao; Inoue, Shota; Hashizume, Daisuke; Yoshida, Hajime; Tezuka, Meguru; Ida, Keisuke; Nagashima, Sayoko; Chihara, Teiji; Kobayashi, Osamu; Nanbu, Shinkoh; Masuyama, Yoshiro","Haptotropic Shift of [5]Cumulenes in Zirconocene Complexes and Effects of Steric Factors","Organometallics","2014","33","19","5220","","10.1021/om500536c","","","0.7107","MoKα","","","0.0624","","","","0.0987","","","","","","1.229","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084399","13.4181","0.0004","9.1637","0.0007","15.0653","0.0003","90","","99.927","0.002","90","","1824.69","0.15","291","2","291","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C19 H18 Br N2 Ni P -","- C19 H18 Br N2 Ni P -","- C76 H72 Br4 N8 Ni4 P4 -","4","1","","Yang, Xia; Wang, Zhong-Xia","Mono- and Dinuclear Pincer Nickel Catalyzed Activation and Transformation of C‒Cl, C‒N, and C‒O Bonds","Organometallics","2014","33","20","5863","","10.1021/om500452c","","","1.54184","CuKα","","0.0562","0.0515","","","0.1465","0.1539","","","","","","1.052","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084404","20.116","0.004","9.537","0.0014","21.627","0.004","90","","110.914","0.002","90","","3875.7","1.2","93","2","93","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H60 N Ni P Si2 -","- C38 H60 N Ni P Si2 -","- C152 H240 N4 Ni4 P4 Si8 -","4","1","","Takeuchi, Katsuhiko; Minami, Ataru; Nakajima, Yumiko; Ozawa, Fumiyuki","Synthesis and Structures of Nickel Complexes with a PN-Chelate Phosphaalkene Ligand","Organometallics","2014","33","19","5365","","10.1021/om500685x","","","0.71075","MoKα","","0.0575","0.0489","","","0.1459","0.1569","","","","","","1.128","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084638","6.6503","0.0003","10.265","0.0004","9.0775","0.0003","90","","104.833","0.001","90","","599.03","0.04","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H14 Cl2 O2 Sn2 -","- C6 H14 Cl2 O2 Sn2 -","- C12 H28 Cl4 O4 Sn4 -","2","0.5","","Wang, Lingfang; Kefalidis, Christos E.; Roisnel, Thierry; Sinbandhit, Sourisak; Maron, Laurent; Carpentier, Jean-François; Sarazin, Yann","Structure vs119Sn NMR Chemical Shift in Three-Coordinated Tin(II) Complexes: Experimental Data and Predictive DFT Computations","Organometallics","2015","34","11","2139","","10.1021/om5007566","","x-ray","0.71073","MoKα","","0.0295","0.0282","","","0.0742","0.0751","","","","","","1.088","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4085270","8.0093","0.0002","44.3383","0.0013","9.9524","0.0003","90","","103.757","0.001","90","","3432.9","0.17","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C34 H38 Cl2 F6 N2 O2 Ru -","- C34 H38 Cl2 F6 N2 O2 Ru -","- C136 H152 Cl8 F24 N8 O8 Ru4 -","4","1","","Masoud, Salekh M.; Mailyan, Artur K.; Dorcet, Vincent; Roisnel, Thierry; Dixneuf, Pierre H.; Bruneau, Christian; Osipov, Sergey N.","Metathesis Catalysts with Fluorinated Unsymmetrical NHC Ligands","Organometallics","2015","34","11","2305","","10.1021/om501077w","","x-ray","0.71073","MoKα","","0.0721","0.0574","","","0.1423","0.1518","","","","","","1.028","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085271","9.1887","0.0006","42.551","0.003","17.8992","0.0011","90","","89.959","0.003","90","","6998.4","0.8","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C68 H76 Cl4 F12 N4 O4 Ru2 -","- C68 H76 Cl4 F12 N4 O4 Ru2 -","- C272 H304 Cl16 F48 N16 O16 Ru8 -","4","1","","Masoud, Salekh M.; Mailyan, Artur K.; Dorcet, Vincent; Roisnel, Thierry; Dixneuf, Pierre H.; Bruneau, Christian; Osipov, Sergey N.","Metathesis Catalysts with Fluorinated Unsymmetrical NHC Ligands","Organometallics","2015","34","11","2305","","10.1021/om501077w","","x-ray","0.71073","MoKα","","0.0667","0.052","","","0.1022","0.1086","","","","","","1.017","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085312","13.4782","0.0006","11.3904","0.0005","16.0075","0.0007","90","","90.924","0.002","90","","2457.19","0.19","99","2","99","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C26 H26 N4 O3 Pd S -","- C26 H26 N4 O3 Pd S -","- C104 H104 N16 O12 Pd4 S4 -","4","1","","Serrano, J. Luis; Pérez, José; García, Luis; Sánchez, Gregorio; García, Joaquín; Lozano, Pedro; Zende, Vidya; Kapdi, Anant","N-Heterocyclic-Carbene Complexes Readily Prepared from Di-μ-hydroxopalladacycles Catalyze the Suzuki Arylation of 9-Bromophenanthrene","Organometallics","2015","34","2","522","","10.1021/om501160n","","","0.71073","MoKα","","0.0453","0.0317","","","0.0736","0.0787","","","","","","1.025","","","","has coordinates,has disorder","178742","2020-10-21","18:00:00",""
"4085313","13.6655","0.0006","11.2625","0.0005","15.8256","0.0007","90","","96.263","0.001","90","","2421.14","0.19","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C27 H26 N4 O2 Pd -","- C27 H26 N4 O2 Pd -","- C108 H104 N16 O8 Pd4 -","4","1","","Serrano, J. Luis; Pérez, José; García, Luis; Sánchez, Gregorio; García, Joaquín; Lozano, Pedro; Zende, Vidya; Kapdi, Anant","N-Heterocyclic-Carbene Complexes Readily Prepared from Di-μ-hydroxopalladacycles Catalyze the Suzuki Arylation of 9-Bromophenanthrene","Organometallics","2015","34","2","522","","10.1021/om501160n","","","0.71073","MoKα","","0.0379","0.0297","","","0.0716","0.0756","","","","","","0.988","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085578","14.8898","0.0017","9.8923","0.001","15.145","0.0017","90","","103.513","0.0017","90","","2169","0.4","93","","93","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H21 B Cl2 N8 Ru -","- C18 H21 B Cl2 N8 Ru -","- C72 H84 B4 Cl8 N32 Ru4 -","4","1","","Arikawa, Yasuhiro; Yamaguchi, Soseki; Otsubo, Yuji; Onishi, Masayoshi; Umakoshi, Keisuke","Ortho−Nitrosation of Anilines on a Ruthenium Hydridotris(pyrazolyl)borato Complex and Oxidation of the Resulting Coordinated Amine Groups","Organometallics","2015","34","6","1056","","10.1021/om5012769","","","0.71075","MoKα","","","0.0208","","","","0.0511","","","","","","1.046","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4086064","16.0153","","9.2434","","26.9274","","90","","96.9","","90","","3957.35","","","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","(W (C O) (H B H3) (N O) (P (C H3)3)3)","","- C10 H31 B N O2 P3 W -","- C10 H31 B N O2 P3 W -","- C80 H248 B8 N8 O16 P24 W8 -","8","2","","Hoeck, J.; Artus, G.R.J.; Jacobsen, H.; Schmalle, H.W.; Baeth, F.; Fox, T.; Amor, J.I.; Berke, H.","Synthesis and insertion behaviour of carbonylhydridonitrosyltris(trimethylphosphine)tungsten(0)","Organometallics","2001","20","","1533","1544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086093","16.1899","0.0006","9.3453","0.0004","19.8995","0.0009","90","","108.017","0.0009","90","","2863.1","0.2","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C31 H33 N O2 S Si W -","- C31 H33 N O2 S Si W -","- C124 H132 N4 O8 S4 Si4 W4 -","4","1","","Kanno, Yuto; Komuro, Takashi; Tobita, Hiromi","Direct Conversion of a Si‒C(aryl) Bond to Si‒Heteroatom Bonds in the Reactions of η3-α-Silabenzyl Molybdenum and Tungsten Complexes with 2-Substituted Pyridines","Organometallics","2015","34","15","3699","","10.1021/acs.organomet.5b00335","","","0.71069","MoKα","","0.0444","0.039","","","0.1045","0.1116","","","","","","1.198","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086610","11.9109","0.0003","22.567","0.0006","18.4174","0.0005","90","","101.286","0.0009","90","","4854.7","0.2","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C48 H80 P2 Pt Ru2 Si -","- C48 H80 P2 Pt Ru2 Si -","- C192 H320 P8 Pt4 Ru8 Si4 -","4","1","","Kuzutani, Takuya; Torihata, Yushi; Suzuki, Hiroharu; Takao, Toshiro","Synthesis of a Heterometallic Trinuclear Cluster of Ruthenium and Platinum with a Linear Alignment","Organometallics","2016","35","15","2543","","10.1021/acs.organomet.6b00449","","","0.71069","MoKα","","0.025","0.0212","","","0.0435","0.0446","","","","","","1.025","","","","has coordinates","186256","2020-10-21","18:00:00",""
"4087391","6.5242","0.0002","7.6555","0.0003","17.7464","0.0007","90","","99.534","0.002","90","","874.12","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C6 H14 O2 Pb -","- C6 H14 O2 Pb -","- C24 H56 O8 Pb4 -","4","1","","Wang, Lingfang; Fadlallah, Sami; Bellini, Clément; Orione, Clément; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Structurally Characterized Lead(II) Alkoxides as Potent Ring-Opening Polymerization Catalysts","Organometallics","2015","34","7","1321","","10.1021/acs.organomet.5b00052","","x-ray","0.71073","MoKα","","0.0251","0.0172","","","0.0319","0.0338","","","","","","1.06","","","","has coordinates","236768","2020-10-21","18:00:00",""
"4088417","13.3664","0.0005","12.7847","0.0005","14.7048","0.0006","90","","102.97","0.0019","90","","2448.73","0.17","103","2","103.51","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C17 H24 B Cl2 F4 Ni3 S4 -","- C17 H24 B Cl2 F4 Ni3 S4 -","- C68 H96 B4 Cl8 F16 Ni12 S16 -","4","1","","Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2","Organometallics","2016","35","5","836","","10.1021/acs.organomet.6b00068","","","0.71073","MoKα","","0.0401","0.0305","","","0.0728","0.0763","","","","","","1.114","","","","has coordinates,has disorder","237551","2020-10-21","18:00:00",""
"4088465","15.5387","0.0011","10.1599","0.0007","31.327","0.002","90","","98.745","0.004","90","","4888.2","0.6","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C53 H81 N2 P2 Rh -","- C53 H81 N2 P2 Rh -","- C212 H324 N8 P8 Rh4 -","4","1","","Taguchi, Hiro-omi; Sasaki, Daichi; Takeuchi, Katsuhiko; Tsujimoto, Shota; Matsuo, Tsukasa; Tanaka, Hiromasa; Yoshizawa, Kazunari; Ozawa, Fumiyuki","Unsymmetrical PNP-Pincer Type Phosphaalkene Ligands Protected by a Fused-Ring Bulky Eind Group: Synthesis and Applications to Rh(I) and Ir(I) Complexes","Organometallics","2016","35","10","1526","","10.1021/acs.organomet.6b00113","","","0.71069","MoKα","","0.1601","0.1458","","","0.3088","0.3172","","","","","","1.384","","","","has coordinates","237594","2020-10-21","18:00:00",""
"4089316","21.8178","0.0014","13.9755","0.001","11.3967","0.0008","90","","104.545","0.003","90","","3363.6","0.4","213","2","213","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","compound 1'Ni_hexane","","","- C25 H33 B Br3 Co N6 Ni O4 -","- C25 H33 B Br3 Co N6 Ni O4 -","- C100 H132 B4 Br12 Co4 N24 Ni4 O16 -","4","1","","Uehara, Kazuhiro; Hikichi, Shiro; Akita, Munetaka","Rational Synthesis and Reversible Metal−Metal Bond Scission of Heterobimetallic Xenophilic Complexes Containing an Unsupported, Polar Metal−Metal Bond, TpiPr2M−Co(CO)3L (M = Ni, Co, Fe, Mn; L = CO, PPh3)","Organometallics","2001","20","24","5002","","10.1021/om010651j","","","0.71069","MoKα","","0.0859","0.0507","","","0.1292","0.1436","","","","","","0.781","","","","has coordinates","244974","2020-10-21","18:00:00",""
"4089579","13.4331","0.0004","15.1972","0.0003","13.9683","0.0004","90","","92.553","0.002","90","","2848.74","0.13","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","compound 5a","","","- C22 H47 N2 P Si2 Zr -","- C22 H47 N2 P Si2 Zr -","- C88 H188 N8 P4 Si8 Zr4 -","4","1","","Schröder, Fabian G.; Lichtenberg, Crispin; Elfferding, Michael; Sundermeyer, Jörg","Deprotonated P-ylides As Templates for Novel Cyclopentadienyl Phosphonioalkyl, -alkylidene, and -alkylidyne (CpPC) Constrained-Geometry Complexes","Organometallics","2013","32","18","5082","","10.1021/om4005548","","","0.71073","MoKα","","0.0387","0.0293","","","0.0741","0.0761","","","","","","0.931","","","","has coordinates","243690","2020-10-21","18:00:00",""
"4100044","11.962","0.0004","7.228","0.0001","20.281","0.0007","90","","100.49","0.001","90","","1724.21","0.07","273.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H17 B O4 -","- C22 H17 B O4 -","- C88 H68 B4 O16 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100164","15.31","0.005","19.927","0.006","28.867","0.009","90","0.0017","94.6626","0.0018","90","0.0017","8778","5","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C107 H110 N4 Pd -","- C107.02 H110 N4 Pd -","- C428.08 H440 N16 Pd4 -","4","1","","Yamashita, Makoto; Goto, Kei; Kawashima, Takayuki","Fixation of Both O2 and CO2 from Air by a Crystalline Palladium Complex Bearing N-Heterocyclic Carbene Ligands","Journal of the American Chemical Society","2005","127","20","7294","7295","10.1021/ja051054h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219002","2020-10-21","18:00:00",""
"4100389","8.0578","0.0001","14.7735","0.0002","24.2902","0.0003","90","","95.4998","0.0009","90","","2878.24","0.06","200","","200","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H24 Cl6 N2 O4 -","- C25 H24 Cl6 N2 O4 -","- C100 H96 Cl24 N8 O16 -","4","1","","Michael S. Sherburn; Alan Payne; Anthony C. Willis","Practical Synthesis and Diels-Alder Chemistry of [4]Dendralene","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178749","2020-10-21","18:00:00",""
"4100588","8.952","0.0004","10.9237","0.0005","13.4982","0.0005","90","","107.191","0.002","90","","1261.01","0.09","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H14 O Se -","- C13 H14 O Se -","- C52 H56 O4 Se4 -","4","1","","Fujiwara, Shin-ichi","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052175k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100660","14.971","0.005","8.349","0.003","21.008","0.007","90","","98.835","0.007","90","","2594.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C27 H32 N2 O3 S -","- C27 H32 N2 O3 S -","- C108 H128 N8 O12 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0432968","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101111","21.0805","0.0008","24.3424","0.001","28.0284","0.0012","90","","106.742","0.0023","90","","13773.1","1","120","2","120","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C135 H112 Cl10 Cu4 F24 N8 P10 -","- C135 H112 Cl10 Cu4 F24 N8 P10 -","- C540 H448 Cl40 Cu16 F96 N32 P40 -","4","1","","","Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems","Journal of the American Chemical Society","2006","","","","","10.1021/ja058617+","","","","","","","","","","","","","","","","","","","","","has coordinates","287954","2023-12-03","21:24:06",""
"4101153","7.5561","0.0008","17.312","0.002","8.2565","0.0009","90","","96.014","0.009","90","","1074.1","0.2","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H16 S2.75 -","- C28 H16 S2.752 -","- C56 H32 S5.504 -","2","0.5","","Miao, Qian; Chi, Xiaoliu; Zeis, Roswitha; Lefenfeld, Michael; Kloc, Christian; Siegrist, Theo; Steigerwald, Michael; Nuckolls, Colin","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0570786","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101352","12.9214","0.0019","17.031","0.002","13.687","0.002","90","","104.194","0.003","90","","2920","0.7","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C27 H35 I2 N3 Ni -","- C27 H35 I2 N3 Ni -","- C108 H140 I8 N12 Ni4 -","4","1","","Jones, Gavin D; Martin, Jason L; McFarland, Chris; Allen, Olivia R; Hall, Ryan E; Haley, Aireal D; Brandon, R Jacob; Konovalova, Tatyana; Desrochers, Patrick J; Pulay, Peter; Vicic, David A","Ligand redox effects in the synthesis, electronic structure, and reactivity of an alkyl-alkyl cross-coupling catalyst.","Journal of the American Chemical Society","2006","128","40","13175","13183","10.1021/ja063334i","","","0.7107","MoKα","","0.0368","0.0319","","","0.0811","0.0849","","","","","","1.076","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101385","23.9275","0.0007","14.7281","0.0005","25.8285","0.0007","90.033","0.003","91.522","0.002","90.048","0.003","9098.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C102 H90 Cl4 N4 O6 Ru2 -","- C102 H90 Cl4 N4 O6 Ru2 -","- C408 H360 Cl16 N16 O24 Ru8 -","4","1","","Samec, Joseph S M; Ell, Alida H; Aberg, Jenny B; Privalov, Timofei; Eriksson, Lars; Bäckvall, Jan-E","Mechanistic study of hydrogen transfer to imines from a hydroxycyclopentadienyl ruthenium hydride. Experimental support for a mechanism involving coordination of imine to ruthenium prior to hydrogen transfer.","Journal of the American Chemical Society","2006","128","44","14293","14305","10.1021/ja061494o","","","0.71073","MoKα","","0.1167","0.0583","","","0.1562","0.1839","","","","","","1.002","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101858","12.3808","0.0005","7.1865","0.0002","17.5078","0.0008","90","","98.452","0.002","90","","1540.83","0.1","297.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H22 O -","- C19 H22 O -","- C76 H88 O4 -","4","1","","Vanessa M. Marx; D. Jean Burnell","Nazarov Cyclizations of an Allenyl Vinyl Ketone with Interception of the Oxyallyl Cation Intermediate for the Formation of Carbon-Carbon Bonds","Journal of the American Chemical Society","2010","132","","1685","1689","10.1021/ja909073r","","","0.7107","MoKα","","","0.0526","","","","0.0693","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101965","17.1957","","4.6403","","12.03","","90","","109.939","","90","","902.369","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101968","19.9525","","4.5351","","11.0565","","90","","68.2256","","90","","929.083","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4102260","17.071","0.006","9.127","0.003","22.864","0.008","90","","111.787","0.0011","90","","3308","2","150","","150","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H50 Si6 -","- C28 H50 Si6 -","- C112 H200 Si24 -","4","1","","Takashi Abe; Takeaki Iwamoto; Mitsuo Kira","A Stable 1,2-Disilacyclohexene and Its 14-Electron Palladium(0) Complex","Journal of the American Chemical Society","2010","132","","5008","5009","10.1021/ja101654b","","","0.7107","MoKα","","0.0563","0.0534","","","0.1129","0.1144","","","","","","1.227","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102471","10.068","0.004","27.269","0.007","11.909","0.004","90","","113.082","0.013","90","","3007.8","1.8","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C62 H32 Cl8 F20 N6 O2 -","- C62 H32 Cl8 F20 N6 O2 -","- C124 H64 Cl16 F40 N12 O4 -","2","0.5","","Taro Koide; Ko Furukawa; Hiroshi Shinokubo; Jae-Yoon Shin; Kil Suk Kim; Dongho Kim; Atsuhiro Osuka","A Stable Non-Kekulé Singlet Biradicaloid from meso-Free 5,10,20,25-Tetrakis(Pentafluorophenyl)-Substituted [26]Hexaphyrin(1.1.1.1.1.1)","Journal of the American Chemical Society","2010","132","","7246","7247","10.1021/ja101040s","","","0.71075","MoKα","","0.1091","0.0778","","","0.2301","0.2555","","","","","","1.071","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102523","13.331","0.004","13.03","0.004","22.476","0.007","90","","105.846","0.003","90","","3756","2","173","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C192 H152 N8 O8 -","8","2","","Itaru Nakamura; Dong Zhang; Masahiro Terada","Copper-Catalyzed Tandem [2,3]-Rearrangement and 6π-3-Azatriene Electrocyclization in (E)-O-Propargylic α,β-Unsaturated Oximes","Journal of the American Chemical Society","2010","132","","7884","7886","10.1021/ja102436z","","","0.7107","MoKα","","","0.0393","","","","0.0857","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102932","11.161","0.005","9.014","0.004","13.808","0.006","90","","96.384","0.006","90","","1380.5","1.1","193.1","","193.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H13 N O4 -","- C18 H13 N O4 -","- C72 H52 N4 O16 -","4","1","","Masato Ito; Chika Kobayashi; Akio Himizu; Takao Ikariya","Highly Enantioselective Hydrogenative Desymmetrization of Bicyclic Imides Leading to Multiply Functionalized Chiral Cyclic Compounds","Journal of the American Chemical Society","2010","132","","11414","11415","10.1021/ja105048c","","","0.7107","MoKα","","","0.038","","","","0.1121","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102972","14.038","0.0017","10.9503","0.0017","15.929","0.003","90","","101.329","0.011","90","","2400.9","0.7","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","4-(4-(tert-butyl)phenyl)-5-iodo-3-methyl-1- n-octyl-1H-1,2,3-triazol-3-ium chloride","","- C21 H33 Cl I N3 -","- C21 H33 Cl I N3 -","- C84 H132 Cl4 I4 N12 -","4","1","","Nathan L. Kilah; Matthew D. Wise; Christopher J. Serpell; Amber L. Thompson; Nicholas G. White; Kirsten E. Christensen; Paul D. Beer","Enhancement of Anion Recognition Exhibited by a Halogen-Bonding Rotaxane Host System","Journal of the American Chemical Society","2010","132","","11893","11895","10.1021/ja105263q","","","0.71073","MoKα","","0.1773","0.1482","","0.2109","0.1734","0.1734","","","","","","1.1198","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103039","17.5658","0.0004","27.0237","0.0007","18.013","0.0004","90","","117.338","0.0007","90","","7595.6","0.3","173","","173","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C79 H98 Cl6 Cu N4 -","- C79 H98 Cl6 Cu N4 -","- C316 H392 Cl24 Cu4 N16 -","4","1","","Yohsuke Yamamoto; Yusuke Hirata; Megumi Kodama; Torahiko Yamaguchi; Shiro Matsukawa; Kin-ya Akiba; Daisuke Hashizume; Fujiko Iwasaki; Atsuya Muranaka; Masanobu Uchiyama; Ping Chen; Karl M. Kadish; Nagao Kobayashi","Synthesis, Reactions, and Electronic Properties of 16 π-Electron Octaisobutyltetraphenylporphyrin","Journal of the American Chemical Society","2010","132","","12627","12638","10.1021/ja102817a","","","0.71075","MoKα","","0.102","0.0713","","","0.1704","0.1857","","","","","","1.06","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103040","17.56","0.02","27.034","0.014","18.17","0.03","90","","117.05","0.17","90","","7682","2","173","","173","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C79 H98 Cl6 N4 Pd -","- C79 H98 Cl6 N4 Pd -","- C316 H392 Cl24 N16 Pd4 -","4","1","","Yohsuke Yamamoto; Yusuke Hirata; Megumi Kodama; Torahiko Yamaguchi; Shiro Matsukawa; Kin-ya Akiba; Daisuke Hashizume; Fujiko Iwasaki; Atsuya Muranaka; Masanobu Uchiyama; Ping Chen; Karl M. Kadish; Nagao Kobayashi","Synthesis, Reactions, and Electronic Properties of 16 π-Electron Octaisobutyltetraphenylporphyrin","Journal of the American Chemical Society","2010","132","","12627","12638","10.1021/ja102817a","","","0.71075","MoKα","","0.0868","0.056","","","0.1611","0.1703","","","","","","1.03","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103859","15.104","0.0002","14.136","0.0002","16.745","0.0003","90","","99.633","0.001","90","","3524.82","0.09","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C40 H42 F N2 O P Ru -","- C40 H42 F N2 O P Ru -","- C160 H168 F4 N8 O4 P4 Ru4 -","4","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.0443","0.0318","","","0.0729","0.0787","","","","","","1.071","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103860","13.731","0.0001","13.606","0.0001","21.764","0.0003","90","","105.746","0.004","90","","3913.46","0.1","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C44 H48 F N2 O2 P Ru -","- C44 H48 F N2 O2 P Ru -","- C176 H192 F4 N8 O8 P4 Ru4 -","4","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.0646","0.0396","","","0.0945","0.1059","","","","","","1.054","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103908","10.8911","0.0007","34.7331","0.0018","11.3866","0.0007","90","","108.577","0.0015","90","","4082.9","0.4","103.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C52 H35 Cl3 Fe N3 -","- C53 H36 Cl3 Fe N3 -","- C212 H144 Cl12 Fe4 N12 -","4","1","","Ken Albrecht; Kimihisa Yamamoto","Dendritic Structure Having a Potential Gradient: New Synthesis and Properties of Carbazole Dendrimers","Journal of the American Chemical Society","2009","131","","2244","2251","10.1021/ja807312e","","","0.71075","MoKα","","","0.0556","","","","0.1389","","","","","","0.882","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103990","8.982","0.006","16.187","0.011","12.881","0.009","90","0.004","92.017","0.004","90","0.004","1872","2","113","2","113","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H18 N2 O -","- C26 H18 N2 O -","- C104 H72 N8 O4 -","4","1","","Takuya Kochi; Seiya Urano; Hajime Seki; Eiichiro Mizushima; Mitsuo Sato; Fumitoshi Kakiuchi","Ruthenium-Catalyzed Amino- and Alkoxycarbonylations with Carbamoyl Chlorides and Alkyl Chloroformates via Aromatic C-H Bond Cleavage","Journal of the American Chemical Society","2009","131","","2792","2793","10.1021/ja8097492","","","0.7107","MoKα","","0.0369","0.0344","","","0.0834","0.0853","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104009","9.331","0.002","16.104","0.003","10.041","0.002","90","","97.237","0.014","90","","1496.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","tert-butyl 4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-1-carboxylate","","- C15 H20 N2 O2 -","- C15 H20 N1.97 O2 -","- C60 H80 N7.88 O8 -","4","1","","K. C. Nicolaou; Arkady Krasovskiy; Utpal Majumder; Vincent É. Trépanier; David Y.-K. Chen","New Synthetic Technologies for the Construction of Heterocycles and Tryptamines","Journal of the American Chemical Society","2009","131","","3690","3699","10.1021/ja808692j","","x-ray","0.7107","MoKα","","0.1013","0.0969","","","0.2064","0.2114","","","","","","1.091","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104115","13.8094","0.0009","15.6034","0.0008","15.091","0.001","90","","100.736","0.004","90","","3194.8","0.3","93.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C31 H29 Br4 Fe N4 O2 -","- C31 H29 Br4 Fe N4 O2 -","- C124 H116 Br16 Fe4 N16 O8 -","4","1","","Yuki Masuda; Masato Kuratsu; Shuichi Suzuki; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Yuko Hosokoshi; Xiao-Zheng Lan; Yuji Miyazaki; Akira Inaba; Keiji Okada","A New Ferrimagnet Based on a Radical-Substituted Radical Cation Salt","Journal of the American Chemical Society","2009","131","","4670","4673","10.1021/ja808093z","","","0.7107","MoKα","","","0.0443","","","","0.067","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104212","9.4644","0.0006","17.9359","0.0006","15.7593","0.001","90","","101.591","0.002","90","","2620.6","0.3","173","2","173","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C20 H21 F6 N7 O6 S2 Zn -","- C20 H21 F6 N7 O6 S2 Zn -","- C80 H84 F24 N28 O24 S8 Zn4 -","4","1","","Sébastien Ulrich; Jean-Marie Lehn","Adaptation to Shape Switching by Component Selection in a Constitutional Dynamic System","Journal of the American Chemical Society","2009","131","","5546","5559","10.1021/ja809828g","","","0.71073","MoKα","","0.1422","0.0747","","","0.1966","0.2324","","","","","","1.043","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104391","19.5083","0.001","18.2986","0.0005","22.217","0.001","90","","113.4","0.0019","90","","7278.6","0.5","153.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C75 H98 Cl6 Ir2 O6 P2 -","- C75 H98 Cl6 Ir2 O6 P2 -","- C300 H392 Cl24 Ir8 O24 P8 -","4","1","","Tomohiro Iwai; Tetsuaki Fujihara; Jun Terao; Yasushi Tsuji","Iridium-Catalyzed Addition of Acid Chlorides to Terminal Alkynes","Journal of the American Chemical Society","2009","131","","6668","6669","10.1021/ja901778y","","","0.7107","MoKα","","","0.0373","","","","0.0907","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104393","14.7624","0.0015","5.7017","0.0006","16.5862","0.0015","90","","94.381","0.006","90","","1392","0.2","153.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H13 Cl O3 -","- C17 H13 Cl O3 -","- C68 H52 Cl4 O12 -","4","1","","Tomohiro Iwai; Tetsuaki Fujihara; Jun Terao; Yasushi Tsuji","Iridium-Catalyzed Addition of Acid Chlorides to Terminal Alkynes","Journal of the American Chemical Society","2009","131","","6668","6669","10.1021/ja901778y","","","0.7107","MoKα","","","0.0437","","","","0.0584","","","","","","0.962","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104579","12.4922","0.0007","7.4836","0.0003","18.1749","0.0007","90","","102.338","0.0014","90","","1659.87","0.13","173.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C16 H18 Cl F3 Ir N O -","- C16 H18 Cl F3 Ir N O -","- C64 H72 Cl4 F12 Ir4 N4 O4 -","4","1","","Ryohei Yamaguchi; Chikako Ikeda; Yoshinori Takahashi; Ken-ichi Fujita","Homogeneous Catalytic System for Reversible Dehydrogenation-Hydrogenation Reactions of Nitrogen Heterocycles with Reversible Interconversion of Catalytic Species","Journal of the American Chemical Society","2009","131","","8410","8412","10.1021/ja9022623","","","0.71075","MoKα","","","0.0369","","","","0.0446","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104689","12.66","0.006","15.48","0.008","14.755","0.007","90","","90.479","0.002","90","","2892","2","103.15","","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H41 B N2 O -","- C33 H41 B N2 O -","- C132 H164 B4 N8 O4 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0782","0.0572","","","0.1295","0.1415","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104696","16.6728","0.0005","13.871","0.0005","18.4067","0.0006","90","","107.207","0.0012","90","","4066.4","0.2","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C29 H18 B F4 N -","- C29 H18 B F4 N -","- C232 H144 B8 F32 N8 -","8","2","","Dongqing Wu; Wojciech Pisula; Volker Enkelmann; Xinliang Feng; Klaus Müllen","Controllable Columnar Organization of Positively Charged Polycyclic Aromatic Hydrocarbons by Choice of Counterions","Journal of the American Chemical Society","2009","131","","9620","9621","10.1021/ja902420u","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104704","19.342","0.0002","21.149","0.0002","20.209","0.0002","90","","104.358","0.001","90","","8008.56","0.14","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C76 H93 B F24 N8 Ru -","- C76 H93 B F24 N8 Ru -","- C304 H372 B4 F96 N32 Ru4 -","4","1","","L. Jonas L. Häller; Elena Mas-Marzá; Aitor Moreno; John P. Lowe; Stuart A. Macgregor; Mary F. Mahon; Paul S. Pregosin; Michael K. Whittlesey","Formation of [Ru(NHC)4(η2-O2)H]+: An Unusual, High Frequency Hydride Chemical Shift and Facile, Reversible Coordination of O2","Journal of the American Chemical Society","2009","131","","9618","9619","10.1021/ja9039345","","","0.71073","MoKα","","0.0825","0.0533","","","0.1183","0.1355","","","","","","1.048","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104705","19.049","0.0002","21.272","0.0003","20.325","0.0003","90","","103.628","0.001","90","","8004.03","0.19","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C76 H93 B F24 N8 O2 Ru -","- C76 H92 B F24 N8 O2 Ru -","- C304 H368 B4 F96 N32 O8 Ru4 -","4","1","","L. Jonas L. Häller; Elena Mas-Marzá; Aitor Moreno; John P. Lowe; Stuart A. Macgregor; Mary F. Mahon; Paul S. Pregosin; Michael K. Whittlesey","Formation of [Ru(NHC)4(η2-O2)H]+: An Unusual, High Frequency Hydride Chemical Shift and Facile, Reversible Coordination of O2","Journal of the American Chemical Society","2009","131","","9618","9619","10.1021/ja9039345","","","0.71073","MoKα","","0.134","0.0673","","","0.1492","0.1796","","","","","","1.066","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104706","19.572","0.0003","21.174","0.0003","20.244","0.0003","90","","104.875","0.001","90","","8108.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C77 H93 B F24 N8 O Ru -","- C77 H92 B F24 N8 O Ru -","- C308 H368 B4 F96 N32 O4 Ru4 -","4","1","","L. Jonas L. Häller; Elena Mas-Marzá; Aitor Moreno; John P. Lowe; Stuart A. Macgregor; Mary F. Mahon; Paul S. Pregosin; Michael K. Whittlesey","Formation of [Ru(NHC)4(η2-O2)H]+: An Unusual, High Frequency Hydride Chemical Shift and Facile, Reversible Coordination of O2","Journal of the American Chemical Society","2009","131","","9618","9619","10.1021/ja9039345","","","0.71073","MoKα","","0.1121","0.0664","","","0.1453","0.1739","","","","","","1.057","","","","has coordinates,has disorder","178793","2020-10-21","18:00:00",""
"4104878","8.182","0.004","15.809","0.009","8.773","0.005","90","","94.5764","0.0018","90","","1131.2","1.1","103","2","103","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H10 Cl N -","- C15 H10 Cl N -","- C60 H40 Cl4 N4 -","4","1","","Fumitoshi Kakiuchi; Takuya Kochi; Hitoshi Mutsutani; Noboru Kobayashi; Seiya Urano; Mitsuo Sato; Shigeru Nishiyama; Takamasa Tanabe","Palladium-Catalyzed Aromatic C-H Halogenation with Hydrogen Halides by Means of Electrochemical Oxidation","Journal of the American Chemical Society","2009","131","","11310","11311","10.1021/ja9049228","","","0.7107","MoKα","","0.034","0.0307","","","0.084","0.0865","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105019","24.966","0.003","23.633","0.002","26.912","0.003","90","","98.348","0.0016","90","","15710","3","173.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C100 H147 Fe10 N2 S11 Si16 -","- C100 H147 Fe10 N2 S11 Si16 -","- C400 H588 Fe40 N8 S44 Si64 -","4","1","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.1175","","","","0.2945","","","","","","1.715","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105132","27.695","0.008","15.054","0.005","32.739","0.011","90","0.0014","102.696","0.0016","90","0.0014","13316","7","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C78 H84 O6 Si3 -","- C78 H84 O6 Si3 -","- C624 H672 O48 Si24 -","8","2","","Shunsuke Furukawa; Junji Kobayashi; Takayuki Kawashima","Development of a Sila-Friedel-Crafts Reaction and Its Application to the Synthesis of Dibenzosilole Derivatives","Journal of the American Chemical Society","2009","131","","14192","14193","10.1021/ja906566r","","","0.7107","MoKα","","0.1961","0.1489","","","0.3862","0.4551","","","","","","1.58","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105361","9.669","","11.802","","10.02","","90","","111.59","","90","","1063.2","","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","rac-(1R,4S,6R)-4,6-Dimethyl-2-(propan-2-ylidene)-1,3-dithiane-1-oxide","","- C9 H16 O S2 -","- C9 H16 O S2 -","- C36 H64 O4 S8 -","4","1","","Roland Ulshöfer; Joachim Podlech","Stereoelectronic Effects in Vinyl Sulfoxides","Journal of the American Chemical Society","2009","131","","16618","16619","10.1021/ja904354g","","","0.71073","MoKα","","0.0483","0.0391","","","0.1175","0.122","","","","","","1.07","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105374","14.06","0.002","4.0593","0.0006","14.259","0.002","90","","93.524","0.005","90","","812.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","AuEtthiazdt2neutral","","","- C10 H10 Au N2 S8 -","- C10 H10 Au N2 S8 -","- C20 H20 Au2 N4 S16 -","2","0.5","","Nadine Tenn; Nathalie Bellec; Olivier Jeannin; Lidia Piekara-Sady; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy","A Single-Component Molecular Metal Based on a Thiazole Dithiolate Gold Complex","Journal of the American Chemical Society","2009","131","","16961","16967","10.1021/ja907426s","","","0.71073","MoKα","","0.0421","0.0322","","","0.0664","0.0702","","","","","","1.061","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105499","7.873","0.003","26.978","0.01","10.642","0.004","90","","109.945","0.004","90","","2124.8","1.4","293","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C19 H10 Au2 Cl N7 Pb -","- C19 H10 Au2 Cl N7 Pb -","- C76 H40 Au8 Cl4 N28 Pb4 -","4","1","","Michael J. Katz; Daniel B. Leznoff","Highly Birefringent Cyanoaurate Coordination Polymers: The Effect of Polarizable C-X Bonds (X = Cl, Br)","Journal of the American Chemical Society","2009","131","","18435","18444","10.1021/ja907519c","","","0.71073","MoKα","","0.1053","0.0747","","0.5973","0.0822","0.0819","","","","","","3.505","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105534","16.8292","0.0003","11.1616","0.0002","18.6043","0.0003","90","","101.781","0.0011","90","","3421.03","0.1","100","2","100","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C35 H30 Cl4 N2 O2 P2 Pt -","- C35 H30 Cl4 N2 O2 P2 Pt -","- C140 H120 Cl16 N8 O8 P8 Pt4 -","4","1","","Urs Gellrich; Jing Huang; Wolfgang Seiche; Manfred Keller; Markus Meuwly; Bernhard Breit","Ligand Self-Assembling through Complementary Hydrogen-Bonding in the Coordination Sphere of a Transition Metal Center: The 6-Diphenylphosphanylpyridin-2(1H)-one System","Journal of the American Chemical Society","2011","133","","964","975","10.1021/ja108639e","","","0.71073","MoKα","","0.025","0.0205","","","0.0478","0.0496","","","","","","1.059","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105627","18.932","0.004","6.7865","0.0013","20.175","0.004","90","","114.731","0.0009","90","","2354.4","0.8","123.1","","123.1","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C24 H29 Cl2 N O2 Pt -","- C24 H29 Cl2 N O2 Pt -","- C96 H116 Cl8 N4 O8 Pt4 -","4","1","","Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa","Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate","Journal of the American Chemical Society","2011","133","","1754","1756","10.1021/ja1092375","","","0.7107","MoKα","","","0.0495","","","","0.1314","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105694","9.976","0.003","37.485","0.013","10.185","0.004","90","","95.426","0.004","90","","3792","2","103.15","","103","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C145 H24 S6 -","- C145 H24 S6 -","- C290 H48 S12 -","2","0.5","","Masakazu Nambo; Yasutomo Segawa; Kenichiro Itami","Aziridinofullerene: A Versatile Platform for Functionalized Fullerenes","Journal of the American Chemical Society","2011","133","","2402","2405","10.1021/ja111213k","","","0.7107","MoKα","","0.1291","0.0846","","","0.1865","0.2144","","","","","","1.097","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105869","6.334","0.002","7.462","0.005","19.516","0.002","90","","93.06","0.03","90","","921.1","0.7","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","DPh-BTBT","DPh-BTBT","","- C26 H16 S2 -","- C26 H16 S2 -","- C52 H32 S4 -","2","0.5","","Shoji Shinamura; Itaru Osaka; Eigo Miyazaki; Akiko Nakao; Masakazu Yamagishi; Jun Takeya; Kazuo Takimiya","Linear- and Angular-Shaped Naphthodithiophenes: Selective Synthesis, Properties, and Application to Organic Field-Effect Transistors","Journal of the American Chemical Society","2011","133","","5024","5035","10.1021/ja110973m","","","1","synchrotron","","0.1064","0.0843","","","0.2231","0.2377","","","","","","1.011","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4106471","6.8663","0.0017","13.572","0.003","11.058","0.003","90","","103.851","0.004","90","","1000.5","0.4","123.1","","123.1","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H8 N4 -","- C12 H8 N4 -","- C48 H32 N16 -","4","1","","Kosuke Namba; Ayumi Osawa; Shoji Ishizaka; Noboru Kitamura; Keiji Tanino","Direct Synthesis of Fluorescent 1,3a,6a-Triazapentalene Derivatives via Click-Cyclization-Aromatization Cascade Reaction","Journal of the American Chemical Society","2011","133","","11466","11469","10.1021/ja203917r","","","0.7107","MoKα","","","0.0461","","","","0.1106","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106500","12.9378","0.0008","8.0214","0.0006","20.4472","0.0011","90","","96.7134","0.0018","90","","2107.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","YS-11-04","trans-3,4-dibenzoyl-tosylpyrrolidine","","- C25 H23 N O4 S -","- C25 H23 N O4 S -","- C100 H92 N4 O16 S4 -","4","1","","Yosuke Ashikari; Toshiki Nokami; Jun-ichi Yoshida","Integrated Electrochemical-Chemical Oxidation Mediated by Alkoxysulfonium Ions","Journal of the American Chemical Society","2011","133","","11840","11843","10.1021/ja202880n","","","0.71075","MoKα","","0.0428","0.0366","","","0.0951","0.0988","","","","","","1.013","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106674","17.7379","0.0011","11.9358","0.0007","11.4315","0.001","90","","90.061","0.009","90","","2420.2","0.3","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C19 H45 Li N4 Zn -","- C19 H45 Li N4 Zn -","- C76 H180 Li4 N16 Zn4 -","4","1","","Ross Campbell; Daniel Cannon; Pablo García-Álvarez; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Jörg Saßmannshausen; Tell Tuttle","Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects","Journal of the American Chemical Society","2011","133","","13706","13717","10.1021/ja205547h","","","1.5418","CuKα","","0.082","0.0541","","","0.1206","0.1289","","","","","","1.061","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106963","26.1743","0.0006","19.2424","0.0005","29.4693","0.0006","90","","98.154","0.001","90","","14692.3","0.6","173","2","173","2","","","","","","","synthesis as described","8","P 1 21/a 1","-P 2yab","14","TLC127 CH2Cl2/Et2O","","","- C60 H72 Ag2 Au2 F22 I4 N2 O4 -","- C60 H72 Ag2 Au2 F22 I4 N2 O4 -","- C480 H576 Ag16 Au16 F176 I32 N16 O32 -","8","2","","Tania Lasanta; M. Elena Olmos; Antonio Laguna; José M. López-de-Luzuriaga; Panče Naumov","Making the Golden Connection: Reversible Mechanochemical and Vapochemical Switching of Luminescence from Bimetallic Gold-Silver Clusters Associated through Aurophilic Interactions","Journal of the American Chemical Society","2011","133","","16358","16361","10.1021/ja206845s","","x-ray","0.71073","MoKα","","0.154","0.0583","","","0.0726","0.0917","","","","","","1.011","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4107136","16.3263","0.001","17.2761","0.001","17.4555","0.0011","90","","90.027","0.003","90","","4923.4","0.5","113","2","113","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","9b","","","- C39 H49 Cl13 Co N2 Ta -","- C39 H49 Cl13 Co N2 Ta -","- C156 H196 Cl52 Co4 N8 Ta4 -","4","1","","Hayato Tsurugi; Teruhiko Saito; Hiromasa Tanahashi; John Arnold; Kazushi Mashima","Carbon Radical Generation by d0 Tantalum Complexes with α-Diimine Ligands through Ligand-Centered Redox Processes","Journal of the American Chemical Society","2011","133","","18673","18683","10.1021/ja204665s","","","0.71075","MoKα","","0.0981","0.0663","","","0.1618","0.2017","","","","","","1.098","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107142","18.635","0.002","27.701","0.003","27.386","0.003","90","","99.7603","0.0014","90","","13932","3","113.1","","113.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C120 H184 Ge6 P12 Pd8 -","- C120 H170 Ge6 P12 Pd8 -","- C480 H680 Ge24 P48 Pd32 -","4","1","","Makoto Tanabe; Naoko Ishikawa; Mai Chiba; Tomohito Ide; Kohtaro Osakada; Tomoaki Tanase","Tetrapalladium Complex with Bridging Germylene Ligands. Structural Change of the Planar Pd4Ge3 Core","Journal of the American Chemical Society","2011","133","","18598","18601","10.1021/ja208565q","","","0.7107","MoKα","","0.0983","0.0799","","","0.1158","0.1225","","","","","","1.302","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107180","12.08","0.0002","6.576","0.0001","19.293","0.0004","90","","104.5","0.001","90","","1483.78","0.05","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H15 N O2 S -","- C18 H15 N O2 S -","- C72 H60 N4 O8 S4 -","4","1","","Ourida Saidi; Jameel Marafie; Araminta E. W. Ledger; Po Man Liu; Mary F. Mahon; Gabriele Kociok-Köhn; Michael K. Whittlesey; Christopher G. Frost","Ruthenium-Catalyzed Meta Sulfonation of 2-Phenylpyridines","Journal of the American Chemical Society","2011","133","","19298","19301","10.1021/ja208286b","","","0.71073","MoKα","","0.0506","0.0391","","","0.0941","0.1002","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107182","11.6399","0.0004","6.7536","0.0002","17.8463","0.0007","90","","92.162","0.002","90","","1401.92","0.08","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H12 F N O2 S -","- C17 H12 F N O2 S -","- C68 H48 F4 N4 O8 S4 -","4","1","","Ourida Saidi; Jameel Marafie; Araminta E. W. Ledger; Po Man Liu; Mary F. Mahon; Gabriele Kociok-Köhn; Michael K. Whittlesey; Christopher G. Frost","Ruthenium-Catalyzed Meta Sulfonation of 2-Phenylpyridines","Journal of the American Chemical Society","2011","133","","19298","19301","10.1021/ja208286b","","","0.71073","MoKα","","0.0582","0.0403","","","0.0928","0.1012","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107557","18.888","0.003","13.641","0.002","21.276","0.004","90","","113.504","0.002","90","","5027","1.4","123.2","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C55 H75 Cl Fe2 N P2 Rh -","- C55 H75 Cl Fe2 N P2 Rh -","- C220 H300 Cl4 Fe8 N4 P8 Rh4 -","4","1","","Denise A. Colby; Robert G. Bergman; Jonathan A. Ellman","Synthesis of Dihydropyridines and Pyridines from Imines and Alkynes via C-H Activation","Journal of the American Chemical Society","2008","130","","3645","3651","10.1021/ja7104784","","","0.7107","MoKα","","0.0866","0.0404","","0.053","","0.0433","","","","","","1.27","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108063","12.763","0.004","16.265","0.007","16.571","0.006","90","","92.249","0.012","90","","3437","2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C40 H45 N Rh2 -","- C40 H45 N Rh2 -","- C160 H180 N4 Rh8 -","4","1","","Shin Takemoto; Shohei Otsuki; Yasuhiro Hashimoto; Ken Kamikawa; Hiroyuki Matsuzaka","Divalent Dirhodium Imido Complexes: Formation, Structure, and Alkyne Cycloaddition Reactivity","Journal of the American Chemical Society","2008","130","","8904","8905","10.1021/ja8033922","","","0.71075","MoKα","","0.1543","0.1013","","","0.2629","0.2837","","","","","","1.431","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108283","12.072","0.003","11.15","0.003","13.468","0.004","90","0.002","108.622","0.002","90","0.002","1717.9","0.8","123.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Jun-ichi Matsuo; Shun Sasaki; Hiroyuki Tanaka; Hiroyuki Ishibashi","Lewis Acid-Catalyzed Intermolecular [4 + 2] Cycloaddition of 3-Alkoxycyclobutanones to Aldehydes and Ketones","Journal of the American Chemical Society","2008","130","","11600","11601","10.1021/ja8045684","","","0.7107","MoKα","","","0.0636","","","","0.0795","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108288","19.672","0.003","18.066","0.003","19.481","0.004","90","","93.826","0.003","90","","6908","2","173.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C69 H61 B F24 P Rh S -","- C69 H52 B F23.88 P Rh S -","- C276 H208 B4 F95.52 P4 Rh4 S4 -","4","1","","Yasuhiro Ohki; Mayumi Sakamoto; Kazuyuki Tatsumi","Reversible Heterolysis of H2 Mediated by an M-S(Thiolate) Bond (M = Ir, Rh): A Mechanistic Implication for [NiFe] Hydrogenase","Journal of the American Chemical Society","2008","130","","11610","11611","10.1021/ja804848w","","","0.7107","MoKα","","","0.0708","","","","0.1978","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108565","16.4909","0.0006","10.7097","0.0004","18.2991","0.0006","90","","93.922","0.003","90","","3224.3","0.2","293","","293","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C48 H30 -","- C48 H30 -","- C192 H120 -","4","1","","Matthew Carnes; Daniela Buccella; Theo Siegrist; Michael L. Steigerwald; Colin Nuckolls","Reactions of Strained Hydrocarbons with Alkene and Alkyne Metathesis Catalysts","Journal of the American Chemical Society","2008","130","","14078","14079","10.1021/ja806351m","","","0.71073","MoKα","","0.1704","0.0617","","0.1711","0.059","0.059","","","","","","1.5652","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108729","12.66","0.006","15.48","0.008","14.755","0.007","90","","90.479","0.002","90","","2892","2","103.15","","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H41 B N2 O -","- C33 H41 B N2 O -","- C132 H164 B4 N8 O4 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.0782","0.0572","","","0.1295","0.1415","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109035","15.512","0.002","10.083","0.001","16.336","0.002","90","","111.022","0.002","90","","2385","0.5","173.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C21 H41 Cl Ir O P -","- C21 H41 Cl Ir O P -","- C84 H164 Cl4 Ir4 O4 P4 -","4","1","","Mitchell R. Anstey; Cathleen M. Yung; Juana Du; Robert G. Bergman","Unexpected C-C Bond Cleavage and C-C Bond Formation Observed in the Reaction of a Cationic Iridium Complex with Heteroatom-Substituted Cyclopropanes","Journal of the American Chemical Society","2007","129","","776","777","10.1021/ja068312a","","","0.7107","MoKα","","0.0671","0.0368","","0.0466","","0.041","","","","","","1.291","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109307","8.017","0.007","21.24","0.02","16.75","0.02","90","","90.28","0.05","90","","2852","5","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C37 H21 B N6 O -","- C37 H21 B N6 O -","- C148 H84 B4 N24 O4 -","4","1","","Yasuhide Inokuma; Zin Seok Yoon; Dongho Kim; Atsuhiro Osuka","meso-Aryl-Substituted Subporphyrins: Synthesis, Structures, and Large Substituent Effects on Their Electronic Properties","Journal of the American Chemical Society","2007","129","","4747","4761","10.1021/ja069324z","","","0.71075","MoKα","","0.1589","0.0854","","","0.1701","0.2036","","","","","","1.023","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109378","13.5714","0.0002","7.3787","0.0001","19.5966","0.0004","90","","104.157","0.001","90","","1902.79","0.06","120","1","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H27 N O2 S Si -","- C18 H27 N O2 S Si -","- C72 H108 N4 O8 S4 Si4 -","4","1","","Florian Monnier; Chloé Vovard-Le Bray; Dante Castillo; Vincent Aubert; Sylvie Dérien; Pierre H. Dixneuf; Loic Toupet; Andrea Ienco; Carlo Mealli","Selective Ruthenium-Catalyzed Transformations of Enynes with Diazoalkanes into Alkenylbicyclo[3.1.0]hexanes","Journal of the American Chemical Society","2007","129","","6037","6049","10.1021/ja0700146","","","0.71069","MoKα","","0.066","0.0509","","","0.1426","0.1579","","","","","","1.02","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109379","12.556","0.0002","12.583","0.0002","13.036","0.0002","90","","100.506","0.001","90","","2025.06","0.06","130","1","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H29 N O2 S Si -","- C20 H29 N O2 S Si -","- C80 H116 N4 O8 S4 Si4 -","4","1","","Florian Monnier; Chloé Vovard-Le Bray; Dante Castillo; Vincent Aubert; Sylvie Dérien; Pierre H. Dixneuf; Loic Toupet; Andrea Ienco; Carlo Mealli","Selective Ruthenium-Catalyzed Transformations of Enynes with Diazoalkanes into Alkenylbicyclo[3.1.0]hexanes","Journal of the American Chemical Society","2007","129","","6037","6049","10.1021/ja0700146","","","0.71069","MoKα","","0.0415","0.0376","","","0.1024","0.1063","","","","","","1.056","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109524","6.9438","0.0012","7.6221","0.0016","21.557","0.004","90","","94.07","0.02","90","","1138.1","0.4","180","2","180","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","rac-(3S,4R)-3.4-Dihydroxy-6-phenylhexan-2-one","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","","Morris Markert; Michael Mulzer; Bernd Schetter; Rainer Mahrwald","Amine-Catalyzed Direct Aldol Addition","Journal of the American Chemical Society","2007","129","","7258","7259","10.1021/ja071926a","","","0.71073","MoKα","","0.0958","0.0736","","","0.185","0.2058","","","","","","0.978","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109548","14.133","0.007","5.25","0.003","16.352","0.008","90","","96.172","0.018","90","","1206.3","1.1","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Takahiro Nishimura; Yuichi Yasuhara; Tamio Hayashi","Iridium-Catalyzed [3 + 2] Annulation of 1,3-Dienes with ortho-Carbonylated Phenylboronic Acids. A Catalytic Process Involving Regioselective 1,2-Addition","Journal of the American Chemical Society","2007","129","","7506","7507","10.1021/ja072369v","","","0.71075","MoKα","","0.0621","0.0506","","","0.1249","0.136","","","","","","1.08","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109751","12.66","0.006","15.48","0.008","14.755","0.007","90","0.002","90.479","0.002","90","0.002","2892","2","103.15","","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H41 B N2 O -","- C33 H41 B N2 O -","- C132 H164 B4 N8 O4 -","4","1","","Makoto Yamashita; Yuta Suzuki; Yasutomo Segawa; Kyoko Nozaki","Synthesis, Structure of Borylmagnesium, and Its Reaction with Benzaldehyde to Form Benzoylborane","Journal of the American Chemical Society","2007","129","","9570","9571","10.1021/ja073037t","","","0.7107","MoKα","","0.0782","0.0572","","","0.1295","0.1415","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109991","14.3478","0.0003","9.3575","0.0002","16.7753","0.0004","90","","90.5394","0.0013","90","","2252.14","0.09","123.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H24 Cl2 N2 -","- C26 H24 Cl2 N2 -","- C104 H96 Cl8 N8 -","4","1","","Shinji Yamada; Naoko Uematsu; Kaori Yamashita","Role of Cation-π Interactions in the Photodimerization of trans-4-Styrylpyridines","Journal of the American Chemical Society","2007","129","","12100","12101","10.1021/ja074874y","","","1.54187","CuKα","","","0.0779","","","","0.2454","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110018","10.979","0.004","14.52","0.006","14.534","0.006","90","","108.12","0.014","90","","2202","1.5","123.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H23 F3 N2 O3 -","- C24 H23 F3 N2 O3 -","- C96 H92 F12 N8 O12 -","4","1","","Ryo Shintani; Masataka Murakami; Tamio Hayashi","γ-Methylidene-δ-valerolactones as a Coupling Partner for Cycloaddition: Palladium-Catalyzed [4 + 3] Cycloaddition with Nitrones","Journal of the American Chemical Society","2007","129","","12356","12357","10.1021/ja073997f","","","0.71075","MoKα","","","0.068","","","","0.0829","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110122","12.443","0.006","13.305","0.005","25.211","0.009","90","","102.175","0.017","90","","4080","3","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H21 B F2 N2 O2 -","- C25 H21 B F2 N2 O2 -","- C200 H168 B8 F16 N16 O16 -","8","2","","Hiromitsu Maeda; Yohei Haketa; Takashi Nakanishi","Aryl-Substituted C3-Bridged Oligopyrroles as Anion Receptors for Formation of Supramolecular Organogels","Journal of the American Chemical Society","2007","129","","13661","13674","10.1021/ja074435z","","","0.71075","MoKα","","0.123","0.0641","","","0.1865","0.2475","","","","","","1.005","","","","has coordinates,has disorder","178872","2020-10-21","18:00:00",""
"4110183","16.198","0.002","14.5225","0.0019","16.624","0.002","90","","106.924","0.0002","90","","3741.2","0.8","296.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C29 H33 B2 Cl N16 O2 Ru2 -","- C29 H33 B2 Cl N16 O2 Ru2 -","- C116 H132 B8 Cl4 N64 O8 Ru8 -","4","1","","Yasuhiro Arikawa; Taiki Asayama; Yusuke Moriguchi; Shoko Agari; Masayoshi Onishi","Reversible N-N Coupling of NO Ligands on Dinuclear Ruthenium Complexes and Subsequent N2O Evolution: Relevance to Nitric Oxide Reductase","Journal of the American Chemical Society","2007","129","","14160","14161","10.1021/ja0763504","","","0.7107","MoKα","","","0.0354","","","","0.1053","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110184","11.3955","0.0007","30.7747","0.0014","11.7111","0.0007","90","","115.888","0.0007","90","","3694.9","0.4","296.1","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C21 H23 B4 Cl F8 N16 O2 Ru2 -","- C21 H23 B4 Cl F8 N16 O2 Ru2 -","- C84 H92 B16 Cl4 F32 N64 O8 Ru8 -","4","1","","Yasuhiro Arikawa; Taiki Asayama; Yusuke Moriguchi; Shoko Agari; Masayoshi Onishi","Reversible N-N Coupling of NO Ligands on Dinuclear Ruthenium Complexes and Subsequent N2O Evolution: Relevance to Nitric Oxide Reductase","Journal of the American Chemical Society","2007","129","","14160","14161","10.1021/ja0763504","","","0.7107","MoKα","","","0.0789","","","","0.2543","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110185","15.8308","0.0011","16.2176","0.0009","16.1017","0.0011","90","","107.992","0.0009","90","","3931.8","0.4","296.1","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C23 H24 B2 Br Cl7 N14 O Ru2 -","- C23 H23 B2 Br Cl7 N14 O Ru2 -","- C92 H92 B8 Br4 Cl28 N56 O4 Ru8 -","4","1","","Yasuhiro Arikawa; Taiki Asayama; Yusuke Moriguchi; Shoko Agari; Masayoshi Onishi","Reversible N-N Coupling of NO Ligands on Dinuclear Ruthenium Complexes and Subsequent N2O Evolution: Relevance to Nitric Oxide Reductase","Journal of the American Chemical Society","2007","129","","14160","14161","10.1021/ja0763504","","","0.7107","MoKα","","","0.0628","","","","0.1989","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110301","5.864","0.005","7.74","0.007","37.91","0.03","90","0.003","90.589","0.003","90","0.003","1721","3","294.2","","294.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","BTBT-C12","BTBT-C12","","- C38 H56 S2 -","- C38 H56 S2 -","- C76 H112 S4 -","2","0.5","","Hideaki Ebata; Takafumi Izawa; Eigo Miyazaki; Kazuo Takimiya; Masaaki Ikeda; Hirokazu Kuwabara; Tatsuto Yui","Highly Soluble [1]Benzothieno[3,2-b]benzothiophene (BTBT) Derivatives for High-Performance, Solution-Processed Organic Field-Effect Transistors","Journal of the American Chemical Society","2007","129","","15732","15733","10.1021/ja074841i","","","0.7107","MoKα","","0.0957","0.0608","","","0.1405","0.1646","","","","","","0.818","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110492","10.0193","0.0006","20.799","0.001","12.0023","0.0007","90","","112.696","0.002","90","","2307.5","0.2","273.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C12 H18 B2 F8 N6 Pd2 -","- C12 H18 B2 F8 N6 Pd2 -","- C48 H72 B8 F32 N24 Pd8 -","4","1","","Tetsuro Murahashi; Hiromitsu Nakashima; Tomoki Nagai; Yukari Mino; Taketoshi Okuno; M. Abdul Jalil; Hideo Kurosawa","Stereoretentive Elimination and Trans-olefination of the Dicationic Dipalladium Moiety [Pd2Ln]2+ Bound on 1,3,5-Trienes","Journal of the American Chemical Society","2006","128","","4377","4388","10.1021/ja0576740","","","0.7107","MoKα","","","0.0406","","","","0.0501","","","","","","2.427","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110641","17.653","0.0008","17.704","0.0009","23.816","0.0007","90","","110.625","0.002","90","","6966.1","0.5","153","2","153","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","Fe2C60Me5Ph5Cp2_C5v","","- C111 H55 Cl Fe2 -","- C111 H55 Cl Fe2 -","- C444 H220 Cl4 Fe8 -","4","1","","Yutaka Matsuo; Kazukuni Tahara; Eiichi Nakamura","Synthesis and Electrochemistry of Double-Decker Buckyferrocenes","Journal of the American Chemical Society","2006","128","","7154","7155","10.1021/ja061175x","","x-ray","0.71073","MoKα","","0.1109","0.0831","","","0.221","0.2628","","","","","","1.031","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110721","20.58","0.001","12.4542","0.0007","21.982","0.001","90","","100.08","0.005","90","","5547.2","0.5","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C50 H65 N6 P2 Si6 Ta2 -","- C50 H65 N6 P2 Si6 Ta2 -","- C200 H260 N24 P8 Si24 Ta8 -","4","1","","Bruce A. MacKay; Rui F. Munha; Michael D. Fryzuk","Substituent Effects in the Hydrosilylation of Coordinated Dinitrogen in a Ditantalum Complex: Cleavage and Functionalization of N2","Journal of the American Chemical Society","2006","128","","9472","9483","10.1021/ja061508q","","","0.71069","MoKα","","0.1","0.0762","","","0.1523","0.1581","","","","","","1.295","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110795","12.352","0.005","10.816","0.005","12.959","0.005","90","","115.46","0.03","90","","1563.2","1.2","93.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H4 Br F9 O4 S2 -","- C10 Br F9 O4 S2 -","- C40 Br4 F36 O16 S8 -","4","1","","Masahito Ochiai; Norihiro Tada; Kentaro Murai; Satoru Goto; Motoo Shiro","Synthesis and Characterization of Bromonium Ylides and Their Unusual Ligand Transfer Reactions with N-Heterocycles","Journal of the American Chemical Society","2006","128","","9608","9609","10.1021/ja063492+","","","0.7107","MoKα","","","0.063","","","","0.203","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111115","8.976","0.004","24.23","0.012","10.021","0.005","90","","111.058","0.006","90","","2033.9","1.7","143","","143","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H22 O3 -","- C27 H22 O3 -","- C108 H88 O12 -","4","1","","Paul A. Wender; Thomas J. Paxton; Travis J. Williams","Cyclopentadienone Synthesis by Rhodium(I)-Catalyzed [3 + 2] Cycloaddition Reactions of Cyclopropenones and Alkynes","Journal of the American Chemical Society","2006","128","","14814","14815","10.1021/ja065868p","","","0.71073","MoKα","","0.0885","0.0511","","","0.1216","0.1419","","","","","","0.975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111445","13.072","0.002","12.454","0.002","18.86","0.003","90","","109.734","0.011","90","","2890.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H28 F12 Ir N4 P2 -","- C23 H28 F12 Ir N4 P2 -","- C92 H112 F48 Ir4 N16 P8 -","4","1","","Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin","IrII(ethene): Metal or Carbon Radical?","Journal of the American Chemical Society","2005","127","","1895","1905","10.1021/ja0439470","","","0.71073","MoKα","","0.0546","0.0393","","0.1011","0.0939","0.1011","","","1.051","","","1.051","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111638","6.154","0.009","7.604","0.009","19.5","0.03","90","","97.18","0.06","90","","905","2","93.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H12 F6 S2 -","- C22 H12 F6 S2 -","- C44 H24 F12 S4 -","2","0.5","","Shinji Ando; Jun-ichi Nishida; Hirokazu Tada; Youji Inoue; Shizuo Tokito; Yoshiro Yamashita","High Performance n-Type Organic Field-Effect Transistors Based on π-Electronic Systems with Trifluoromethylphenyl Groups","Journal of the American Chemical Society","2005","127","","5336","5337","10.1021/ja042219+","","","0.7107","MoKα","","","0.0507","","","","0.0602","","","","","","0.866","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111643","16.122","0.002","15.48","0.002","22.026","0.003","90","","95.67","0.01","90","","5470.1","1.2","173","2","173","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C52 H49 F12 N4 O2 P3 Ru S3 -","- C52 H49 F12 N4 O2 P3 Ru S3 -","- C208 H196 F48 N16 O8 P12 Ru4 S12 -","4","1","","Carolyn Moorlag; Michael O. Wolf; Cornelia Bohne; Brian O. Patrick","Reversible Molecular Switching of Ruthenium Bis(bipyridyl) Groups Bonded to Oligothiophenes: Effect on Electrochemical and Spectroscopic Properties","Journal of the American Chemical Society","2005","127","","6382","6393","10.1021/ja043573a","","","0.71073","MoKα","","0.0482","0.0318","","","0.0854","0.0914","","","","","","1.054","","","","has coordinates,has disorder","178887","2020-10-21","18:00:00",""
"4111975","16.036","0.009","11.237","0.006","15.621","0.009","90","","93.755","0.009","90","","2809","3","223.2","","","","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C18 H33 Cu I Mo O4 P Ru S3 -","- C18 H33 Cu I Mo O4 P Ru S3 -","- C72 H132 Cu4 I4 Mo4 O16 P4 Ru4 S12 -","4","1","","Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi","Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center","Journal of the American Chemical Society","2005","127","","14366","14374","10.1021/ja051748q","","","0.7107","MoKα","","","0.0567","","","","0.1447","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112110","23.4007","0.0004","14.6593","0.0003","24.5593","0.0003","90","","106.901","0.001","90","","8060.9","0.2","150","1","150","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C45 H40 Cl2 N4 Ni O5 -","- C45 H40 Cl2 N4 Ni O5 -","- C360 H320 Cl16 N32 Ni8 O40 -","8","2","","Ewa Szajna; Atta M. Arif; Lisa M. Berreau","Aliphatic Carbon-Carbon Bond Cleavage Reactivity of a Mononuclear Ni(II)cis-β-Keto-Enolate Complex in the Presence of Base and O2: A Model Reaction for Acireductone Dioxygenase (ARD)","Journal of the American Chemical Society","2005","127","","17186","17187","10.1021/ja056346x","","","0.71073","MoKα","","0.0961","0.0665","","","0.1771","0.1999","","","","","","1.038","","","","has coordinates,has disorder","178892","2020-10-21","18:00:00",""
"4112150","15.7","0.0001","8.993","0.0001","15.705","0.0002","90","","112.5","","90","","2048.6","0.04","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound 1","","","- C12 H34 Ag B11 -","- C12 H34 Ag B11 -","- C48 H136 Ag4 B44 -","4","1","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.0402","0.0337","","","0.0853","0.0895","","","","","","1.077","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112154","20.008","0.0005","12.283","0.0004","37.481","0.0011","90","","102.378","0.002","90","","8997.1","0.5","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H69 Ag B11 O2 P -","- C38 H69 Ag B11 O2 P -","- C304 H552 Ag8 B88 O16 P8 -","8","2","","Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller","Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-","Journal of the American Chemical Society","2004","126","","1503","1517","10.1021/ja038173m","","","0.71073","MoKα","","0.1718","0.0754","","","0.1464","0.1927","","","","","","1.041","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112172","16.576","0.003","11.509","0.004","17.059","0.002","90","","115.36","0.02","90","","2940.8","1.3","293","2","250","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H37 Li N4 O -","- C33 H37 Li N4 O -","- C132 H148 Li4 N16 O4 -","4","1","","Antonio Otero; Juan Fernández-Baeza; Antonio Antiñolo; Juan Tejeda; Agustín Lara-Sánchez; Luis Sánchez-Barba; Ana M. Rodríguez; Miguel A. Maestro","An Unprecedented Hybrid Scorpionate/Cyclopentadienyl Ligand","Journal of the American Chemical Society","2004","126","","1330","1331","10.1021/ja0391558","","","0.71073","MoKα","","0.3313","0.0745","","","0.1333","0.1996","","","","","","0.902","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112225","12.017","0.005","14.236","0.006","12.309","0.005","90","","104.661","0.005","90","","2037.2","1.5","223.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H22 Cl N O4 -","- C23 H22 Cl N O4 -","- C92 H88 Cl4 N4 O16 -","4","1","","Shunichi Fukuzumi; Hiroaki Kotani; Kei Ohkubo; Seiji Ogo; Nikolai V. Tkachenko; Helge Lemmetyinen","Electron-Transfer State of 9-Mesityl-10-methylacridinium Ion with a Much Longer Lifetime and Higher Energy Than That of the Natural Photosynthetic Reaction Center","Journal of the American Chemical Society","2004","126","","1600","1601","10.1021/ja038656q","","","0.7107","MoKα","","","0.0617","","","","0.1687","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112339","12.3513","0.0005","5.7088","0.0002","15.6453","0.0006","90","","111.935","0.001","90","","1023.31","0.07","250","","250","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0485","0.0421","","","0.1202","0.1263","","","","","","1.084","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112340","12.3207","0.0005","5.691","0.0002","15.5735","0.0006","90","","111.954","0.001","90","","1012.78","0.07","200","","200","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0477","0.0421","","","0.1194","0.1244","","","","","","1.102","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112341","12.2735","0.0006","5.6572","0.0003","15.4399","0.0007","90","","112.04","0.001","90","","993.71","0.08","90","","90","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0421","0.0395","","","0.1035","0.1059","","","","","","1.079","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112342","12.2933","0.0007","5.6612","0.0003","15.4447","0.0009","90","","112.103","0.001","90","","995.88","0.1","90","","90","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.042","0.0393","","","0.1055","0.1081","","","","","","1.098","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112343","12.2763","0.0004","5.6575","0.0002","15.4419","0.0006","90","","112.037","0.001","90","","994.13","0.06","90","","90","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0433","0.04","","","0.108","0.1107","","","","","","1.097","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112344","12.217","0.003","5.7999","0.0013","15.261","0.004","90","","112.447","0.004","90","","999.4","0.4","335","","335","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0552","0.0474","","","0.1373","0.1459","","","","","","1.098","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112345","12.1902","0.0013","5.7856","0.0006","15.2364","0.0016","90","","112.426","0.002","90","","993.32","0.18","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.05","0.0428","","","0.1269","0.1336","","","","","","1.11","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112346","12.1387","0.0006","5.7622","0.0003","15.1592","0.0008","90","","112.458","0.001","90","","979.9","0.09","250","","250","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0446","0.0398","","","0.1104","0.1145","","","","","","1.091","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112347","12.0949","0.0006","5.7366","0.0003","15.0923","0.0008","90","","112.456","0.001","90","","967.76","0.09","200","","200","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0423","0.0389","","","0.1077","0.1105","","","","","","1.085","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112348","12.0635","0.0005","5.7161","0.0003","15.0384","0.0007","90","","112.454","0.001","90","","958.37","0.08","150","","150","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0413","0.0386","","","0.1035","0.1056","","","","","","1.069","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112349","12.0291","0.0007","5.693","0.0003","14.9738","0.0009","90","","112.464","0.001","90","","947.62","0.09","90","","90","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0349","0.0328","","","0.0871","0.0888","","","","","","1.073","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112350","12.0365","0.0009","5.6958","0.0004","14.979","0.0011","90","","112.462","0.001","90","","949.01","0.12","90","","90","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","azobenzene","(E)-1,2-diphenyldiazene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Jun Harada; Keiichiro Ogawa","X-ray Diffraction Analysis of Nonequilibrium States in Crystals: Observation of an Unstable Conformer in Flash-Cooled Crystals","Journal of the American Chemical Society","2004","126","","3539","3544","10.1021/ja038203l","","","0.71073","MoKα","","0.0358","0.0336","","","0.0896","0.0913","","","","","","1.073","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112382","17.2867","0.0002","9.2357","0.0002","17.8766","0.0004","90","","115.65","0.001","90","","2572.83","0.09","273.2","","142","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H39 Cl P2 Si W -","- C23 H39 Cl P2 Si W -","- C92 H156 Cl4 P8 Si4 W4 -","4","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","0.0847","0.0517","","0.0664","0.0599","0.0599","","","","","","1.626","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112720","14.662","0.005","14.817","0.006","16.08","0.005","90","","94.063","0.03","90","","3485","2","","","20","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H61 Br2 Ni2 P4 -","- C26 H61 Br2 Ni2 P4 -","- C104 H244 Br8 Ni8 P16 -","4","1","","David A. Vicic; Thomas J. Anderson; John A. Cowan; Arthur J. Schultz","Synthesis, Structure, and Reactivity of a Dinuclear Metal Complex with Linear M-H-M Bonding","Journal of the American Chemical Society","2004","126","","8132","8133","10.1021/ja047956k","","neutron","","neutron","","","","","","","","","","1.39","","","","","","","has coordinates,has Fobs","178898","2020-10-21","18:00:00",""
"4112761","19.745","0.0015","16.541","0.002","20.034","0.003","90","","91.675","0.006","90","","6540.3","1.4","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","C60Me5Ph5O3(OH)2","","- C104 H46 Cl1.5 O4 -","- C104 H46 Cl1.5 O4 -","- C416 H184 Cl6 O16 -","4","1","","Yutaka Matsuo; Kazukuni Tahara; Masaya Sawamura; Eiichi Nakamura","Creation of Hoop- and Bowl-Shaped Benzenoid Systems by Selective Detraction of [60]Fullerene Conjugation. [10]Cyclophenacene and Fused Corannulene Derivatives","Journal of the American Chemical Society","2004","126","","8725","8734","10.1021/ja048683w","","x-ray","0.71073","MoKα","","0.2426","0.1447","","","0.3653","0.4266","","","","","","1.265","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112844","27.261","0.001","12.783","0.0004","28.343","0.001","90","","108.92","0.002","90","","9343.3","0.6","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C86 H128 N6 P4 Si8 Zr2 -","- C86 H128 N6 P4 Si8 Zr2 -","- C344 H512 N24 P16 Si32 Zr8 -","4","1","","Lara Morello; Jason B. Love; Brian O. Patrick; Michael D. Fryzuk","Carbon-Nitrogen Bond Formation via the Reaction of Terminal Alkynes with a Dinuclear Side-on Dinitrogen Complex","Journal of the American Chemical Society","2004","126","","9480","9481","10.1021/ja049490b","","","0.71069","MoKα","","0.1087","0.0503","","","0.0888","0.1025","","","","","","0.877","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112849","14.136","0.002","7.047","0.003","15.439","0.003","90","","90.434","0.013","90","","1537.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Claude Spino; Hadi Rezaei; Kristina Dupont-Gaudet; Francis Bélanger","Inter- and Intramolecular [4 + 1]-Cycloadditions Between Electron-Poor Dienes and Electron-Rich Carbenes","Journal of the American Chemical Society","2004","126","","9926","9927","10.1021/ja046344x","","","1.54056","CuKa","","0.1388","0.0858","","","0.2172","0.2509","","","","","","0.961","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112956","9.8578","0.0002","8.8632","0.0002","19.536","0.002","90","","90.691","0.003","90","","1706.77","0.18","296.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H16 O3 S -","- C20 H16 O3 S -","- C80 H64 O12 S4 -","4","1","","Kenichiro Itami; Masahiro Mineno; Nobuhiro Muraoka; Jun-ichi Yoshida","Sequential Assembly Strategy for Tetrasubstituted Olefin Synthesis Using Vinyl 2-Pyrimidyl Sulfide as a Platform","Journal of the American Chemical Society","2004","126","","11778","11779","10.1021/ja045858t","","","0.7107","MoKα","","","0.115","","","","0.131","","","","","","2.593","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113057","12.3806","0.0011","17.1783","0.0016","14.0018","0.0013","90","","94.535