# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-11T12:30:46+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 1997 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
"1000046","5.593","0.006","3.645","0.004","22.45599","0.027","90","","96.97","0.02","90","","454.4","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Pentacalcium 16-oxodihydroxohexasilicate tetrahydrate","Clinotobermorite","- Ca5 H10 O22 Si6 -","- Ca5 H10 O19 Si6 -","- Ca5 H10 O19 Si6 -","1","0.125","","Hoffmann, C; Armbruster, T","Clinotobermorite, Ca5 (Si3 O8 (O H))2 . 4(H2 O) Ca5 (Si6 O17) . 5 (H2 O), a natural C-S-H(I) type cement mineral: determination of the substructure","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","863","873","","","","","","","0.0671","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:06",""
"1000058","4.4968","0.0002","4.4968","0.0002","3.1049","0.0001","90","","90","","90","","62.8","","","","","","","","","","","","Synthetic","2","P 42/m n m","","136","","Ruthenium(IV) oxide","","- O2 Ru -","- O2 Ru -","- O4 Ru2 -","2","0.125","","Bolzan A A; Fong C; Kennedy B J; Howard C J","Structural studies of rutile-type metal dioxides","Acta Crystallographica, Section B","1997","53","","373","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:20",""
"1000136","7.1362","0.0002","9.9084","0.0003","12.9414","0.0004","90","","90","","90","","915.1","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dipotassium tecto-titanotrisilicate hydrate","","- H2 K2 O10 Si3 Ti -","- H2 K2 O10 Si3 Ti -","- H8 K8 O40 Si12 Ti4 -","4","1","","Dadachov, M S; Le Bail, A","Structure of zeolitic K2 Ti Si3 O9 . (H2 O) determined ab initio from powder diffraction data","European Journal of Solid State Inorganic Chemistry","1997","34","","381","390","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000139","10.0626","0.0006","5.807","0.0001","4.9788","0.0003","90","","103.359","0.007","90","","283.1","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Barium gallium pentafluoride dihydrate","","- Ba F5 Ga H4 O2 -","- Ba F5 Ga H4 O2 -","- Ba2 F10 Ga2 H8 O4 -","2","0.5","","Jouanneaux, A; Le Bail, A","Structure of Ba Ga F5 . 2(H2 O) from conventional and synchrotron powder diffraction data","European Journal of Solid State Inorganic Chemistry","1997","34","","925","936","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000140","9.0652","0.0003","7.1468","0.0002","5.47","0.0002","90","","98.782","0.001","90","","350.2","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Disodium calcium bis(hydrogenphosphate(V))","","- Ca H2 Na2 O8 P2 -","- Ca H2 Na2 O8 P2 -","- Ca2 H4 Na4 O16 P4 -","2","1","","Ben Chaabane, T; Smiri-Dogguy, L; Laligant, Y; Le Bail, A","Structure of Na2 Ca (H P O4)2 determined ab initio from conventional powder diffraction data","European Journal of Solid State Inorganic Chemistry","1997","34","","937","946","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000430","5.207","0.001","12.216","0.001","7.037","0.001","90","","103","0.02","90","","436.1","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Strontium phosphatodifluoroferrate(III)","","- F2 Fe O4 P Sr -","- F2 Fe O4 P Sr -","- F8 Fe4 O16 P4 Sr4 -","4","1","","Le Meins, J-M; Hemon-Ribaud, A; Laligant, Y; Courbion, G","A new fluorophosphate with a laueite-type structural unit: synthesis, TEM study and crystal structure of Sr Fe P O4 F2","European Journal of Solid State Inorganic Chemistry","1997","34","","391","404","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000431","8.3125","0.0003","9.4055","0.0004","14.5768","0.0006","90","","102.231","0.002","90","","1113.8","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Diiron(III) tetravanadate(V)","","- Fe2 O13 V4 -","- Fe2 O13 V4 -","- Fe8 O52 V16 -","4","1","","Permer, L; Laligant, Y","Crystal structure of the tetrapolyvanadate Fe2 V4 O13","European Journal of Solid State Inorganic Chemistry","1997","34","","41","52","","","","","","","0.039","","","","","","","","","","","","","","","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",""
"1000441","7.848","0.002","19.86699","0.004","10.773","0.003","90","","90","","90","","1679.7","","","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","Distrontium pentfluoroferrate(III) aquapentafluoroferrate(III)","","- F10 Fe2 H2 O Sr2 -","- F10 Fe2 H2 O Sr2 -","- F80 Fe16 H16 O8 Sr16 -","8","","","Le Meins, J-M; Hemon-Ribaud, A; Courbion, G","Sr2 Fe2 F10 . (H2 O), the first hydrated strontium iron(III) fluoride","Acta Crystallographica C (39,1983-)","1997","53","","1165","1166","","","","","","","0.0772","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000442","4.8437","0.0002","8.33","0.0003","8.9547","0.0004","90","","90","","90","","361.3","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","Aluminium oxide - κ","","- Al2 O3 -","- Al2 O3 -","- Al16 O24 -","8","2","","Ollivier, Benoist; Retoux, Richard; Lacorre, Philippe; Massiot, Dominique; Férey, Gérard","Crystal structure of κ-alumina: an X-ray powder diffraction, TEM and NMR study","Journal of Materials Chemistry","1997","7","6","1049","1056","10.1039/a700054e","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1000443","15.326","0.001","15.326","0.001","15.326","0.001","90","","90","","90","","3599.9","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Oxonium triytterbium decafluoride hydrate","","- F10 H5 O2 Yb3 -","- F10 H5 O2 Yb3 -","- F160 H80 O32 Yb48 -","16","0.0833333","","Maguer, J-J; Crosnier-Lopez, M P; Courbion, G","""Chimie douce"" synthesis and ab initio structure determination of (H3 O) Yb3 F10 . (H2 O) : a diamond type stacking of U O A8","Journal of Solid State Chemistry","1997","128","","42","51","10.1006/jssc.1996.7145","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000444","15.339","0.001","15.339","0.001","15.339","0.001","90","","90","","90","","3609","0.4","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Potassium triytterbium decafluoride hydrate - $-delta","","- F10 H2 K O Yb3 -","- F10 H2 K O Yb3 -","- F160 H32 K16 O16 Yb48 -","16","0.0833333","","Maguer, J-J; Crosnier-Lopez, M P; Courbion, G","""Chimie douce"" synthesis and ab initio structure determination of (H3 O) Yb3 F10 . (H2 O) : a diamond type stacking of U O A8","Journal of Solid State Chemistry","1997","128","","42","51","10.1006/jssc.1996.7145","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000445","6.3385","0.0003","7.6191","0.0002","11.0298","0.0004","90","","90","","90","","532.7","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Diammonium catena-pentafluoroferrate(III) - $-beta","","- F5 Fe H8 N2 -","- F5 Fe H8 N2 -","- F20 Fe4 H32 N8 -","4","0.5","","Croguennec, L; Deniard, P; Brec, R; Couzi, M; Sourisseau, C; Fourquet, J L; Calage, Y","Structural and spectroscopic evidence for hydrogen bonding induced (N H4)(+) cation ordering in $-beta-(N H4)2 Fe F5 at low temperature","Journal of Solid State Chemistry","1997","131","","189","197","10.1006/jssc.1997.7269","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000446","6.3269","0.0005","7.6076","0.0002","10.9802","0.0009","90","","90","","90","","528.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Diammonium catena-pentafluoroferrate(III) - $-beta","","- F5 Fe H8 N2 -","- F5 Fe H14 N2 -","- F20 Fe4 H56 N8 -","4","0.5","","Croguennec, L; Deniard, P; Brec, R; Couzi, M; Sourisseau, C; Fourquet, J L; Calage, Y","Structural and spectroscopic evidence for hydrogen bonding induced (N H4)(+) cation ordering in $-beta-(N H4)2 Fe F5 at low temperature","Journal of Solid State Chemistry","1997","131","","189","197","10.1006/jssc.1997.7269","","","","","","0.013","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000447","7.602","0.001","5.766","0.001","8.788","0.001","90","","106.72","0.01","90","","368.9","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dibarium dinickel heptafluoride chloride","","- Ba2 Cl F7 Ni2 -","- Ba2 Cl F7 Ni2 -","- Ba4 Cl2 F14 Ni4 -","2","0.5","","Fompeyrine, J; Darriet, J; Maguer, J-J; Greneche, J M; Courbion, G; Roisnel, T; Rodriguez-Carvajal, J","Magnetic properties and neutron diffraction study of the chlorofluoride series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn)","Journal of Solid State Chemistry","1997","131","","198","214","10.1006/jssc.1997.7352","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000448","7.746","0.001","5.82","0.001","8.898","0.001","90","","106.63","0.01","90","","384.4","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dibarium manganese nickel heptafluoride chloride","","- Ba2 Cl F7 Mn Ni -","- Ba2 Cl F7 Mn Ni -","- Ba4 Cl2 F14 Mn2 Ni2 -","2","0.5","","Fompeyrine, J; Darriet, J; Maguer, J-J; Greneche, J M; Courbion, G; Roisnel, T; Rodriguez-Carvajal, J","Magnetic properties and neutron diffraction study of the chlorofluoride series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn)","Journal of Solid State Chemistry","1997","131","","198","214","10.1006/jssc.1997.7352","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000449","7.749","0.001","5.771","0.001","8.95","0.001","90","","106.8","0.01","90","","383.2","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dibarium iron cobalt heptafluoride chloride","","- Ba2 Cl Co F7 Fe -","- Ba2 Cl Co F7 Fe -","- Ba4 Cl2 Co2 F14 Fe2 -","2","0.5","","Fompeyrine, J; Darriet, J; Maguer, J-J; Greneche, J M; Courbion, G; Roisnel, T; Rodriguez-Carvajal, J","Magnetic properties and neutron diffraction study of the chlorofluoride series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn)","Journal of Solid State Chemistry","1997","131","","198","214","10.1006/jssc.1997.7352","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000450","9.942","0.002","11.024","0.003","7.147","0.002","90","","90","","90","","783.3","","","","","","","","","","","","","4","A m a 2","A 2 -2a","40","","Trisodium europium tricarbonate","","- C3 Eu Na3 O9 -","- C3 Eu Na3 O9 -","- C12 Eu4 Na12 O36 -","4","0.5","","Mercier, N; Leblanc, M; Antic-Fidancev, E; Lemaitre-Blaise, M","Structural and optical investigations of sodium europium carbonate Na3 Eu (C O3)3","Journal of Solid State Chemistry","1997","132","","33","40","10.1006/jssc.1997.7400","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000451","16.49699","0.001","8.6939","0.0005","11.5174","0.0006","90","","90","","90","","1651.9","","","","","","","","","","","","","5","P n n m","-P 2 2n","58","","Tetrabarium heptafluoropentaoxodimolybdate tris(hydrogendifluoride) hydrate","","- Ba4 F13 H5 Mo2 O6 -","- Ba4 F13 H10.5 Mo2 O6 -","- Ba16 F52 H42 Mo8 O24 -","4","0.5","","Fourquet, J L; Duroy, H; Crosnier-Lopez, M P","Synthesis and crystal structure of Ba4 Mo2 O5 F7 (H F2)3.H2 O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","439","443","10.1002/zaac.19976230170","","","","","","0.0295","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000458","8.674","0.001","10.19","0.002","16.82599","0.003","90","","94.21","0.02","90","","1483.2","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Trigallium tris(phosphate(V)) difluoride - 1,3-diaminopropane - oxonium (1/0.75/0.5)","","- C2.25 H10.5 F2 Ga3 N1.5 O12.5 P3 -","- C2.25 H10.503 F2 Ga3 N1.501 O12.5 P3 -","- C9 H42.012 F8 Ga12 N6.004 O50 P12 -","4","1","","Loiseau, T; Taulelle, F; Ferey, G","Crystal structure and solid-state nuclear magnetic resonance characterization of an oxyfluorinated three-dimensional framework gallophosphate with ULM-4 structural type. Structural relationships with (Ga As O4)-2","Microporous Materials","1997","9","","83","93","10.1016/S0927-6513(96)00094-6","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000474","9.0268","0.0003","9.0268","0.0003","13.684","0.002","90","","90","","120","","965.6","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Tetrapotassium digadolinium tricarbonate tetrafluoride","","- C3 F4 Gd2 K4 O9 -","- C3 F3.998 Gd2 K4 O9 -","- C9 F11.994 Gd6 K12 O27 -","3","0.166667","","Mercier, N; Leblanc, M; Durand, J","New frequency doubling compounds: K4 Ln2 (C O3)3 F4 (Ln = Pr, Nd, Sm, Gd, Eu); crystal structure and characterization","European Journal of Solid State Inorganic Chemistry","1997","34","","241","249","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001718","5.663","0.001","5.663","0.001","20.95499","0.003","90","","90","","120","","582","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Barium manganate(IV)","","- Ba Mn O3 -","- Ba Mn O3 -","- Ba9 Mn9 O27 -","9","0.25","","Boullay, P; Hervieu, M; Labbe, P; Raveau, B","Single crystal and HREM study of the ""Bi-Sr"" stabilized Ba Mn O3 9R polytype","Materials Research Bulletin","1997","32","","35","42","10.1016/S0025-5408(96)00169-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001764","3.8845","0.0003","3.8845","0.0003","9.5237","0.0009","90","","90","","90","","143.7","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (0.84/2/1.16/4.19)","","- Ba2 Cu1.16 Hg0.84 O4.19 -","- Ba2 Cu1.16 Hg0.84 O4.19 -","- Ba2 Cu1.16 Hg0.84 O4.19 -","1","0.0625","","Pelloquin, D; Hardy, V; Maignan, A; Raveau, B","Single crystals of the 96 K superconductor (Hg, Cu) Ba2 Cu O4+d: growth, structure and magnetism","Physica C (Amsterdam) (152,1988-)","1997","273","","205","212","10.1016/S0921-4534(96)00627-2","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001766","13.766","0.001","8.002","0.001","15.497","0.001","90","","98.34","0.01","90","","1689","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dipotassium catena-tungstodiphosphate","","- K2 O9 P2 W -","- K2 O9 P2 W -","- K16 O72 P16 W8 -","8","1","","Borel, M-M; Leclaire, A; Chardon, J; Michel, C; Raveau, B","New molybdeno- and tungstodiphosphates with the (N H4)2 Mo O2 P2 O7chain-like structure","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)","1997","324","","189","195","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001789","3.832","0.0001","3.832","0.0001","16.41119","0.0005","90","","90","","90","","241","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","Thallium chromium strontium copper carbonate nitrate oxide (0.85/0.15/4/2/0.5/0.5/7)","","- C0.5 Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85 -","- C0.5 Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85 -","- C0.5 Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85 -","1","0.0625","","Barnabe, A; Letouze, F; Pelloquin, D; Maignan, A; Hervieu, M; Raveau, B","A new superconducting oxycarbonitrate: (Tl5/6 Cr1/6) Sr4 Cu2 (C O3)1/2 (N O3)1/2 O7","Chemistry of Materials (1,1989-","1997","9","","2205","2211","10.1021/cm970370v","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001790","3.88416","0.00003","3.88416","0.00003","12.543","0.0002","90","","90","","90","","189.2","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium barium calcium praseodymium copper oxide (1/2/0.42/0.58/2/7)","","- Ba2 Ca0.424 Cu2 O7 Pr0.576 Tl -","- Ba2 Ca0.424 Cu2 O7 Pr0.576 Tl -","- Ba2 Ca0.424 Cu2 O7 Pr0.576 Tl -","1","0.0625","","Sundaresan, A; Michel, C; Raveau, B; Huong, P V","Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies","Chemistry of Materials (1,1989-","1997","9","","2212","2217","10.1021/cm970377c","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001791","3.85262","0.00004","3.85262","0.00004","12.2813","0.0002","90","","90","","90","","182.3","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","Thallium barium strontium calcium praseodymium copper oxide (0.96/1/1/0.43/0.57/2/6.98)","","- Ba Ca0.432 Cu2 O6.98 Pr0.568 Sr Tl0.964 -","- Ba Ca0.432 Cu2 O6.98 Pr0.568 Sr Tl0.964 -","- Ba Ca0.432 Cu2 O6.98 Pr0.568 Sr Tl0.964 -","1","0.0625","","Sundaresan, A; Michel, C; Raveau, B; Huong, P V","Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies","Chemistry of Materials (1,1989-","1997","9","","2212","2217","10.1021/cm970377c","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001792","3.8262","0.00008","3.8262","0.00008","12.1262","0.0003","90","","90","","90","","177.5","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium strontium calcium praseodymium copper oxide (0.94/2/0.48/0.52/2/6.96)","","- Ca0.48 Cu2 O6.96 Pr0.52 Sr2 Tl0.94 -","- Ca0.48 Cu2 O6.96 Pr0.52 Sr2 Tl0.94 -","- Ca0.48 Cu2 O6.96 Pr0.52 Sr2 Tl0.94 -","1","0.0625","","Sundaresan, A; Michel, C; Raveau, B; Huong, P V","Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies","Chemistry of Materials (1,1989-","1997","9","","2212","2217","10.1021/cm970377c","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001793","3.8246","0.0001","3.8246","0.0001","16.5069","0.0004","90","","90","","90","","241.5","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium strontium copper iron(III) carbonate oxide (0.85/4/1.85/0.30/1/7)","","- C Cu1.85 Fe0.3 O10 Sr4 Tl0.85 -","- C Cu1.85 Fe0.3 O10 Sr4 Tl0.85 -","- C Cu1.85 Fe0.3 O10 Sr4 Tl0.85 -","1","0.0625","","Letouze, F; Martin, C; Hervieu, M; Nguyen, N; Maignan, A; Michel, C; Raveau, B","Stabilisation of a thallium oxycarbonate by trivalent iron: Tl0.85 Sr4 Cu1.85 Fe0.30 (C O3) O7","European Journal of Solid State Inorganic Chemistry","1997","34","","983","990","","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001794","3.8687","0.0002","3.8687","0.0002","12.496","0.001","90","","90","","90","","187","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","Mercury vanadium barium strontium calcium copper oxide (0.69/0.31/1.95/0.05/1/2/7)","","- Ba1.95 Ca Cu2 Hg0.69 O7 Sr0.05 V0.31 -","- Ba1.95 Ca Cu2 Hg0.69 O7 Sr0.05 V0.31 -","- Ba1.95 Ca Cu2 Hg0.69 O7 Sr0.05 V0.31 -","1","0.0625","","Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B","Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d","European Journal of Solid State Inorganic Chemistry","1997","34","","1063","1074","","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001795","3.8643","0.0003","3.8643","0.0003","12.445","0.001","90","","90","","90","","185.8","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","Mercury vanadium barium strontium calcium copper oxide (0.67/0.33/1.70/0.30/1/2/7)","","- Ba1.7 Ca Cu2 Hg0.67 O7 Sr0.3 V0.33 -","- Ba1.7 Ca Cu2 Hg0.67 O7 Sr0.3 V0.33 -","- Ba1.7 Ca Cu2 Hg0.67 O7 Sr0.3 V0.33 -","1","0.0625","","Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B","Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d","European Journal of Solid State Inorganic Chemistry","1997","34","","1063","1074","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001796","3.8628","0.0003","3.8628","0.0003","12.407","0.001","90","","90","","90","","185.1","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","Mercury vanadium barium strontium calcium copper oxide (0.69/0.31/1.59/0.51/0.90/2/7)","","- Ba1.59 Ca0.9 Cu2 Hg0.69 O7 Sr0.51 V0.31 -","- Ba1.59 Ca0.9 Cu2 Hg0.69 O7 Sr0.51 V0.31 -","- Ba1.59 Ca0.9 Cu2 Hg0.69 O7 Sr0.51 V0.31 -","1","0.0625","","Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B","Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d","European Journal of Solid State Inorganic Chemistry","1997","34","","1063","1074","","","","","","","0.082","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001797","3.8601","0.0003","3.8601","0.0003","12.35","0.001","90","","90","","90","","184","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","Mercury vanadium barium strontium calcium copper oxide (0.69/0.31/1.33/0.80/0.87/2/7)","","- Ba1.33 Ca0.87 Cu2 Hg0.69 O7 Sr0.8 V0.31 -","- Ba1.33 Ca0.87 Cu2 Hg0.69 O7 Sr0.8 V0.31 -","- Ba1.33 Ca0.87 Cu2 Hg0.69 O7 Sr0.8 V0.31 -","1","0.0625","","Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B","Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d","European Journal of Solid State Inorganic Chemistry","1997","34","","1063","1074","","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001798","3.8575","0.0004","3.8575","0.0004","12.295","0.001","90","","90","","90","","183","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","Mercury vanadium barium strontium calcium copper oxide (0.69/0.31/1.13/1.07/0.80/2/7)","","- Ba1.13 Ca0.8 Cu2 Hg0.69 O7 Sr1.07 V0.31 -","- Ba1.13 Ca0.8 Cu2 Hg0.69 O7 Sr1.07 V0.31 -","- Ba1.13 Ca0.8 Cu2 Hg0.69 O7 Sr1.07 V0.31 -","1","0.0625","","Knizek, K; Malo, S; Michel, C; Maignan, A; Pollert, E; Raveau, B","Structural evolution and physical properties of the 1212 superconductor series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d","European Journal of Solid State Inorganic Chemistry","1997","34","","1063","1074","","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001799","5.026","0.001","5.078","0.001","5.867","0.001","90","","90","","91.47","0.01","149.7","","","","","","","","","","","","","3","P 1 1 2/b","-P 2b","13","","Cadmium tungstate","","- Cd O4 W -","- Cd O4 W -","- Cd2 O8 W2 -","2","0.5","","Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P","Vibrational and XRD study of the system Cd W O4 - Cd Mo O4","Journal of Physical Chemistry","1997","101","","4358","4369","10.1021/jp963008x","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001800","5.156","0.001","5.156","0.001","11.196","0.001","90","","90","","90","","297.6","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Cadmium molybdate","","- Cd Mo O4 -","- Cd Mo O4 -","- Cd4 Mo4 O16 -","4","0.25","","Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P","Vibrational and XRD study of the system Cd W O4 - Cd Mo O4","Journal of Physical Chemistry","1997","101","","4358","4369","10.1021/jp963008x","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001801","5.031","0.001","5.074","0.001","5.858","0.001","90","","90","","91.48","0.02","149.5","","","","","","","","","","","","","4","P 1 1 2/b","-P 2b","13","","Cadmium molybdenum tungsten oxide (1/0.25/0.75/4)","","- Cd Mo0.25 O4 W0.75 -","- Cd Mo0.25 O4 W0.75 -","- Cd2 Mo0.5 O8 W1.5 -","2","0.5","","Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P","Vibrational and XRD study of the system Cd W O4 - Cd Mo O4","Journal of Physical Chemistry","1997","101","","4358","4369","10.1021/jp963008x","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001802","5.158","0.001","5.158","0.001","11.187","0.001","90","","90","","90","","297.6","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Cadmium molybdenum tungsten oxide (1/0.75/0.25/4)","","- Cd Mo0.75 O4 W0.25 -","- Cd Mo0.75 O4 W0.25 -","- Cd4 Mo3 O16 W -","4","0.25","","Daturi, M; Busca, G; Borel, M M; Leclaire, A; Piaggio, P","Vibrational and XRD study of the system Cd W O4 - Cd Mo O4","Journal of Physical Chemistry","1997","101","","4358","4369","10.1021/jp963008x","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001803","3.7536","0.0002","30.631","0.002","9.219","0.001","90","","90","","90","","1060","","","","","","","","","","","","","5","A 2 m m","A -2 2","35","","Thallium barium strontium copper oxide (5/3/5/3/19)","","- Ba3 Cu3 O19 Sr5 Tl5 -","- Ba3 Cu3 O19 Sr5 Tl5 -","- Ba6 Cu6 O38 Sr10 Tl10 -","2","0.25","","Letouze, F; Martin, C; Hervieu, M; Michel, C; Maignan, A; Raveau, B","A new structure related to the layered cuprates: the ""1201"" shear-like phase Tl5 Ba3 Sr5 Cu3 O19, third member of the series (Tl A2 Cu O5)m . (Tl2 A2 O4)","Journal of Solid State Chemistry","1997","128","","150","155","10.1006/jssc.1996.7201","","","","","","0.097","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001804","7.827","0.001","12.538","0.001","7.833","0.001","90","","92.36","0.01","90","","768","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Molybdenum tungsten oxide phosphate(V) (1.04/0.96/3/2)","","- Mo1.04 O11 P2 W0.96 -","- Mo1.04 O11 P2 W0.96 -","- Mo4.16 O44 P8 W3.84 -","4","1","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","The molybdenotungsten monophosphate Mo W O3 (P O4)2 : an original three- dimensional framework built up of ""M P O8"" chains (M = Mo, W)","Journal of Solid State Chemistry","1997","128","","191","196","10.1006/jssc.1996.7182","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001805","8.142","0.001","6.361","0.001","7.728","0.001","90","","102.45","0.01","90","","390.8","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Lithium molybdenum tungsten oxide phosphate(V) (1/0.68/1.32/3/2)","","- Li Mo0.68 O11 P2 W1.32 -","- Li Mo0.68 O11 P2 W1.32 -","- Li2 Mo1.36 O22 P4 W2.64 -","2","0.25","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","A mixed valent molybdenotungsten monophosphate with an original intersecting tunnel structure: Li (Mo, W)2 O3 (P O4)2","Journal of Solid State Chemistry","1997","128","","215","219","10.1006/jssc.1996.7190","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001806","9.953","0.002","9.953","0.002","26.41299","0.004","90","","90","","90","","2616.5","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Caesium hexamolybdenum decaoxide dimolybdate tetrakis(phosphate(V))","","- Cs Mo8 O33 P4 -","- Cs Mo8 O33 P4 -","- Cs4 Mo32 O132 P16 -","4","0.25","","Hoareau, T; Leclaire, A; Borel, M M; Provost, J; Raveau, B","A mixed valent molybdenum monophosphate with an original cage structure Cs Mo6 O10 (Mo2 O7) (P O4)4","Journal of Solid State Chemistry","1997","128","","233","240","10.1006/jssc.1996.7195","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001807","15.668","0.001","8.135","0.001","17.74699","0.002","90","","107.994","0.007","90","","2151.4","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dilithium sodium bis(oxomolybdenum(V)) tris(phosphate(V))","","- Li2 Mo2 Na O14 P3 -","- Li2 Mo2 Na O14 P3 -","- Li16 Mo16 Na8 O112 P24 -","8","1","","Ledain, S; Leclaire, A; Borel, M M; Raveau, B","A Mo(V) monophosphate with an original tridimensional framework: Li2 Na (Mo O)2 (P O4)3","Journal of Solid State Chemistry","1997","129","","298","302","10.1006/jssc.1996.7255","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001808","10.0344","0.0009","14.43","0.001","8.1599","0.0005","90","","90.78","0.006","90","","1181.4","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tellurium molybdenum oxide (1/5/16)","","- Mo5 O16 Te -","- Mo5 O16 Te -","- Mo20 O64 Te4 -","4","1","","Vallar, S; Goreaud, M","Structure cristalline d'une forme monoclinique de Te Mo5 O16, oxyde a valence mixte conducteur bidimensionnel","Journal of Solid State Chemistry","1997","129","","303","307","10.1006/jssc.1996.7256","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001809","10.756","0.002","9.493","0.001","15.478","0.003","90","","108.99","0.02","90","","1494.4","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Rubidium molybdenum tungsten oxide phosphate(V) (2/1.98/1.02/5/3)","","- Mo1.983 O17 P3 Rb2 W1.017 -","- Mo1.983 O17 P3 Rb2 W1.017 -","- Mo7.932 O68 P12 Rb8 W4.068 -","4","1","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","Mixed valent molybdenotungsten monophosphate Rb2 Mo2 W O5 (P O4)3: an interconnected tunnel structure","Journal of Solid State Chemistry","1997","130","","48","53","10.1006/jssc.1997.7273","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001810","18.17299","0.002","18.17299","0.002","2.836","0.001","90","","90","","90","","936.6","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Barium manganese oxide (6.3/24/48)","","- Ba6.3 Mn24 O48 -","- Ba6.3 Mn24 O48 -","- Ba6.3 Mn24 O48 -","1","0.0625","","Boullay, Ph; Hervieu, M; Raveau, B","A new manganite with an original composite tunnel structure: Ba6 Mn24 O48","Journal of Solid State Chemistry","1997","132","","239","248","10.1006/jssc.1997.7412","","","","","","0.114","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001811","15.211","0.002","8.9093","0.0008","9.362","0.001","90","","115.99","0.01","90","","1140.4","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Trisodium tecto-dimolybdo(V)triphosphate(V)","","- Mo2 Na3 O14 P3 -","- Mo2 Na3.04 O14 P3 -","- Mo8 Na12.16 O56 P12 -","4","0.5","","Ledain, S; Leclaire, A; Borel, M M; Raveau, B","A sodium molybdenyl monophosphate with an intersecting tunnel structure: Na3 (Mo O)2 (P O4)3","Journal of Solid State Chemistry","1997","132","","249","256","10.1006/jssc.1997.7416","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001812","3.8445","0.0001","3.8445","0.0001","30.09799","0.001","90","","90","","90","","444.9","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Thallium mercury strontium barium iron oxide (1.4/0.47/2/1/2/8.75)","","- Ba Fe2 Hg0.467 O8.75 Sr2 Tl1.402 -","- Ba Fe2 Hg0.468 O8.752 Sr2 Tl1.402 -","- Ba2 Fe4 Hg0.936 O17.504 Sr4 Tl2.804 -","2","0.0625","","Nguyen, N; Groult, D; Boullay, P; Michel, C; Raveau, B","New mixed valent ferrites (Tl1.5 Hg0.5) Sr3-x Bax Fe2 O9-d (0<x<2) with the Tl-2212-type structure","Journal of Solid State Chemistry","1997","132","","308","314","10.1006/jssc.1997.7464","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001813","22.181","0.002","11.564","0.001","9.548","0.001","90","","90","","90","","2449.1","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dipotassium tecto-divanado(IV)tetraphosphate(V)","","- K2 O15 P4 V2 -","- K2 O15 P4 V2 -","- K16 O120 P32 V16 -","8","1","","Borel, M M; Leclaire, A; Chardon, J; Provost, J; Rebbah, H; Raveau, B","A V(IV) tetraphosphate with a tunnel structure K2 (V O)2 P4 O13","Journal of Solid State Chemistry","1997","132","","41","46","10.1006/jssc.1997.7404","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001814","5.3594","0.0001","5.3443","0.0001","30.976","0.004","90","","90","","90","","887.2","","","","","","","","","","","","","6","A b m m","-A 2b 2b","67","","Bismuth lead strontium calcium manganese oxide (1.5/0.5/1.53/1.47/2/9)","","- Bi1.5 Ca1.47 Mn2 O9 Pb0.5 Sr1.53 -","- Bi1.5 Ca1.47 Mn2 O9 Pb0.5 Sr1.53 -","- Bi6 Ca5.88 Mn8 O36 Pb2 Sr6.12 -","4","0.25","","Hervieu, M; Michel, C; Pelloquin, D; Maignan, A; Raveau, B","A bismuth manganite with the ""2212"" structure: Bi2-x Pbx Sr1.5 Ca1.5 Mn2 O9-d","Journal of Solid State Chemistry","1997","132","","420","431","10.1006/jssc.1997.7484","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001815","11.946","0.002","12.716","0.002","8.274","0.001","90.26","0.01","96.87","0.01","89.67","0.01","1247.8","","","","","","","","","","","","","4","P -1","-P 1","2","","Trilithium tecto-pentaoxotris(phosphato(V))trimolybdate","","- Li3 Mo3 O17 P3 -","- Li3 Mo3 O17 P3 -","- Li12 Mo12 O68 P12 -","4","2","","Ledain, S; Leclaire, A; Borel, M M; Provost, J; Raveau, B","A mixed valent molybdenum monophosphate with a bidimensional connection of Mo O6 octahedra : Li3 Mo3 O5 (P O4)3","Journal of Solid State Chemistry","1997","133","","391","399","10.1006/jssc.1997.7482","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001819","3.8523","0.0005","3.8523","0.0005","9.077","0.001","90","","90","","90","","134.7","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Mercury tetraoxovanadium barium strontium copper oxide (0.67/0.3/1/1/1/3.34)","","- Ba Cu Hg0.67 O4.66 Sr V0.33 -","- Ba Cu Hg0.67 O4.66 Sr V0.332 -","- Ba Cu Hg0.67 O4.66 Sr V0.332 -","1","0.0625","","Knížek, K.; Malo, S.; Michel, C.; Hervieu, M.; Maignan, A.; Raveau, B.","The 1201 superconductors Hg~1-y~(VO~4~)y(Ba, Sr)~2~CuO~4-2y+δ~: evidence for VO~4~ tetrahedra","Physica C: Superconductivity and Its Applications (Amsterdam, Netherlands)","1997","277","1-2","119","132","10.1016/S0921-4534(97)00020-8","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","200133","2020-10-21","18:00:00",""
"1001820","7.79","0.001","5.526","0.001","5.479","0.001","90","","90.78","","90","","235.8","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Lanthanum manganese oxide (.91/1/3)","","- La0.9125 Mn O3 -","- La0.9125 Mn O3 -","- La3.65 Mn4 O12 -","4","0.5","","Maignan, A.; Michel, C.; Hervieu, M.; Raveau, B.","A monoclinic manganite, La~0.9~MnO~3-δ~, with colossal magnetoresistance properties near room temperature","Solid State Communications","1997","101","4","277","281","10.1016/S0038-1098(96)00533-9","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","200124","2020-10-21","18:00:00",""
"1001822","3.7865","0.0001","15.854","0.0004","7.654","0.0002","90","","90","","90","","459.5","","","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Strontium manganese(III) boron oxide (4/3.2/0.8/10)","","- B0.8 Mn3.2 O10 Sr4 -","- B0.8 Mn3.2 O10 Sr4 -","- B1.6 Mn6.4 O20 Sr8 -","2","0.25","","Pelloquin, D; Hervieu, M; Michel, C; Nguyen, N; Raveau, B","A new manganese oxyborate, Sr4 Mn3 (B1-x Mnx) O10, closely related to the perovskite structure type","Journal of Solid State Chemistry","1997","134","","395","408","10.1006/jssc.1997.7612","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001823","5.5919","0.0002","5.6277","0.0002","7.914","0.0003","90","","90","0","90","","249","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dilanthanum magnesium platinate","","- La2 Mg O6 Pt -","- La2 Mg O6 Pt -","- La4 Mg2 O12 Pt2 -","2","0.5","","Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M","New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)","Materials Chemistry and Physics","1997","51","","117","124","10.1016/S0254-0584(97)80279-9","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001824","5.5741","0.0001","5.6304","0.0001","7.8973","0.0002","90","","90","0","90","","247.9","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dilanthanum nickel platinate","","- La2 Ni O6 Pt -","- La2 Ni O6 Pt -","- La4 Ni2 O12 Pt2 -","2","0.5","","Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M","New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)","Materials Chemistry and Physics","1997","51","","117","124","10.1016/S0254-0584(97)80279-9","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001825","5.5944","0.0001","5.6879","0.0001","7.9351","0.0001","90","","90","0","90","","252.5","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dilanthanum zinc platinate","","- La2 O6 Pt Zn -","- La2 O6 Pt Zn -","- La4 O12 Pt2 Zn2 -","2","0.5","","Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M","New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)","Materials Chemistry and Physics","1997","51","","117","124","10.1016/S0254-0584(97)80279-9","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001826","5.5722","0.0002","5.6459","0.0001","7.8906","0.0002","90","","90","0","90","","248.2","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dilanthanum cobalt platinate","","- Co La2 O6 Pt -","- Co La2 O6 Pt -","- Co2 La4 O12 Pt2 -","2","0.5","","Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M","New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)","Materials Chemistry and Physics","1997","51","","117","124","10.1016/S0254-0584(97)80279-9","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001827","5.4833","0.0001","5.7043","0.0001","7.7842","0.0001","90","","90","0","90","","243.5","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dipraseodymium cobalt platinate","","- Co O6 Pr2 Pt -","- Co O6 Pr2 Pt -","- Co2 O12 Pr4 Pt2 -","2","0.5","","Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M","New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)","Materials Chemistry and Physics","1997","51","","117","124","10.1016/S0254-0584(97)80279-9","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001828","5.4416","0.0001","5.6975","0.0001","7.7495","0.0001","90","","90","0","90","","240.3","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dineodymium cobalt platinate","","- Co Nd2 O6 Pt -","- Co Nd2 O6 Pt -","- Co2 Nd4 O12 Pt2 -","2","0.5","","Ouchetto, K; Archaimbault, F; Choisnet, J; Et-Tabirou, M","New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)","Materials Chemistry and Physics","1997","51","","117","124","10.1016/S0254-0584(97)80279-9","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001829","3.8577","0.0001","3.8577","0.0001","11.794","0.0003","90","","90","","90","","175.5","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium copper iron oxide (1/2/2.94/0.06/6.36)","","- Ba2 Cu2.94 Fe0.06 O6.36 Y -","- Ba2 Cu2.94 Fe0.06 O6.36 Y -","- Ba2 Cu2.94 Fe0.06 O6.36 Y -","1","0.0625","","Suard, E; Mirebeau, I; Caignaert, V; Imbert, P; Balagurov, A M","Influence of a deoxygenation process on the magnetic diagram of iron doped Y Ba2 Cu3 Oy phases: a neutron diffraction study","Physica C (Amsterdam) (152,1988-)","1997","288","","10","20","10.1016/S0921-4534(97)01465-2","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001830","3.8575","0.0001","3.8575","0.0001","11.8056","0.0003","90","","90","","90","","175.7","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium copper iron oxide (1/2/2.88/0.12/6.26)","","- Ba2 Cu2.88 Fe0.12 O6.26 Y -","- Ba2 Cu2.88 Fe0.12 O6.26 Y -","- Ba2 Cu2.88 Fe0.12 O6.26 Y -","1","0.0625","","Suard, E; Mirebeau, I; Caignaert, V; Imbert, P; Balagurov, A M","Influence of a deoxygenation process on the magnetic diagram of iron doped Y Ba2 Cu3 Oy phases: a neutron diffraction study","Physica C (Amsterdam) (152,1988-)","1997","288","","10","20","10.1016/S0921-4534(97)01465-2","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001831","3.8697","0.0001","3.8697","0.0001","11.8353","0.0004","90","","90","","90","","177.2","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium copper iron oxide (1/2/2.64/0.36/6.41)","","- Ba2 Cu2.64 Fe0.36 O6.41 Y -","- Ba2 Cu1.655 Fe0.345 O6.41 Y -","- Ba2 Cu1.655 Fe0.345 O6.41 Y -","1","0.0625","","Suard, E; Mirebeau, I; Caignaert, V; Imbert, P; Balagurov, A M","Influence of a deoxygenation process on the magnetic diagram of iron doped Y Ba2 Cu3 Oy phases: a neutron diffraction study","Physica C (Amsterdam) (152,1988-)","1997","288","","10","20","10.1016/S0921-4534(97)01465-2","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001832","3.8718","0.0001","3.8718","0.0001","11.8256","0.0004","90","","90","","90","","177.3","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium copper iron oxide (1/2/2.52/0.48/6.46)","","- Ba2 Cu2.52 Fe0.48 O6.46 Y -","- Ba2 Cu1.56 Fe0.44 O6.46 Y -","- Ba2 Cu1.56 Fe0.44 O6.46 Y -","1","0.0625","","Suard, E; Mirebeau, I; Caignaert, V; Imbert, P; Balagurov, A M","Influence of a deoxygenation process on the magnetic diagram of iron doped Y Ba2 Cu3 Oy phases: a neutron diffraction study","Physica C (Amsterdam) (152,1988-)","1997","288","","10","20","10.1016/S0921-4534(97)01465-2","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001833","6.758","0.001","6.339","0.001","7.054","0.001","90","","110.13","0.01","90","","283.7","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Molybdenum dioxide hydroxotrioxophosphate(V) hydrate","","- H3 Mo O7 P -","- H3 Mo O7 P -","- H6 Mo2 O14 P2 -","2","0.5","","Biot, C; Leclaire, A; Borel, M M; Raveau, B","Revised crystal structure of molybdenum hydroxymonophosphate, (Mo O2) . (H2 O) . (P (O3 O H))","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","792","794","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001834","6.3524","0.0007","6.3524","0.0007","4.0916","0.0005","90","","90","","90","","165.1","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Niobium tungsten oxide phosphate(V) (0.79/0.21/1/1) α-α'","","- Nb0.787 O5 P W0.213 -","- Nb0.787 O5 P W0.213 -","- Nb1.574 O10 P2 W0.426 -","2","0.125","","Leclaire, A.; Borel, M. M.; Raveau, B.; Mezaoui, D.","Combination of α-NbOPO~4 type layers with enantiomorphic α'-type layers: the ""racemic structure"" of α-α'-(Nb~0.787~W~0.213OPO~4~)","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","837","839","10.1524/zkri.1997.212.12.837","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","200077","2020-10-21","18:00:00",""
"1004121","8.836","0.003","10.865","0.006","11.052","0.005","65.18","0.04","74.12","0.04","71.57","0.03","901.3","","","","","","","","","","","","","5","P -1","-P 1","2","","Diammonium bis(hexaaquacobalt) decavanadate(V) tetrahydrate","","- Co2 H40 N2 O44 V10 -","- Co2 H40 N2 O44 V10 -","- Co2 H40 N2 O44 V10 -","1","0.5","","Baudrin, E; Denis, S; Touboul, M; Nowogorocki, G","Synthesis, crystal structure and thermal properties of (N H4)2 Co2 V10 O28 . 16(H2 O)","European Journal of Solid State Inorganic Chemistry","1997","34","","1011","1026","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","186518","2020-10-21","18:00:00",""
"1004122","11.0488","0.0001","11.0488","0.0001","11.0488","0.0001","90","","90","","90","","1348.8","","","","","","","","","","","","","3","I 21 3","I 2b 2c 3","199","","Bismuth gadolinium oxide (0.65/0.35/1.5)","","- Bi0.65 Gd0.35 O1.5 -","- Bi0.64975 Gd0.35025 O1.5 -","- Bi20.792 Gd11.208 O48 -","32","1.33333","","Drache, M; Conflant, P; Obbade, S; Wignacourt, J P; Watanabe, A","Stability, thermal behaviour, and crystal structure of ion ordered Bi1- x Lnx O1.5 phases (Ln = Sm - Dy)","Journal of Solid State Chemistry","1997","129","","98","104","10.1006/jssc.1996.7236","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004123","5.742","0.002","5.742","0.002","13.507","0.005","90","","90","","120","","385.7","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Lead iron vanadium oxide (1/1.75/4.25/11)","","- Fe1.75 O11 Pb V4.25 -","- Fe1.75 O11 Pb V4.25 -","- Fe3.5 O22 Pb2 V8.5 -","2","0.166667","","Mentre, O; Dhaussy, A-C; Abraham, F; Steinfink, H","Effect of iron substitution on the structural, electric, and magnetic properties in R-type Pb Fex V6-x O11, a frustrated system","Journal of Solid State Chemistry","1997","130","","223","233","10.1006/jssc.1997.7294","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004124","5.2099","0.0003","8.248","0.001","10.206","0.002","90","","90","","90","","438.6","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Thallium(I) triborate","","- B3 O5 Tl -","- B3 O5 Tl -","- B12 O20 Tl4 -","4","1","","Touboul, M; Betourne, E; Nowogrocki, G","Crystal structure of thallium triborate, Tl B3 O5","Journal of Solid State Chemistry","1997","131","","370","373","10.1006/jssc.1997.7399","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004125","5.93","0.004","9.079","0.01","11.473","0.006","90","","90","","90","","617.7","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dilead dioxophosphatobismuthate","","- Bi O6 P Pb2 -","- Bi O6 P Pb2 -","- Bi4 O24 P4 Pb8 -","4","0.5","","Mizrahi, A; Wignacourt, J-P; Steinfink, H","Pb2 Bi O2 P O4, a new oxyphosphate","Journal of Solid State Chemistry","1997","133","","516","521","10.1006/jssc.1997.7520","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005034","10.0565","0.0002","10.0565","0.0002","10.0565","0.0002","90","","90","","90","","1017","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Barium nickel sulfide (6/25/27)","","- Ba6 Ni25 S27 -","- Ba6 Ni25 S27 -","- Ba6 Ni25 S27 -","1","0.0208333","","Gelabert, M C; Ho, M H; Malik, A-S; DiSalvo, F J; Deniard, P; Brec, R","Structure and properties of Ba6 Ni25 S27","Chemistry - A European Journal","1997","3","11","1884","1889","10.1002/chem.19970031121","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005035","7.9979","0.0011","9.6273","0.0012","12.6441","0.0014","75.867","0.007","85.69","0.012","87.868","0.013","941.3","","","","","","","","","","","","","3","P -1","-P 1","2","","Nonabarium tetranitridoniobate nitride azide","","- Ba9 N12 Nb2 -","- Ba9 N12 Nb2 -","- Ba18 N24 Nb4 -","2","1","","Clarke, S J; DiSalvo, F J","Barium niobium nitride azide: Ba9 (NbN4)2 N (N3)","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","109","310","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005036","4.335","0.001","4.335","0.001","4.226","0.001","90","","90","","120","","68.8","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Cerium gold germanium (1/0.73/1.27)","","- Au0.73 Ce Ge1.27 -","- Au0.73 Ce Ge1.27 -","- Au0.73 Ce Ge1.27 -","1","0.0416667","","Jones, C D W; Gordon, R A; DiSalvo, F J; Poettgen, R; Kremer, R K","Magnetic Behaviour of Two AlB2-Related Germanides: CePd0.63Ge1.37 and CeAu0.75Ge1.25","Journal of Alloys Compd.","1997","260","","50","55","10.1016/S0925-8388(97)00159-X","","","","","","0.0301","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1005037","8.104","0.002","8.104","0.002","4.197","0.002","90","","90","","120","","238.7","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Cerium cobalt silicide (2/1/3)","","- Ce2 Co Si3 -","- Ce2 Co Si3 -","- Ce4 Co2 Si6 -","2","0.0833333","","Gordon, R A; Warren, C J; Alexander, M G; DiSalvo, F J; Poettgen, R","Substitution in Ce2 T Si3 intermetallic compositions with T = (Cr, Mn, Fe, Co, or Ni)x (Pd or Au)1-x","Journal of Alloys Compd.","1997","248","","24","32","10.1016/S0925-8388(96)02624-2","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005038","9.045","0.002","13.234","0.003","5.388","0.001","90","","90","","90","","645","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Strontium copper(I) nitride","","- Cu N Sr -","- Cu N Sr -","- Cu12 N12 Sr12 -","12","1.5","","DiSalvo, F J; Trail, S S; Yamane, H; Brese, N E","The crystal structure of Sr6 Cu3 N5 with isolated, bent (Cu(I)2 N3)(7-) anions and the single crystal structural determination of Sr Cu N","Journal of Alloys Compd.","1997","255","","122","129","10.1016/S0925-8388(96)02811-3","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005039","8.657","0.0012","8.657","0.0012","7.334","0.002","90","","90","","90","","549.6","","","","","","","","","","","","","3","P 42 m c","P 4c -2","105","","Hexastrontium trinitridodicuprate(I) dinitridocuprate(I)","","- Cu3 N5 Sr6 -","- Cu3 N5 Sr6 -","- Cu6 N10 Sr12 -","2","0.25","","DiSalvo, F J; Trail, S S; Yamane, H; Brese, N E","The crystal structure of Sr6 Cu3 N5 with isolated, bent (Cu(I)2 N3)(7-) anions and the single crystal structural determination of Sr Cu N","Journal of Alloys Compd.","1997","255","","122","129","10.1016/S0925-8388(96)02811-3","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005040","7.249","0.001","4.21","0.001","9.314","0.001","90","","108.87","0.01","90","","269","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dibarium germanide nitridogallate","","- Ba2 Ga Ge N -","- Ba2 Ga Ge N -","- Ba4 Ga2 Ge2 N2 -","2","0.5","","Clarke, S J; DiSalvo, F J","Synthesis and structure of the subnitrides Ba2 Ge Ga N and (Bax Sr1-x)3 Ge2 N2 ; x = 0.7","Journal of Alloys Compd.","1997","259","","158","162","10.1016/S0925-8388(97)00095-9","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005041","9.5109","0.0009","4.0201","0.0003","10.0412","0.0009","90","","113.06","0.01","90","","353.2","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Barium strontium germanide dinitridogermanate (2.35/0.65/1/1)","","- Ba2.35 Ge2 N2 Sr0.65 -","- Ba2.35 Ge2 N2 Sr0.65 -","- Ba4.7 Ge4 N4 Sr1.3 -","2","0.5","","Clarke, S J; DiSalvo, F J","Synthesis and structure of the subnitrides Ba2 Ge Ga N and (Bax Sr1-x)3 Ge2 N2 ; x = 0.7","Journal of Alloys Compd.","1997","259","","158","162","10.1016/S0925-8388(97)00095-9","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1005042","3.995","0.001","10.197","0.002","10.331","0.002","90","","90","","90","","420.9","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sodium pentanitridotantalo(IV)ditantalate","","- N5 Na Ta3 -","- N5 Na Ta3 -","- N20 Na4 Ta12 -","4","0.25","","Clarke, S J; DiSalvo, F J","A new conducting ternary nitride : Nax Ta3 N5 (0<x<1.4)","Journal of Solid State Chemistry","1997","132","","394","398","10.1006/jssc.1997.7481","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005055","10.367","0.001","10.367","0.001","5.814","0.001","90","","90","","120","","541.1","","","","","","","","","","","","","4","P 63","P 6c","173","","Hexalanthanum magnesium digermanium sulfide","","- Ge2 La6 Mg S14 -","- Ge2 La6 Mg S14 -","- Ge2 La6 Mg S14 -","1","0.166667","","Gitzendanner, R L; Spencer, C M; DiSalvo, F J; Pell, M A; Ibers, J A","Synthesis and structure of a new quaternary rare-earth sulfide, La6 Mg Ge2 S14, and the related compound La6 Mg Si2 S14","Journal of Solid State Chemistry","1997","131","","399","404","10.1006/jssc.1997.7421","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005056","10.363","0.002","10.363","0.002","5.742","0.001","90","","90","","120","","534","","","","","","","","","","","","","4","P 63","P 6c","173","","Hexalanthanum magnesium disilicon sulfide","","- La6 Mg S14 Si2 -","- La6 Mg S14 Si2 -","- La6 Mg S14 Si2 -","1","0.166667","","Gitzendanner, R L; Spencer, C M; DiSalvo, F J; Pell, M A; Ibers, J A","Synthesis and structure of a new quaternary rare-earth sulfide, La6 Mg Ge2 S14, and the related compound La6 Mg Si2 S14","Journal of Solid State Chemistry","1997","131","","399","404","10.1006/jssc.1997.7421","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006118","5.1709","0.0002","5.1709","0.0002","8.2817","0.0003","90","","90","","120","","191.8","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Terbium chromium germanide (1/6/5.99)","","- Cr6 Ge5.992 Tb -","- Cr6 Ge5.992 Tb -","- Cr6 Ge5.992 Tb -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Atomic disorder and canted ferrimagnetism in the Tb Cr6 Ge6 compound. A neutron study","Journal of Alloys Compd.","1997","255","","67","73","10.1016/S0925-8388(96)02872-1","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006119","5.1607","0.0007","5.1607","0.0007","8.2822","0.0009","90","","90","","120","","191","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Terbium chromium germanide (0.95/6/5.99)","","- Cr6 Ge5.992 Tb0.951 -","- Cr6 Ge5.992 Tb0.951 -","- Cr6 Ge5.992 Tb0.951 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Atomic disorder and canted ferrimagnetism in the Tb Cr6 Ge6 compound. A neutron study","Journal of Alloys Compd.","1997","255","","67","73","10.1016/S0925-8388(96)02872-1","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006120","5.1618","0.0004","5.1618","0.0004","8.2854","0.0006","90","","90","","120","","191.2","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Terbium chromium germanide (0.95/6/5.99)","","- Cr6 Ge5.992 Tb0.951 -","- Cr6 Ge5.992 Tb0.951 -","- Cr6 Ge5.992 Tb0.951 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Atomic disorder and canted ferrimagnetism in the Tb Cr6 Ge6 compound. A neutron study","Journal of Alloys Compd.","1997","255","","67","73","10.1016/S0925-8388(96)02872-1","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006121","5.1586","0.0004","5.1586","0.0004","8.2771","0.0007","90","","90","","120","","190.8","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Dysprosium chromium germanide (1/6/6)","","- Cr6 Dy Ge6 -","- Cr6 Dy Ge6 -","- Cr6 Dy Ge6 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Ferrimagnetism and disorder in the R Cr6 Ge6 compounds (R = Dy, Ho,Er, Y): a neutron study","Journal of Alloys Compd.","1997","256","","92","96","10.1016/S0925-8388(96)03109-X","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006122","5.1588","0.0006","5.1588","0.0006","8.2773","0.0009","90","","90","","120","","190.8","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Dysprosium chromium germanide (1/6/6)","","- Cr6 Dy Ge6 -","- Cr6 Dy Ge6 -","- Cr6 Dy Ge6 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Ferrimagnetism and disorder in the R Cr6 Ge6 compounds (R = Dy, Ho,Er, Y): a neutron study","Journal of Alloys Compd.","1997","256","","92","96","10.1016/S0925-8388(96)03109-X","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006123","5.1495","0.0005","5.1495","0.0005","8.2639","0.0007","90","","90","","120","","189.8","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Erbium chromium germanide (1/6/6)","","- Cr6 Er Ge6 -","- Cr6 Er Ge6 -","- Cr6 Er Ge6 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Ferrimagnetism and disorder in the R Cr6 Ge6 compounds (R = Dy, Ho,Er, Y): a neutron study","Journal of Alloys Compd.","1997","256","","92","96","10.1016/S0925-8388(96)03109-X","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006124","5.1474","0.0007","5.1474","0.0007","8.2617","0.0009","90","","90","","120","","189.6","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Erbium chromium germanide (1/6/6)","","- Cr6 Er Ge6 -","- Cr6 Er Ge6 -","- Cr6 Er Ge6 -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Ferrimagnetism and disorder in the R Cr6 Ge6 compounds (R = Dy, Ho,Er, Y): a neutron study","Journal of Alloys Compd.","1997","256","","92","96","10.1016/S0925-8388(96)03109-X","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006125","5.149","0.001","5.149","0.001","8.262","0.002","90","","90","","120","","189.7","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Holmium chromium germanide (1/6/6)","","- Cr6 Ge6 Ho -","- Cr6 Ge6 Ho -","- Cr6 Ge6 Ho -","1","0.0416667","","Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Buschow, K H J","Ferrimagnetism and disorder in the R Cr6 Ge6 compounds (R = Dy, Ho,Er, Y): a neutron study","Journal of Alloys Compd.","1997","256","","92","96","10.1016/S0925-8388(96)03109-X","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006126","8.0991","0.0001","26.5293","0.0009","5.10721","0.00001","90","","90","","90","","1097.4","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Erbium iron germanide (1/6/6)","","- Er Fe6 Ge6 -","- Er Fe6 Ge5.97333 -","- Er6 Fe36 Ge35.84 -","6","0.375","","Oleksyn, O; Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Brueck, E; Buschow, K H J","Crystal structure and magnetic ordering in Er Fe6 Ge6 studied by X-ray, neutron diffraction and magnetic measurements","Journal of Alloys Compd.","1997","257","","36","45","10.1016/S0925-8388(96)03125-8","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006127","8.1008","0.0001","26.53181","0.00002","5.10768","0.00001","90","","90","","90","","1097.8","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Erbium iron germanide (1/6/6)","","- Er Fe6 Ge6 -","- Er Fe6 Ge6 -","- Er6 Fe36 Ge36 -","6","0.375","","Oleksyn, O; Schobinger-Papamantellos, P; Rodriguez-Carvajal, J; Brueck, E; Buschow, K H J","Crystal structure and magnetic ordering in Er Fe6 Ge6 studied by X-ray, neutron diffraction and magnetic measurements","Journal of Alloys Compd.","1997","257","","36","45","10.1016/S0925-8388(96)03125-8","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006128","5.5351","0.0004","5.5187","0.0003","7.7903","0.0004","90","","90","","90","","238","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Lanthanum strontium manganese oxide (0.88/0.12/1/3) - O""","","- La0.875 Mn O3 Sr0.125 -","- La0.875 Mn O3 Sr0.125 -","- La3.5 Mn4 O12 Sr0.5 -","4","0.5","","Pinsard, L; Rodriguez-Carvajal, J; Revcolevschi, A","Structural phase diagram of La1-x Srx Mn O3 for low Sr doping","Journal of Alloys Compd.","1997","262","","152","156","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006129","5.5489","0.0004","5.5598","0.0004","7.7375","0.0004","90","","90","","90","","238.7","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Lanthanum strontium manganese oxide (0.88/0.12/1/3) - O'","","- La0.875 Mn O3 Sr0.125 -","- La0.875 Mn O3 Sr0.125 -","- La3.5 Mn4 O12 Sr0.5 -","4","0.5","","Pinsard, L; Rodriguez-Carvajal, J; Revcolevschi, A","Structural phase diagram of La1-x Srx Mn O3 for low Sr doping","Journal of Alloys Compd.","1997","262","","152","156","","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006130","5.5448","0.0002","5.5258","0.0002","7.7927","0.0003","90","","90","","90","","238.8","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Lanthanum strontium manganese oxide (0.88/0.12/1/3) - O","","- La0.875 Mn O3 Sr0.125 -","- La0.875 Mn O3 Sr0.125 -","- La3.5 Mn4 O12 Sr0.5 -","4","0.5","","Pinsard, L; Rodriguez-Carvajal, J; Revcolevschi, A","Structural phase diagram of La1-x Srx Mn O3 for low Sr doping","Journal of Alloys Compd.","1997","262","","152","156","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006131","5.4324","0.0004","5.5277","0.0004","12.488","0.001","90","","90","","90","","375","","","","","","","","","","","","","3","B m a b","-B 2ab 2","64","","Dilanthanum niccolate","","- La2 Ni O4 -","- La2 Ni O4 -","- La8 Ni4 O16 -","4","","","Medarde, M.; Rodriguez-Carvajal, J.","Oxygen vacancy ordering in La~2-x~Sr~x~NiO~4-δ~ (0 <= x <= 0.5): the crystal structure and defects investigated by neutron diffraction","Zeitschrift für Physik B: Condensed Matter","1997","102","3","307","315","10.1007/s002570050293","","","","","","0.0133","","","","","","","","","","","","","","","has coordinates","200099","2020-10-21","18:00:00",""
"1006132","5.4325","0.0004","5.5148","0.0004","12.523","0.001","90","","90","","90","","375.2","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum strontium niccolate (0.97/0.03/1)","","- La1.97 Ni O4 Sr0.03 -","- La1.97 Ni O4 Sr0.03 -","- La7.88 Ni4 O16 Sr0.12 -","4","","","Medarde, M.; Rodriguez-Carvajal, J.","Oxygen vacancy ordering in La~2-x~Sr~x~NiO~4-δ~ (0 <= x <= 0.5): the crystal structure and defects investigated by neutron diffraction","Zeitschrift für Physik B: Condensed Matter","1997","102","3","307","315","10.1007/s002570050293","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","200099","2020-10-21","18:00:00",""
"1006133","5.4332","0.0004","5.4994","0.0004","12.5734","0.0006","90","","90","","90","","375.7","","","","","","","","","","","","","4","B m a b","-B 2ab 2","64","","Lanthanum strontium nickel oxide (1.94/0.06/1/3.9)","","- La1.94 Ni O3.94 Sr0.06 -","- La1.94 Ni O3.94 Sr0.06 -","- La7.76 Ni4 O15.76 Sr0.24 -","4","","","Medarde, M.; Rodriguez-Carvajal, J.","Oxygen vacancy ordering in La~2-x~Sr~x~NiO~4-δ~ (0 <= x <= 0.5): the crystal structure and defects investigated by neutron diffraction","Zeitschrift für Physik B: Condensed Matter","1997","102","3","307","315","10.1007/s002570050293","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","200099","2020-10-21","18:00:00",""
"1006134","5.4402","0.0001","5.4764","0.0001","12.591","0.0002","90","","90","","90","0","375.1","","","","","","","","","","","","","4","B 1 1 2/n","-B 2ab","15","","Lanthanum strontium nickel oxide (1.9/0.1/1/2.9)","","- La1.9 Ni O2.9 Sr0.1 -","- La1.9 Ni O2.9 Sr0.1 -","- La7.6 Ni4 O11.6 Sr0.4 -","4","0.5","","Medarde, M.; Rodriguez-Carvajal, J.","Oxygen vacancy ordering in La~2-x~Sr~x~NiO~4-δ~ (0 <= x <= 0.5): the crystal structure and defects investigated by neutron diffraction","Zeitschrift für Physik B: Condensed Matter","1997","102","3","307","315","10.1007/s002570050293","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","200099","2020-10-21","18:00:00",""
"1006135","3.8199","0.0003","3.8536","0.0003","12.5887","0.0008","90","","90","","90","","185.3","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Lanthanum strontium nickel oxide (1.85/0.15/1/2.22)","","- La1.85 Ni O2.219 Sr0.15 -","- La1.85 Ni O2.219 Sr0.15 -","- La3.7 Ni2 O4.438 Sr0.3 -","2","0.125","","Medarde, M.; Rodriguez-Carvajal, J.","Oxygen vacancy ordering in La~2-x~Sr~x~NiO~4-δ~ (0 <= x <= 0.5): the crystal structure and defects investigated by neutron diffraction","Zeitschrift für Physik B: Condensed Matter","1997","102","3","307","315","10.1007/s002570050293","","","","","","0.0504","","","","","","","","","","","","","","","has coordinates","200099","2020-10-21","18:00:00",""
"1006136","3.797","0.0003","3.8545","0.0003","12.6148","0.0008","90","","90","","90","","184.6","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Lanthanum strontium nickel oxide (1.8/0.2/1/2.2)","","- La1.8 Ni O2.212 Sr0.2 -","- La1.8 Ni O2.212 Sr0.2 -","- La3.6 Ni2 O4.424 Sr0.4 -","2","0.125","","Medarde, M.; Rodriguez-Carvajal, J.","Oxygen vacancy ordering in La~2-x~Sr~x~NiO~4-δ~ (0 <= x <= 0.5): the crystal structure and defects investigated by neutron diffraction","Zeitschrift für Physik B: Condensed Matter","1997","102","3","307","315","10.1007/s002570050293","","","","","","0.0622","","","","","","","","","","","","","","","has coordinates","200099","2020-10-21","18:00:00",""
"1006137","3.7797","0.0005","3.8549","0.0005","12.657","0.001","90","","90","","90","","184.4","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Lanthanum strontium nickel oxide (1.75/0.25/1/2.2)","","- La1.75 Ni O2.212 Sr0.25 -","- La1.75 Ni O2.209 Sr0.25 -","- La3.5 Ni2 O4.418 Sr0.5 -","2","0.125","","Medarde, M.; Rodriguez-Carvajal, J.","Oxygen vacancy ordering in La~2-x~Sr~x~NiO~4-δ~ (0 <= x <= 0.5): the crystal structure and defects investigated by neutron diffraction","Zeitschrift für Physik B: Condensed Matter","1997","102","3","307","315","10.1007/s002570050293","","","","","","0.0625","","","","","","","","","","","","","","","has coordinates","200099","2020-10-21","18:00:00",""
"1006138","3.7605","0.0003","3.86","0.0002","12.6607","0.0008","90","","90","","90","","183.8","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Lanthanum strontium nickel oxide (1.5/0.5/1/2.2)","","- La1.5 Ni O2.198 Sr0.5 -","- La1.5 Ni O2.198 Sr0.5 -","- La3 Ni2 O4.396 Sr -","2","0.125","","Medarde, M.; Rodriguez-Carvajal, J.","Oxygen vacancy ordering in La~2-x~Sr~x~NiO~4-δ~ (0 <= x <= 0.5): the crystal structure and defects investigated by neutron diffraction","Zeitschrift für Physik B: Condensed Matter","1997","102","3","307","315","10.1007/s002570050293","","","","","","0.0389","","","","","","","","","","","","","","","has coordinates","200099","2020-10-21","18:00:00",""
"1008743","10.855","0.002","8.715","0.002","10.998","0.002","90.6","0.03","96.49","0.03","90.17","0.03","1033.7","","","","","","","","","","","","","3","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","Pentacalcium trigermanate","","- Ca5 Ge3 O11 -","- Ca5 Ge3 O11 -","- Ca20 Ge12 O44 -","4","","","Barbier, J; Levy, D","Crystal structures of Ca5 Ge3 O11 and wollastonite-type Ga Ge O3","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","519","528","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008744","7.2686","0.0015","7.5262","0.0015","8.094","0.002","103.44","0.03","94.42","0.03","90.11","0.03","429.3","","","","","","","","","","","","","3","P -1","-P 1","2","","Calcium germanate","","- Ca Ge O3 -","- Ca Ge O3 -","- Ca6 Ge6 O18 -","6","3","","Barbier, J; Levy, D","Crystal structures of Ca5 Ge3 O11 and wollastonite-type Ga Ge O3","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","519","528","","","","","","","0.0686","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008797","11.882","0.002","11.882","0.002","3.599","0.001","90","","90","","120","","440","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Iron rhodium phosphide (0.98/1.02/1)","","- Fe0.977 P Rh1.023 -","- Fe0.9775 P Rh1.0225 -","- Fe11.73 P12 Rh12.27 -","12","1","","Artigas, M; Fruchart, R; Bacmann, M; Fruchart, D; Wolfers, P","Synthesis and stuctural characterisation of a new allotropic type of Fe Rh P","European Journal of Solid State Inorganic Chemistry","1997","34","","991","1010","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008798","8.5","","8.5","","4.777","","90","","90","","90","","345.1","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Holmium iron titanium deuteride (1/11.28/0.72/0.7)","","- D0.7 Fe11.28 Ho Ti0.72 -","- D0.7 Fe11.28 Ho Ti0.72 -","- D1.4 Fe22.56 Ho2 Ti1.44 -","2","0.0625","","Apostolov, A; Bezdushnyi, R; Stanev, N; Damianova, R; Fruchart, D; Isnard, O; Soubeyroux, J L","Neutron diffraction study of Ho Fe11 Ti Dx deuterides","Journal of Alloys Compd.","1997","253","","318","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008799","5.368","0.001","5.368","0.001","8.797","0.003","90","","90","","120","","219.5","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium chromium nickel deuteride (1/1.79/0.21/3.38)","","- Cr1.794 D3.38 Ni0.206 Zr -","- Cr1.794 D3.378 Ni0.206 Zr -","- Cr7.176 D13.512 Ni0.824 Zr4 -","4","0.166667","","Bououdina, M; Soubeyroux, J L; Fruchart, D; de Rango, P","Structural studies of Laves phases Zr (Cr1-x Nix)2 with 0 < x < 0.4 and their hydrides","Journal of Alloys Compd.","1997","257","","82","90","10.1016/S0925-8388(97)00028-5","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008800","5.343","0.001","5.343","0.001","8.747","0.003","90","","90","","120","","216.3","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium chromium nickel deuteride (1/1.455/0.545/3.384)","","- Cr1.454 D3.384 Ni0.546 Zr -","- Cr1.455 D3.384 Ni0.545 Zr -","- Cr5.82 D13.536 Ni2.18 Zr4 -","4","0.166667","","Bououdina, M; Soubeyroux, J L; Fruchart, D; de Rango, P","Structural studies of Laves phases Zr (Cr1-x Nix)2 with 0 < x < 0.4 and their hydrides","Journal of Alloys Compd.","1997","257","","82","90","10.1016/S0925-8388(97)00028-5","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008801","5.343","0.002","5.343","0.002","8.75","0.003","90","","90","","120","","216.3","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium chromium nickel deuteride (1/1.244/0.756/3.3)","","- Cr1.244 D3.3 Ni0.756 Zr -","- Cr1.244 D3.3 Ni0.756 Zr -","- Cr4.976 D13.2 Ni3.024 Zr4 -","4","0.166667","","Bououdina, M; Soubeyroux, J L; Fruchart, D; de Rango, P","Structural studies of Laves phases Zr (Cr1-x Nix)2 with 0 < x < 0.4 and their hydrides","Journal of Alloys Compd.","1997","257","","82","90","10.1016/S0925-8388(97)00028-5","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008805","8.553","0.005","12.849","0.005","5.392","0.002","91.08","0.02","88.61","0.04","89.68","0.04","592.3","","","","","","","","","","","","","3","P -1","-P 1","2","","Disamarium disilicate","","- O7 Si2 Sm2 -","- O7 Si2 Sm2 -","- O28 Si8 Sm8 -","4","2","","Norlund Christensen, A; Frost Jensen, A; Kruse Themsen, B; Gronbaek Hazell, R; Hanfland, M; Dooryhee, E","Structure investigations of the high-temperature phases of La2 Si2 O7, Gd2 Si2 O7 and Sm2 Si2 O7","Acta Chemica Scandinavica (43,1989-)","1997","51","","1178","1185","10.3891/acta.chem.scand.51-1178","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008806","5.1147","0.0002","8.8258","0.0004","9.6627","0.0004","73.323","0.003","86.173","0.003","86.33","0.003","416.4","","","","","","","","","","","","","4","P -1","-P 1","2","","Dititanium oxide bis(phosphate(V)) dihydrate","","- H4 O11 P2 Ti2 -","- H8 O11 P2 Ti2 -","- H16 O22 P4 Ti4 -","2","1","","Salvado, M A; Pertierra, P; Garcia-Granda, S; Garcia, J R; Fernandez-Diaz, M T; Dooryhee, E","Crystal structure, including H-atom positions, of Ti2 O (P O4)2 (H2 O)2 determined from synchrotron X-ray and neutron powder data","European Journal of Solid State Inorganic Chemistry","1997","34","","1237","1247","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008807","12.555","0.002","6.258","0.002","10.554","0.002","90","","90","","90","","829.2","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Sodium potassium oxotitanium phosphate(V) (0.99/0.01/1/1)","","- K0.008 Na0.992 O5 P Ti -","- K0.008 Na0.992 O5 P Ti -","- K0.064 Na7.936 O40 P8 Ti8 -","8","2","","Dahaoui, S; Hansen, N K; Menaert, B","Na Ti O P O4 and K Ti O P O4 at 110 K","Acta Crystallographica C (39,1983-)","1997","53","","1173","1176","","","","","","","0.013","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008809","10.193","0.002","5.941","0.001","24.2","0.005","90","","90","","90","","1465.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cobalt magnesium germanium oxide (14.86/9.14/8/40)","","- Co14.86 Ge8 Mg9.14 O40 -","- Co14.86 Ge8 Mg9.14 O40 -","- Co29.72 Ge16 Mg18.28 O80 -","2","0.25","","Levy, D; Barbier, J","A new structural family: M10n-2 Ge3n+1 O16n with M = (Co, Mg) and (Ni, Mg)","Journal of Solid State Chemistry","1997","130","","9","19","10.1006/jssc.1997.7252","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008810","14.537","0.002","10.219","0.002","5.95","0.001","90","","90","","90","","883.9","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Cobalt magnesium germanium oxide (7.25/6.75/5/24)","","- Co7.25 Ge5 Mg6.75 O24 -","- Co7.254 Ge5 Mg6.746 O24 -","- Co14.508 Ge10 Mg13.492 O48 -","2","0.25","","Levy, D; Barbier, J","A new structural family: M10n-2 Ge3n+1 O16n with M = (Co, Mg) and (Ni, Mg)","Journal of Solid State Chemistry","1997","130","","9","19","10.1006/jssc.1997.7252","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008811","14.446","0.003","10.174","0.002","5.917","0.001","90","","90","","90","","869.6","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Trinickel undecamagnesium pentagermanium oxide","","- Ge5 Mg11 Ni3 O24 -","- Ge5 Mg10.996 Ni3.004 O24 -","- Ge10 Mg21.992 Ni6.008 O48 -","2","0.25","","Levy, D; Barbier, J","A new structural family: M10n-2 Ge3n+1 O16n with M = (Co, Mg) and (Ni, Mg)","Journal of Solid State Chemistry","1997","130","","9","19","10.1006/jssc.1997.7252","","","","","","0.103","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008814","3.8298","0.0005","3.842","0.0005","12.111","0.001","90","","90","","90","","178.2","","","","","","","","","","","","","6","P m m m","-P 2 2","47","","Gold barium yttrium calcium copper oxide (1/2/0.7/0.3/2/7)","","- Au Ba2 Ca0.3 Cu2 O7 Y0.7 -","- Au Ba2 Ca0.3 Cu2 O7 Y0.7 -","- Au Ba2 Ca0.3 Cu2 O7 Y0.7 -","1","0.125","","Bordet, P; LeFloch, S; Chaillout, C; Duc, F; Gorius, M F; Perroux, M; Capponi, J J; Toulemonde, P; Tholence, J L","Au Ba2 (Y(1-x) Ca(x)) Cu2 O7: a new superconducting gold cuprate with Tc above 80 K","Physica C (Amsterdam) (152,1988-)","1997","276","","237","244","10.1016/S0921-4534(97)00031-2","","","","","","0.0491","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008815","5.948","0.0002","6.0951","0.0002","8.4854","0.0003","90","","90.063","0.006","90","","307.6","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Strontium bismuth trioxide","","- Bi O3 Sr -","- Bi O3 Sr -","- Bi4 O12 Sr4 -","4","1","","Kazakov, S M; Chaillout, C; Bordet, P; Capponi, J J; Nunez-Regueiro, M; Rysak, A; Tholence, J L; Radaelli, P G; Putilin, S N; Antipov, E V","Discovery of a second family of bismuth-oxide-based superconductors","Nature (London)","1997","390","","148","150","10.1038/36529","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008816","5.9416","0.0002","5.9416","0.0002","8.4394","0.0004","90","","90","","90","","297.9","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Strontium potassium bismuth oxide (0.44/0.56/1/3)","","- Bi K0.56 O3 Sr0.44 -","- Bi K0.56 O3 Sr0.44 -","- Bi4 K2.24 O12 Sr1.76 -","4","0.125","","Kazakov, S M; Chaillout, C; Bordet, P; Capponi, J J; Nunez-Regueiro, M; Rysak, A; Tholence, J L; Radaelli, P G; Putilin, S N; Antipov, E V","Discovery of a second family of bismuth-oxide-based superconductors","Nature (London)","1997","390","","148","150","10.1038/36529","","","","","","0.082","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008817","3.8986","0.0002","3.8986","0.0002","9.2466","0.0006","90","","90","","90","","140.5","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide sulfate(VI) (0.88/2/1/4.15/0.18)","","- Ba2 Cu Hg0.88 O4.87 S0.18 -","- Ba2 Cu Hg0.88 O4.87 S0.18 -","- Ba2 Cu Hg0.88 O4.87 S0.18 -","1","0.0625","","Bordet, P; Loureiro, S; LeFloch, S; Capponi, J J; Chaillout, C; Chenavas, J; Tholence, J L; Antipov, E V; Radaelli, P G; Marezio, M","High pressure synthesis and structure of the superconducting mercury cuprates (Hg(1-x) M(x)) Ba2 Ca(n-1) Cu(n) O(2+2n+d) with M= C, S","Physica C (Amsterdam) (152,1988-)","1997","282","","65","68","","","","","","","0.013","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008818","3.8298","0.0005","3.842","0.0005","12.111","0.001","90","","90","","90","","178.2","","","","","","","","","","","","","6","P m m m","-P 2 2","47","","Gold barium yttrium calcium copper oxide (1/2/0.7/0.3/2/7)","","- Au Ba2 Ca0.3 Cu2 O7 Y0.7 -","- Au Ba2 Ca0.3 Cu2 O7 Y0.7 -","- Au Ba2 Ca0.3 Cu2 O7 Y0.7 -","1","0.125","","Bordet, P; Chaillout, C; Gautier, E; Gorius, M F; Le Floch, S; Perroux, M; Capponi, J J; Toulemonde, P; Tholence, J L","Au-1212 : a new superconducting gold cuprate with Tc above 80 K","Physica C (Amsterdam) (152,1988-)","1997","282","","951","952","","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008819","3.8816","0.0001","3.8816","0.0001","9.5163","0.0003","90","","90","","90","","143.4","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (1/2/1/4.34)","","- Ba2 Cu Hg O4.34 -","- Ba2 Cu Hg O4.34 -","- Ba2 Cu Hg O4.34 -","1","0.0625","","Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J.","Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~","Superconductor Science and Technology","1997","10","8","598","604","10.1088/0953-2048/10/8/013","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","206899","2020-10-21","18:00:00",""
"1008820","3.8792","0.0001","3.8792","0.0001","9.5117","0.0002","90","","90","","90","","143.1","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (1/2/1/4.27)","","- Ba2 Cu Hg O4.27 -","- Ba2 Cu Hg O4.27 -","- Ba2 Cu Hg O4.27 -","1","0.0625","","Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J.","Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~","Superconductor Science and Technology","1997","10","8","598","604","10.1088/0953-2048/10/8/013","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","206899","2020-10-21","18:00:00",""
"1008821","3.8776","0.0001","3.8776","0.0001","9.5005","0.0003","90","","90","","90","","142.8","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (1/2/1/4.01)","","- Ba2 Cu Hg O4.01 -","- Ba2 Cu Hg O4.01 -","- Ba2 Cu Hg O4.01 -","1","0.0625","","Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J.","Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~","Superconductor Science and Technology","1997","10","8","598","604","10.1088/0953-2048/10/8/013","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","206899","2020-10-21","18:00:00",""
"1008822","3.8793","0.0001","3.8793","0.0001","9.505","0.0001","90","","90","","90","","143","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (1/2/1/4.27)","","- Ba2 Cu Hg O4.27 -","- Ba2 Cu Hg O4.27 -","- Ba2 Cu Hg O4.27 -","1","0.0625","","Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J.","Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~","Superconductor Science and Technology","1997","10","8","598","604","10.1088/0953-2048/10/8/013","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","206899","2020-10-21","18:00:00",""
"1008823","3.8751","0.0001","3.8751","0.0001","9.4852","0.0001","90","","90","","90","","142.4","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (1/2/1/4.24)","","- Ba2 Cu Hg O4.24 -","- Ba2 Cu Hg O4.24 -","- Ba2 Cu Hg O4.24 -","1","0.0625","","Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J.","Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~","Superconductor Science and Technology","1997","10","8","598","604","10.1088/0953-2048/10/8/013","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","206899","2020-10-21","18:00:00",""
"1008824","3.8784","0.0001","3.8784","0.0001","9.4903","0.0001","90","","90","","90","","142.8","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (1/2/1/4.31)","","- Ba2 Cu Hg O4.31 -","- Ba2 Cu Hg O4.31 -","- Ba2 Cu Hg O4.31 -","1","0.0625","","Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J.","Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~","Superconductor Science and Technology","1997","10","8","598","604","10.1088/0953-2048/10/8/013","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","206899","2020-10-21","18:00:00",""
"1008825","10.194","0.001","11.503","0.002","9.682","0.001","100.55","0.01","115.81","0.01","99.13","0.01","967.7","","","","","","","","","","","","","5","P -1","-P 1","2","","Pentacaesium nonatungstorhenate(V) trihydrate","","- Cs5 H6 O35 Re W9 -","- Cs5 H9 O35 Re W9 -","- Cs5 H9 O35 Re W9 -","1","0.5","","Ortega, F; Pope, M T; Evans, H T jr","Tungstorhenate heteropolyanions.2.Synthesis and characterization of enneatungstorhenates (V), -(VI), and -(VII)","Inorganic Chemistry","1997","36","","2166","2169","10.1021/ic961142q","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100016","5.21379","0.00002","5.21379","0.00002","29.73819","0.0002","90","","90","","120","","700.1","","","","","","","","","","","","","6","P 31 1 2","P 31 2 (0 0 4)","151","","Potassium magnesium aluminium silicon oxide hydroxide *","Phengite 3T","- Al1.788 H2 K Mg0.64 O12 Si3.572 -","- Al1.788 H4 K Mg0.64 O12 Si3.572 -","- Al5.364 H12 K3 Mg1.92 O36 Si10.716 -","3","0.5","","Pavese, A; Ferraris, G; Prencipe, M; Ibberson, R","Cation site ordering in phengite 3T from the Dora-Maira massif (western Alps): a variable-temperature neutron powder diffraction study","European Journal of Mineralogy (1,1989-)","1997","9","","1183","1190","","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100017","5.23169","0.00002","5.23169","0.00002","30.1227","0.0002","90","","90","","120","","714","","","","","","","","","","","","","6","P 31 1 2","P 31 2 (0 0 4)","151","","Potassium magnesium aluminium silicon oxide hydroxide *","Phengite 3T","- Al1.848 H2 K Mg0.58 O12 Si3.572 -","- Al1.848 H4 K Mg0.58 O11 Si3.572 -","- Al5.544 H12 K3 Mg1.74 O33 Si10.716 -","3","0.5","","Pavese, A; Ferraris, G; Prencipe, M; Ibberson, R","Cation site ordering in phengite 3T from the Dora-Maira massif (western Alps): a variable-temperature neutron powder diffraction study","European Journal of Mineralogy (1,1989-)","1997","9","","1183","1190","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100099","7.454","0.001","7.454","0.001","12.885","0.002","90","","90","","90","","715.9","","","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Trimagnesium bis(sulfate(VI)) dihydroxide","","- H2 Mg3 O10 S2 -","- H3 Mg3 O10 S2 -","- H12 Mg12 O40 S8 -","4","0.5","","Fleet, M. E.; Knipe, S. W.","Structure of magnesium hydroxide sulfate (2(Mg S O4) . (Mg (O H)2)) and solid solution in magnesium hydroxide sulfate hydrate and caminite","Acta Crystallographica B (39,1983-)","1997","53","3","358","363","10.1107/S0108768197000104","","","","","","","","","","","","","","","","","","","","","has coordinates","188424","2020-10-21","18:00:00",""
"1100419","11.5376","0.0002","13.2343","0.0002","14.991","0.0001","80.099","0.001","67.62","0.001","89.063","0.001","2082.04","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H64 As4 N4 -","- C80 H128 As8 N8 -","- C160 H256 As16 N16 -","2","1","","Avtomonov, Evgeni V.; Megges, Klaus; Li, Xiaowang; Lorberth, Jörg; Wocadlo, Sigrid; Massa, Werner; Harms, Klaus; Churakov, Andrei V.; Howard, Judith A. K","Syntheses and structures of cyclopentadienyl arsenic compounds II. Pentamethyl- and tetraisopropylcyclopentadienyl arsenic amido derivatives","Journal of Organometallic Chemistry","1997","544","1","79","89","10.1016/s0022-328x(97)00328-8","","","","","","","","","","","","","","","","","","","","","has coordinates","178085","2020-10-21","18:00:00",""
"1100420","8.4826","0.0001","18.0319","0.0003","15.56","0.0001","90","","101.297","0.001","90","","2333.9","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 As2 N2 -","- C32 H51 As2 N2 -","- C128 H204 As8 N8 -","4","1","","Avtomonov, Evgeni V.; Megges, Klaus; Li, Xiaowang; Lorberth, Jörg; Wocadlo, Sigrid; Massa, Werner; Harms, Klaus; Churakov, Andrei V.; Howard, Judith A. K","Syntheses and structures of cyclopentadienyl arsenic compounds II. Pentamethyl- and tetraisopropylcyclopentadienyl arsenic amido derivatives","Journal of Organometallic Chemistry","1997","544","1","79","89","10.1016/s0022-328x(97)00328-8","","","","","","","","","","","","","","","","","","","","","has coordinates","178085","2020-10-21","18:00:00",""
"1100421","8.5618","0.0008","8.7905","0.0006","13.368","0.001","100.096","0.007","94.772","0.007","109.57","0.007","922.32","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H64 As2 N2 -","- C72 H128 As4 N4 -","- C72 H128 As4 N4 -","1","0.5","","Avtomonov, Evgeni V.; Megges, Klaus; Li, Xiaowang; Lorberth, Jörg; Wocadlo, Sigrid; Massa, Werner; Harms, Klaus; Churakov, Andrei V.; Howard, Judith A. K","Syntheses and structures of cyclopentadienyl arsenic compounds II. Pentamethyl- and tetraisopropylcyclopentadienyl arsenic amido derivatives","Journal of Organometallic Chemistry","1997","544","1","79","89","10.1016/s0022-328x(97)00328-8","","","","","","","","","","","","","","","","","","","","","has coordinates","178085","2020-10-21","18:00:00",""
"1100422","6.466","0.001","17.319","0.003","14.069","0.003","90","","93.34","0.03","90","","1572.84","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 As Cl N -","- C14 H25 As Cl N -","- C56 H100 As4 Cl4 N4 -","4","1","","Avtomonov, Evgeni V.; Megges, Klaus; Li, Xiaowang; Lorberth, Jörg; Wocadlo, Sigrid; Massa, Werner; Harms, Klaus; Churakov, Andrei V.; Howard, Judith A. K","Syntheses and structures of cyclopentadienyl arsenic compounds II. Pentamethyl- and tetraisopropylcyclopentadienyl arsenic amido derivatives","Journal of Organometallic Chemistry","1997","544","1","79","89","10.1016/s0022-328x(97)00328-8","","","","","","","","","","","","","","","","","","","","","has coordinates","178085","2020-10-21","18:00:00",""
"1100423","8.69","0.002","19.864","0.004","12.737","0.002","90","","104.25","0.01","90","","2130.99","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H33 As Cl N Si2 -","- C16 H33 As Cl N Si2 -","- C64 H132 As4 Cl4 N4 Si8 -","4","1","","Avtomonov, Evgeni V.; Megges, Klaus; Li, Xiaowang; Lorberth, Jörg; Wocadlo, Sigrid; Massa, Werner; Harms, Klaus; Churakov, Andrei V.; Howard, Judith A. K","Syntheses and structures of cyclopentadienyl arsenic compounds II. Pentamethyl- and tetraisopropylcyclopentadienyl arsenic amido derivatives","Journal of Organometallic Chemistry","1997","544","1","79","89","10.1016/s0022-328x(97)00328-8","","","","","","","","","","","","","","","","","","","","","has coordinates","178085","2020-10-21","18:00:00",""
"1100430","6.993","0.001","16.539","0.001","9.554","0.001","90","","104.6","0.01","90","","1069.31","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 D O2 V -","- C13 H11 D O2 V -","- C52 H44 D4 O8 V4 -","4","1","","Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K.","Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH)","Journal of the American Chemical Society","1997","119","32","7452","7457","10.1021/ja964445s","","","","","","","","","","","","","","","","","","","","","has coordinates","177993","2020-10-21","18:00:00",""
"1100431","6.98","0.001","16.541","0.001","9.544","0.001","90","","104.6","0.01","90","","1066.33","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 O2 V -","- C13 H12 O2 V -","- C52 H48 O8 V4 -","4","1","","Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K.","Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH)","Journal of the American Chemical Society","1997","119","32","7452","7457","10.1021/ja964445s","","","","","","","","","","","","","","","","","","","","","has coordinates","177993","2020-10-21","18:00:00",""
"1100432","13.534","0.001","23.276","0.001","13.582","0.001","90","","104.34","0.01","90","","4145.26","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O3 V2 -","- C26 H22 O3 V2 -","- C208 H176 O24 V16 -","8","2","","Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K.","Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH)","Journal of the American Chemical Society","1997","119","32","7452","7457","10.1021/ja964445s","","","","","","","","","","","","","","","","","","","","","has coordinates","177993","2020-10-21","18:00:00",""
"1100433","12.232","0.001","26.33","0.002","14.157","0.001","90","","102.12","0.008","90","","4457.89","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H124 Li16 N16 O8 -","- C75 H132 Li16 N16 O8 -","- C300 H528 Li64 N64 O32 -","4","1","","Hill, Christof; Bosold, Ferdinand; Harms, Klaus; Lohrenz, John C. W.; Marsch, Michael; Schmieczek, Michael; Boche, Gernot","Carbene Structure of Stable Acyl (Formyl) Anion Equivalents","Chemische Berichte/Recueil","1997","130","9","1201","1212","10.1002/cber.19971300907","","","","","","","","","","","","","","","","","","","","","has coordinates","177582","2020-10-21","18:00:00",""
"1100434","15.107","0.001","20.419","0.002","15.835","0.001","90","","115.7","0.008","90","","4401.42","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H124 Li16 N16 O8 -","- C72 H124 Li16 N16 O8 -","- C288 H496 Li64 N64 O32 -","4","1","","Hill, Christof; Bosold, Ferdinand; Harms, Klaus; Lohrenz, John C. W.; Marsch, Michael; Schmieczek, Michael; Boche, Gernot","Carbene Structure of Stable Acyl (Formyl) Anion Equivalents","Chemische Berichte/Recueil","1997","130","9","1201","1212","10.1002/cber.19971300907","","","","","","","","","","","","","","","","","","","","","has coordinates","177582","2020-10-21","18:00:00",""
"1100435","9.485","0.001","14.159","0.003","8.078","0.001","90","","108.504","0.009","90","","1028.77","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Br2 N2 O2 S2 Zn2 -","- C28 H40 Br4 N4 O4 S4 Zn4 -","- C56 H80 Br8 N8 O8 S8 Zn8 -","2","0.5","","Hill, Christof; Bosold, Ferdinand; Harms, Klaus; Lohrenz, John C. W.; Marsch, Michael; Schmieczek, Michael; Boche, Gernot","Carbene Structure of Stable Acyl (Formyl) Anion Equivalents","Chemische Berichte/Recueil","1997","130","9","1201","1212","10.1002/cber.19971300907","","","","","","","","","","","","","","","","","","","","","has coordinates","177582","2020-10-21","18:00:00",""
"1100437","13.665","0.003","13.838","0.003","18.545","0.004","68.21","0.03","78.26","0.03","71.7","0.03","3076.49","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H51 Cl10 N3 P3 V2 -","- C54 H45 Cl4 N3 P3 V2 -","- C108 H90 Cl8 N6 P6 V4 -","2","1","","Miekisch, Thomas; Harms, Klaus; Wocadlo, Sigrid; Massa, Werner; Neumüller, Bernhard; Frommen, Christoph; Dehnicke, Kurt","Die Kristallstruckturen der Phosphaniminato-Komplexe. [Ti~3~^IV^Cl~8~(NPMe~3~)~3~]Cl und [V~2~^III/IV^Cl~4~(NPPh~3~)~3~] / Crystal Structures of the Phosphoraneiminato Complexes [Ti~3~^IV^Cl~8~(NPMe~3~)~3~]Cl and [V~2~^III/IV^Cl~4~(NPPh~3~)~3~]","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","12","1484","1490","10.1515/znb-1997-1208","","","","","","","","","","","","","","","","","","","","","has coordinates","177128","2020-10-21","18:00:00",""
"1100438","14.217","0.002","16.97","0.002","19.746","0.002","90","","90","","90","","4763.97","","","","","","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C17 H49 Cl13 N3 O2 P5 Ti3 -","- C66 H210 Cl33 N5 O8 P7 Ti5 -","- C264 H840 Cl132 N20 O32 P28 Ti20 -","4","0.25","","Miekisch, Thomas; Harms, Klaus; Wocadlo, Sigrid; Massa, Werner; Neumüller, Bernhard; Frommen, Christoph; Dehnicke, Kurt","Die Kristallstruckturen der Phosphaniminato-Komplexe. [Ti~3~^IV^Cl~8~(NPMe~3~)~3~]Cl und [V~2~^III/IV^Cl~4~(NPPh~3~)~3~] / Crystal Structures of the Phosphoraneiminato Complexes [Ti~3~^IV^Cl~8~(NPMe~3~)~3~]Cl and [V~2~^III/IV^Cl~4~(NPPh~3~)~3~]","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","12","1484","1490","10.1515/znb-1997-1208","","","","","","","","","","","","","","","","","","","","","has coordinates","177128","2020-10-21","18:00:00",""
"1100439","8.967","0.002","12.842","0.001","15.1","0.003","90","","94.14","0.01","90","","1734.29","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H42 O7 -","- C40 H42 O7 -","- C80 H84 O14 -","2","1","","Reichardt, Christian; Blum, Andreas; Harms, Klaus; Schäfer, Gerhard","Pyridinium N-Phenolate Betaine Dyes and Their Application to the Characterization of the Polarity of Solvents, XXII. Syntheses and UV/Vis Spectroscopic Properties of Solvatochromic, Halochromic, and Chiro-Solvatochromic Pyridinium N-Phenolate Betaine Dyes with Four Stereogenic Centers","Liebigs Annalen/Recueil","1997","1997","4","707","720","10.1002/jlac.199719970411","","","","","","","","","","","","","","","","","","","","","has coordinates","177969","2020-10-21","18:00:00",""
"1100440","7.462","0.001","11.673","0.002","8.775","0.002","90","","105.39","0.03","90","","736.93","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H24 Cl N O3 -","- C13 H24 Cl N O3 -","- C26 H48 Cl2 N2 O6 -","2","1","","Aurich, Hans Günter; Biesemeier, Frank; Geiger, Michael; Harms, Klaus","Bicyclic and Tricyclic Compounds with β-Amino Alcohol Groups as Chiral Ligands in the Enantioselective Reaction of Diethylzinc with Aldehydes","Liebigs Annalen/Recueil","1997","1997","2","423","434","10.1002/jlac.199719970222","","","","","","","","","","","","","","","","","","","","","has coordinates","177967","2020-10-21","18:00:00",""
"1100441","15.488","0.001","15.488","0.001","11.604","0.001","90","","90","","120","","2410.62","","","","","","","","","","","","","4","P 61","P 61","169","","","","- C15.32 H28.3 N O3.33 -","- C27 H25 N O5 -","- C162 H150 N6 O30 -","6","1","","Aurich, Hans Günter; Biesemeier, Frank; Geiger, Michael; Harms, Klaus","Bicyclic and Tricyclic Compounds with β-Amino Alcohol Groups as Chiral Ligands in the Enantioselective Reaction of Diethylzinc with Aldehydes","Liebigs Annalen/Recueil","1997","1997","2","423","434","10.1002/jlac.199719970222","","","","","","","","","","","","","","","","","","","","","has coordinates","177967","2020-10-21","18:00:00",""
"1100442","5.291","0.001","13.453","0.001","16.941","0.001","90","","90","","90","","1205.86","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O3 -","- C12 H21 N O3 -","- C48 H84 N4 O12 -","4","1","","Aurich, Hans Günter; Biesemeier, Frank; Geiger, Michael; Harms, Klaus","Bicyclic and Tricyclic Compounds with β-Amino Alcohol Groups as Chiral Ligands in the Enantioselective Reaction of Diethylzinc with Aldehydes","Liebigs Annalen/Recueil","1997","1997","2","423","434","10.1002/jlac.199719970222","","","","","","","","","","","","","","","","","","","","","has coordinates","177967","2020-10-21","18:00:00",""
"1100443","14.488","0.001","16.101","0.001","5.608","0.001","90","","90","","90","","1308.19","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H20 N2 O4 -","- C24 H40 N4 O8 -","- C96 H160 N16 O32 -","4","1","","Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus","An Intramolecular 1,3-Dipolar Cycloaddition Involving One Alkyne and Two Nitrone Groups","Liebigs Annalen/Recueil","1997","1997","3","469","471","10.1002/jlac.199719970306","","","","","","","","","","","","","","","","","","","","","has coordinates","177968","2020-10-21","18:00:00",""
"1100444","13.177","0.001","8.48","0.002","19.817","0.004","90","","93.87","0.01","90","","2209.32","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N O3 P S Si -","- C21 H24 N O3 P S Si -","- C84 H96 N4 O12 P4 S4 Si4 -","4","1","","Kunkel, F.; Harms, K.; Kang, H.-C.; Massa, W.; Dehnicke, K.","Phosphaniminato-Komplexe des Schwefels. Kristallstrukturen von [S(NPEt~3~)~3~]Cl, [S(NPEt~3~)~2~]Cl~2~ und [Me~3~SiOSO~2~NPPh~3~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","1-6","962","966","10.1002/zaac.199762301150","","","","","","","","","","","","","","","","","","","","","has coordinates","177948","2020-10-21","18:00:00",""
"1100445","10.854","0.001","17.319","0.001","15.111","0.001","90","","109.82","0.01","90","","2672.3","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H45 Cl N3 P3 S -","- C18 H45 Cl N3 P3 S -","- C72 H180 Cl4 N12 P12 S4 -","4","1","","Kunkel, F.; Harms, K.; Kang, H.-C.; Massa, W.; Dehnicke, K.","Phosphaniminato-Komplexe des Schwefels. Kristallstrukturen von [S(NPEt~3~)~3~]Cl, [S(NPEt~3~)~2~]Cl~2~ und [Me~3~SiOSO~2~NPPh~3~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","1-6","962","966","10.1002/zaac.199762301150","","","","","","","","","","","","","","","","","","","","","has coordinates","177948","2020-10-21","18:00:00",""
"1100446","12.99","0.01","11.579","0.001","12.653","0.001","90","","90","","90","","1903.15","","","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H30 Cl2 N2 P2 S -","- C12 H30 Cl2 N2 P2 S -","- C48 H120 Cl8 N8 P8 S4 -","4","1","","Kunkel, F.; Harms, K.; Kang, H.-C.; Massa, W.; Dehnicke, K.","Phosphaniminato-Komplexe des Schwefels. Kristallstrukturen von [S(NPEt~3~)~3~]Cl, [S(NPEt~3~)~2~]Cl~2~ und [Me~3~SiOSO~2~NPPh~3~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","1-6","962","966","10.1002/zaac.199762301150","","","","","","","","","","","","","","","","","","","","","has coordinates","177948","2020-10-21","18:00:00",""
"1100448","8.344","0.001","11.263","0.004","22.134","0.003","90","","90","","90","","2080.12","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O5 V -","- C22 H24 N2 O5 V -","- C88 H96 N8 O20 V4 -","4","1","","Boln, Carsten; Luong, Thi Kim Khanh; Harms, Klaus","Bis[2-(oxazolinyl)phenolato]oxovanadium(IV) Complexes: Syntheses, Crystal Structures and Catalyses","Chemische Berichte/Recueil","1997","130","7","887","890","10.1002/cber.19971300712","","","","","","","","","","","","","","","","","","","","","has coordinates","177581","2020-10-21","18:00:00",""
"1100449","10.09","0.001","11.779","0.003","19.825","0.003","90","","90","","90","","2356.2","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 N2 O5 V -","- C24 H28 N2 O5 V -","- C96 H112 N8 O20 V4 -","4","1","","Boln, Carsten; Luong, Thi Kim Khanh; Harms, Klaus","Bis[2-(oxazolinyl)phenolato]oxovanadium(IV) Complexes: Syntheses, Crystal Structures and Catalyses","Chemische Berichte/Recueil","1997","130","7","887","890","10.1002/cber.19971300712","","","","","","","","","","","","","","","","","","","","","has coordinates","177581","2020-10-21","18:00:00",""
"1100450","11.7956","0.001","19.3126","0.001","21.937","0.005","90","","90","","90","","4997.33","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H80 B3 Li O4 Si2 -","- C48 H88 B3 Li O4 Si2 -","- C192 H352 B12 Li4 O16 Si8 -","4","1","","Unverzagt, Markus; Subramanian, Govindan; Hofmann, Matthias; von Ragué Schleyer, Paul; Berger, Stefan; Harms, Klaus; Massa, Werner; Berndt, Armin","Carbene Analogues of Boron Stabilized by Neighboring B‒B Moieties: Doubly Aromatic Bishomotriboriranides","Angewandte Chemie, International Edition in English","1997","36","1314","1469","1472","10.1002/anie.199714691","","","","","","","","","","","","","","","","","","","","","has coordinates","177012","2020-10-21","18:00:00",""
"1100451","18.666","0.003","19.977","0.002","21.253","0.003","90","","107.96","0.01","90","","7538.87","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85 H73 B Cl3 F4 P4 Rh -","- C76 H64 B F4 P4 Rh -","- C304 H256 B4 F16 P16 Rh4 -","4","1","","Breit, Bernhard; Winde, Roland; Harms, Klaus","Phosphabenzene‒rhodium catalysts for the efficient hydroformylation of terminal and internal olefins","Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999)","1997","","18","2681","2682","10.1039/a705249i","","","","","","","","","","","","","","","","","","","","","has coordinates","177527","2020-10-21","18:00:00",""
"1100452","7.706","0.0005","8.79","0.0008","9.767","0.0009","70.33","0.007","80.9","0.006","69.63","0.006","583.38","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 Li2 N2 O8 -","- C38 H82 Li4 N4 O20 -","- C38 H82 Li4 N4 O20 -","1","0.5","","Hilf, Christoff; Bosold, Ferdinand; Harms, Klaus; Marsch, Michael; Boche, Gernot","The Equilibrium Between 2-Lithium-Oxazole(-Thiazole, -Imidazole) Derivatives and Their Acyclic Isomers ‒ A Structural Investigation","Chemische Berichte/Recueil","1997","130","9","1213","1221","10.1002/cber.19971300908","","","","","","","","","","","","","","","","","","","","","has coordinates","177584","2020-10-21","18:00:00",""
"1100453","15.587","0.003","15.587","0.003","15.587","0.003","90","","90","","90","","3786.93","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C9 H28 I N Sn3 -","- C9 H28 I N Sn3 -","- C72 H224 I8 N8 Sn24 -","8","0.666667","","Hillwig, R.; Harms, K.; Dehnicke, K.; Müller, U.","Elementorganisch substituierte Ammonium-Salze. Die Kristallstrukturen von [HN(SnMe~3~)~3~]I, [H~2~N(SnMe~3~)~2~][SnMe~3~Cl~2~] und [N(AsMe~3~)~2~]Br","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","1-6","676","682","10.1002/zaac.199762301107","","","","","","","","","","","","","","","","","","","","","has coordinates","177947","2020-10-21","18:00:00",""
"1100454","13.732","0.006","7.622","0.003","19.515","0.008","90","","90","","90","","2042.54","","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C9 H29 Cl2 N Sn3 -","- C9 H29 Cl2 N Sn3 -","- C36 H116 Cl8 N4 Sn12 -","4","1","","Hillwig, R.; Harms, K.; Dehnicke, K.; Müller, U.","Elementorganisch substituierte Ammonium-Salze. Die Kristallstrukturen von [HN(SnMe~3~)~3~]I, [H~2~N(SnMe~3~)~2~][SnMe~3~Cl~2~] und [N(AsMe~3~)~2~]Br","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","1-6","676","682","10.1002/zaac.199762301107","","","","","","","","","","","","","","","","","","","","","has coordinates","189099","2020-10-21","18:00:00",""
"1100455","8.263","0.002","8.263","0.002","34.909","0.007","90","","90","","90","","2383.49","","","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C6 H18 As2 Br N -","- C12 As4 Br N -","- C96 As32 Br8 N8 -","8","0.5","","Hillwig, R.; Harms, K.; Dehnicke, K.; Müller, U.","Elementorganisch substituierte Ammonium-Salze. Die Kristallstrukturen von [HN(SnMe~3~)~3~]I, [H~2~N(SnMe~3~)~2~][SnMe~3~Cl~2~] und [N(AsMe~3~)~2~]Br","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","1-6","676","682","10.1002/zaac.199762301107","","","","","","","","","","","","","","","","","","","","","has coordinates","177947","2020-10-21","18:00:00",""
"1100456","6.397","0.001","7.769","0.002","15.411","0.004","90","","100.15","0.02","90","","753.91","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H21 N O4 S -","- C14 H21 N O4 S -","- C28 H42 N2 O8 S2 -","2","1","","Harms, K.; Koert, U.; Wagner, H.","Crystal structure of (2S,5S,1'S)-5-hydroxymethyl-2-(1'-p-toluene-sulfonamidoethyl)-tetrahydrofurane, C~14~H~21~NO~4~S","Zeitschrift für Kristallographie","1997","212","3","212","212","10.1524/zkri.1997.212.3.238","","","","","","","","","","","","","","","","","","","","","has coordinates","178096","2020-10-21","18:00:00",""
"1100476","7.594","0.001","14.485","0.003","15.576","0.002","90","","91.09","0.01","90","","1713.04","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N2 S2 Sb -","- C18 H15 N2 S2 Sb -","- C72 H60 N8 S8 Sb4 -","4","1","","Kunkel, Frank; Harms, Klaus; Kang, Hak-Chul; Massa, Werner; Dehnicke, Kurt","Über die Reaktion von SbPh~3~ mit S~3~N~2~Cl~2~ Kristallstrukturen von [xxx] und [(Ph~3~SbCl~2~)~2~·S~4~N~4~] / On the Reaction of SbPh~3~ with S~3~N~2~Cl~2~. Crystal Structures of [xxx] and [(Ph~3~SbCl~2~)~2~·S~4~N~4~]","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","2","193","198","10.1515/znb-1997-0208","","","","","","","","","","","","","","","","","","","","","has coordinates","177074","2020-10-21","18:00:00",""
"1100477","15.493","0.0014","10.1769","0.0014","26.2388","0.0014","90","","105.56","0.017","90","","3985.47","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Cl4 N4 S4 Sb2 -","- C36 H30 Cl4 N8 S8 Sb2 -","- C144 H120 Cl16 N32 S32 Sb8 -","4","0.5","","Kunkel, Frank; Harms, Klaus; Kang, Hak-Chul; Massa, Werner; Dehnicke, Kurt","Über die Reaktion von SbPh~3~ mit S~3~N~2~Cl~2~ Kristallstrukturen von [xxx] und [(Ph~3~SbCl~2~)~2~·S~4~N~4~] / On the Reaction of SbPh~3~ with S~3~N~2~Cl~2~. Crystal Structures of [xxx] and [(Ph~3~SbCl~2~)~2~·S~4~N~4~]","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","2","193","198","10.1515/znb-1997-0208","","","","","","","","","","","","","","","","","","","","","has coordinates","177074","2020-10-21","18:00:00",""
"1100478","9.033","0.002","12.179","0.003","15.916","0.002","90","","93.943","0.014","90","","1746.82","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H52 Cl4 N2 P2 Si2 Zn2 -","- C44 H104 Cl8 N4 P4 Si4 Zn4 -","- C88 H208 Cl16 N8 P8 Si8 Zn8 -","2","0.5","","Krieger, Matthias; Harms, Klaus; Magull, Jörg; Dehnicke, Kurt","Phosphanimin- und Phosphaniminato-Komplexe des Zinks. Kristallstrukturen von [ZnCl~2~(Me~3~SiNP(CH~2~)~4~CMe~3~)]~2~, [ZnI~2~(Me~3~SiNPEt~3~)]~2~, [ZnI~2~{Me~2~Si(NPEt~3~)~2~}] und [ZnBr(NPMe~3~)]~4~·CH~2~Cl~2~ / Phosphaneimine and Phosphoraneiminato Complexes of Zinc. Crystal Structures of [ZnCl~2~(Me~3~SiNP(CH~2~)~4~CMe~3~)]~2~, [ZnI~2~(Me~3~SiNPEt~3~)]~2~, [Znl~2~{Me~2~Si(NPEt~3~)~2~}], and [ZnBr(NPMe~3~)]~4~·CH~2~Cl~2~","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","2","243","250","10.1515/znb-1997-0218","","","","","","","","","","","","","","","","","","","","","has coordinates","177075","2020-10-21","18:00:00",""
"1100479","9.479","0.002","12.192","0.002","15.271","0.002","90","","91.17","0.01","90","","1764.47","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H48 I4 N2 P2 Si2 Zn2 -","- C36 H96 I8 N4 P4 Si4 Zn4 -","- C72 H192 I16 N8 P8 Si8 Zn8 -","2","0.5","","Krieger, Matthias; Harms, Klaus; Magull, Jörg; Dehnicke, Kurt","Phosphanimin- und Phosphaniminato-Komplexe des Zinks. Kristallstrukturen von [ZnCl~2~(Me~3~SiNP(CH~2~)~4~CMe~3~)]~2~, [ZnI~2~(Me~3~SiNPEt~3~)]~2~, [ZnI~2~{Me~2~Si(NPEt~3~)~2~}] und [ZnBr(NPMe~3~)]~4~·CH~2~Cl~2~ / Phosphaneimine and Phosphoraneiminato Complexes of Zinc. Crystal Structures of [ZnCl~2~(Me~3~SiNP(CH~2~)~4~CMe~3~)]~2~, [ZnI~2~(Me~3~SiNPEt~3~)]~2~, [Znl~2~{Me~2~Si(NPEt~3~)~2~}], and [ZnBr(NPMe~3~)]~4~·CH~2~Cl~2~","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","2","243","250","10.1515/znb-1997-0218","","","","","","","","","","","","","","","","","","","","","has coordinates","177075","2020-10-21","18:00:00",""
"1100480","9.654","0.001","9.654","0.001","27.969","0.002","90","","90","","90","","2606.7","","","","","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C14 H36 I2 N2 P2 Si Zn -","- C28 H72 I4 N4 P4 Si Zn -","- C112 H288 I16 N16 P16 Si4 Zn4 -","4","0.5","","Krieger, Matthias; Harms, Klaus; Magull, Jörg; Dehnicke, Kurt","Phosphanimin- und Phosphaniminato-Komplexe des Zinks. Kristallstrukturen von [ZnCl~2~(Me~3~SiNP(CH~2~)~4~CMe~3~)]~2~, [ZnI~2~(Me~3~SiNPEt~3~)]~2~, [ZnI~2~{Me~2~Si(NPEt~3~)~2~}] und [ZnBr(NPMe~3~)]~4~·CH~2~Cl~2~ / Phosphaneimine and Phosphoraneiminato Complexes of Zinc. Crystal Structures of [ZnCl~2~(Me~3~SiNP(CH~2~)~4~CMe~3~)]~2~, [ZnI~2~(Me~3~SiNPEt~3~)]~2~, [Znl~2~{Me~2~Si(NPEt~3~)~2~}], and [ZnBr(NPMe~3~)]~4~·CH~2~Cl~2~","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","2","243","250","10.1515/znb-1997-0218","","","","","","","","","","","","","","","","","","","","","has coordinates","177075","2020-10-21","18:00:00",""
"1100481","11.469","0.006","11.469","0.006","14.379","0.007","90","","90","","90","","1891.38","","","","","","","","","","","","","7","P 42/n m c :2","-P 4ac 2a","137","","","","- C13 H38 Br4 Cl2 N4 P4 Zn4 -","- C88 H216 Br16 N16 P16 Zn16 -","- C176 H432 Br32 N32 P32 Zn32 -","2","0.125","","Krieger, Matthias; Harms, Klaus; Magull, Jörg; Dehnicke, Kurt","Phosphanimin- und Phosphaniminato-Komplexe des Zinks. Kristallstrukturen von [ZnCl~2~(Me~3~SiNP(CH~2~)~4~CMe~3~)]~2~, [ZnI~2~(Me~3~SiNPEt~3~)]~2~, [ZnI~2~{Me~2~Si(NPEt~3~)~2~}] und [ZnBr(NPMe~3~)]~4~·CH~2~Cl~2~ / Phosphaneimine and Phosphoraneiminato Complexes of Zinc. Crystal Structures of [ZnCl~2~(Me~3~SiNP(CH~2~)~4~CMe~3~)]~2~, [ZnI~2~(Me~3~SiNPEt~3~)]~2~, [Znl~2~{Me~2~Si(NPEt~3~)~2~}], and [ZnBr(NPMe~3~)]~4~·CH~2~Cl~2~","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","2","243","250","10.1515/znb-1997-0218","","","","","","","","","","","","","","","","","","","","","has coordinates","177075","2020-10-21","18:00:00",""
"1100488","9.754","0.001","13.163","0.002","14.853","0.001","90","","98.55","0.01","90","","1885.81","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H27 N Sn3 -","- C11 H27 N Sn3 -","- C44 H108 N4 Sn12 -","4","1","","Hillwig, Ralf; Harms, Klaus; Dehnicke, Kurt","Die Kristallstruktur von Tris(trimethylstannyl) acetonitril / Crystal Structure of Tris(trimethylstannyl)-acetonitrile","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","1","145","148","10.1515/znb-1997-0128","","","","","","","","","","","","","","","","","","","","","has coordinates","177071","2020-10-21","18:00:00",""
"1100489","6.53","0.001","10.34","0.002","11.245","0.002","90","","90","","90","","759.26","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H9 I Pb -","- C3 H9 I2 Pb2 -","- C12 H36 I8 Pb8 -","4","1","","Hillwig, Ralf; Kunkel, Frank; Harms, Klaus; Neumüller, Bernhard; Dehnicke, Kurt","Die Kristallstrukturen von Trimethylbleiiodid und Diphenylbismutchlorid / Crystal Structures of Trimethyllead Iodide and Diphenylbismuth Chloride","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","1","149","152","10.1515/znb-1997-0129","","","","","","","","","","","","","","","","","","","","","has coordinates","177085","2020-10-21","18:00:00",""
"1100490","8.475","0.002","8.475","0.002","16.449","0.004","90","","90","","90","","1181.46","","","","","","","","","","","","","4","P 42","P 4c","77","","","","- C24 H20 Bi2 Cl2 -","- C60 H50 Bi3 Cl6 -","- C120 H100 Bi6 Cl12 -","2","0.5","","Hillwig, Ralf; Kunkel, Frank; Harms, Klaus; Neumüller, Bernhard; Dehnicke, Kurt","Die Kristallstrukturen von Trimethylbleiiodid und Diphenylbismutchlorid / Crystal Structures of Trimethyllead Iodide and Diphenylbismuth Chloride","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","1","149","152","10.1515/znb-1997-0129","","","","","","","","","","","","","","","","","","","","","has coordinates","177085","2020-10-21","18:00:00",""
"1101070","12.492","0.004","4.967","0.001","12.051","0.004","90","","109.1","0.02","90","","706.574","","","","20","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Creatine monohydrate","","","- C4 H11 N3 O3 -","- C4 H11 N3 O3 -","- C16 H44 N12 O12 -","4","1","","C.S.Frampton; C.C.Wilson; N.Shankland; A.J.Florence","","J.Chem.Soc.,Faraday Trans.","1997","93","","1875","","10.1039/a701292f","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101071","12.489","0.007","4.987","0.001","12.075","0.006","90","","108.86","0.03","90","","711.686","","","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Creatine monohydrate","","","- C4 H11 N3 O3 -","- C4 H11 N3 O3 -","- C16 H44 N12 O12 -","4","1","","Frampton, Christopher S.; Wilson, Chick C.; Shankland, Norman; Florence, Alastair J.","Single-crystal neutron refinement of creatine monohydrate at 20 K and 123 K","Journal of the Chemical Society, Faraday Transactions","1997","93","10","1875","1879","10.1039/a701292f","","","","","","","","","","","","","","","","","","","","","has coordinates","202227","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",""
"1101119","7.859","0.001","11.811","0.002","12.986","0.002","73.69","0.01","84.53","0.01","85.8","0.01","1150.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 N12 O10 Pt -","- C12 H20 N12 O10 Pt -","- C24 H40 N24 O20 Pt2 -","2","1","","Jorge A. R. Navarro; M. Angustias Romero; Juan M. Salas; Miguel Quirós","Kinetically and thermodynamically controlled formation of homo- and heterobinuclear platinum(II) and palladium(II) complexes supported by bidentate triazolopyrimidine ligands","Inorganic Chemistry","1997","36","","3277","3283","10.1021/ic9609214","","","","","","","0.0502","","","0.1372","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101131","9.5273","0.001","9.972","0.002","11.249","0.002","94.794","0.013","100.304","0.01","91.354","0.011","1047","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H30 F N3 O9 -","- C17 H30 F N3 O9 -","- C34 H60 F2 N6 O18 -","2","1","","Iztok Turel; Peter Bukovec; Miguel Quirós","Crystal structure of ciprofloxacin hexahydrate and its characterization","International Journal of Pharmaceutics","1997","152","","59","65","10.1016/S0378-5173(97)04913-2","","","","","","","0.0455","","","0.1011","","","","","","","","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1101135","13.752","0.001","12.5658","0.0008","19.215","0.001","90","","118.08","0.01","90","","2929.5","0.4","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N14 O9 Pd Pt -","- C22 H26 N14 O9 Pd Pt -","- C88 H104 N56 O36 Pd4 Pt4 -","4","1","","Jorge A. R. Navarro; M. Angustias Romero; Juan M. Salas; Miguel Quirós","Kinetically and thermodynamically controlled formation of homo- and heterobinuclear platinum(II) and palladium(II) complexes supported by bidentate triazolopyrimidine ligands","Inorganic Chemistry","1997","36","","3277","3283","10.1021/ic9609214","","","","","","","0.03","","","0.04","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"1101138","8.746","0.0008","13.874","0.001","10.678","0.001","90","","92.64","0.01","90","","1294.4","0.7","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cu N10 O14 -","- C16 H24 Cu N10 O14 -","- C32 H48 Cu2 N20 O28 -","2","0.5","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","A new three-dimensional, hydrogen-bonded metal-pteridine complex: synthesis, characterization and crystal structure of diaqua bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-O^4^,N^5^) copper(II) nitrate dihydrate","Polyhedron","1997","16","","607","612","10.1016/0277-5387(96)00318-X","","","","","","","0.047","","","0.088","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508227","10.24","","10.24","","9.652","","90","","90","","90","","1012.09","","","","","","","","","","","","","5","I -4 2 m","I -4 2","121","","ACP-1","","- C8 Co8 N8 O34 P8 -","- C8 Al0.88 Co7.12 N8 O34 P8 -","- C8 Al0.88 Co7.12 N8 O34 P8 -","1","0.0625","","Feng, Pingyun; Bu, Xianhui; Stucky, Galen D.","Hydrothermal syntheses and structural characterization of zeolite analogue compounds based on cobalt phosphate","Nature","1997","388","","735","741","10.1038/41937","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508991","5.761","","12.171","","8.342","","90","","92.26","","90","","584.462","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium silver tellurium sulfide (1.5/0.5/1/3)","","- Ag0.5 Na1.5 S3 Te -","- Ag0.5 Na1.5 S3 Te -","- Ag2 Na6 S12 Te4 -","4","1","","Pertlik, F.","Crystal structure of Ag2 Te S3 and Na (Na1-x Agx) Te S3 (x = 0.5) and the geometry of Te(IV) S3 polyhedra","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1997","128","","157","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509166","3.869","","3.869","","29.37","","90","","90","","90","","439.644","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Ag Ca2 (Ta3 O10)","","- Ag Ca2 O10 Ta3 -","- Ag Ca2 O10 Ta3 -","- Ag2 Ca4 O20 Ta6 -","2","0.0625","","Suzuki, T.; Sato, M.; Toda, K.","Synthesis and high ionic conductivity of new layered perovskite compounds, Ag La Ta2 O7 and Ag Ca2 Ta3 O10","Solid State Ionics","1997","93","","177","181","10.1016/S0167-2738(96)00518-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509209","5.229","","11.008","","5.515","","90","","94.91","","90","","316.283","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ag (Au F4)2","","- Ag Au2 F8 -","- Ag Au2 F8 -","- Ag2 Au4 F16 -","2","0.5","","Fischer, R.; Mueller, B.G.","Synthese und Struktur von Silber(II)-tetrafluoroaurat(III) Ag (Au F4)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","1729","1733","10.1002/zaac.19976231110","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509262","20.537","0.007","8.653","0.003","18.846","0.006","90","","106.68","0.02","90","","3208.1","1.9","298","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Hg N8 O6 S4 -","- C24 H30 Hg N8 O6 S4 -","- C96 H120 Hg4 N32 O24 S16 -","4","0.5","","Angel García-Raso; Juan J. Fiol; G. Martorell; Adela López-Zafra; Miguel Quirós","Metallation of 2-sulfanilamidopyrimidine (sulfadiazine). X-ray diffraction structure and solution behaviour of bis(sulfadiazinato) mercury(II) bis(dimethylsulfoxide)","Polyhedron","1997","16","","613","621","10.1016/0277-5387(96)00317-8","","","0.71073","MoKα","","0.0527","0.0418","","","","0.0542","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509435","3.894","","3.894","","21.564","","90","","90","","90","","326.98","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Ag La (Ta2 O7)","","- Ag La O7 Ta2 -","- Ag La O7 Ta2 -","- Ag2 La2 O14 Ta4 -","2","0.0625","","Toda, K.; Sato, M.; Suzuki, T.","Synthesis and high ionic conductivity of new layered perovskite compounds, Ag La Ta2 O7 and Ag Ca2 Ta3 O10","Solid State Ionics","1997","93","","177","181","10.1016/S0167-2738(96)00518-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509439","10.576","","10.576","","5.987","","90","","90","","120","","579.94","","","","","","","","","","","","","4","P 63","P 6c","173","","La3 Ag Se7 Si","","- Ag La3 Se7 Si -","- Ag La3 Se7 Si -","- Ag2 La6 Se14 Si2 -","2","0.333333","","Lin, S.-H.; Huang, J.-S.; Guo, G.-C.; Mao, J.-G.","Synthesis and crystal structure of a new quaternary compound: La3 Ag Se7 Si","Journal of Alloys Compd.","1997","252","","8","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509536","7.6693","","4.591","","8.3755","","90","","90","","90","","294.899","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb Ag Sb","","- Ag Sb Yb -","- Ag Sb Yb -","- Ag4 Sb4 Yb4 -","4","0.5","","Rogl, P.; Flandorfer, H.; Ferro, R.; Hiebl, K.; Saccone, A.; Godart, C.","The crystal structure and magnetic properties of Yb M Sb, M = Cu, Ag, Au","Journal of Alloys Compd.","1997","256","","170","174","10.1016/S0925-8388(96)03007-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509584","7.382","","3.6029","","12.193","","90","","107.39","","90","","309.47","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Ag1.2 (V3 O8)","","- Ag1.2 O8 V3 -","- Ag1.2 O8 V3 -","- Ag2.4 O16 V6 -","2","0.5","","Rozier, P.; Galy, J.","Ag1.2 V3 O8 crystal structure: relationship with Ag2 V4 O11-y and interpretation of physical properties","Journal of Solid State Chemistry","1997","134","","294","301","10.1006/jssc.1997.7559","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509599","4.045","","4.045","","4.045","","90","","90","","90","","66.184","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Li3 Ag3 Ge2)0.5","","- Ag1.5 Ge Li1.5 -","- Ag1.5 Ge Li1.5 -","- Ag1.5 Ge Li1.5 -","1","0.0208333","","Bodak, O.I.; Kevorkov, D.G.; Pavlyuk, V.V.","X-ray investigations of the Li - Ag - (Si, Ge) systems at 470 K","Polish Journal of Chemistry","1997","71","","712","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509603","6.05","","6.05","","6.05","","90","","90","","90","","221.445","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","(Li2 Ag Si2)1.6","","- Ag1.6 Li3.2 Si3.2 -","- Ag1.6 Li3.2 Si3.2 -","- Ag3.2 Li6.4 Si6.4 -","2","0.0208333","","Pavlyuk, V.V.; Kevorkov, D.G.; Bodak, O.I.","X-ray investigations of the Li - Ag - (Si, Ge) systems at 470 K","Polish Journal of Chemistry","1997","71","","712","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509666","4.045","","4.045","","4.045","","90","","90","","90","","66.184","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Li Ag2 Si","","- Ag2 Li Si -","- Ag2.001 Li0.999 Si -","- Ag2.001 Li0.999 Si -","1","0.0208333","","Pavlyuk, V.V.; Bodak, O.I.; Kevorkov, D.G.","X-ray investigations of the Li - Ag - (Si, Ge) systems at 470 K","Polish Journal of Chemistry","1997","71","","712","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509667","6.055","","6.055","","6.164","","90","","90","","90","","225.991","","","","","","","","","","","","","3","P 42/n n m :2","-P 4ac 2bc","134","","Li3 Ag2 Si3","","- Ag2 Li3 Si3 -","- Ag2 Li3 Si3 -","- Ag4 Li6 Si6 -","2","0.125","","Bodak, O.I.; Kevorkov, D.G.; Pavlyuk, V.V.","X-ray investigations of the Li - Ag - (Si, Ge) systems at 470 K","Polish Journal of Chemistry","1997","71","","712","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509696","5.623","","5.623","","12.6694","","90","","90","","120","","346.915","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Ag2 (Sn O3)","","- Ag2 O3 Sn -","- Ag1.995 O3 Sn -","- Ag7.98 O12 Sn4 -","4","0.333333","","Linke, C.; Jansen, M.","Ueber Ag2 Sn O3, das erste Silberstannat","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","1441","1446","10.1002/zaac.19976230920","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509699","16.813","","7.6116","","5.0545","","90","","101.95","","90","","632.826","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ag2 (Ti O3)","","- Ag2 O3 Ti -","- Ag2 O3 Ti -","- Ag16 O24 Ti8 -","8","1","","Jansen, M.; Linke, C.","Synthesis and crystal structure of disilvertitanate-(IV), Ag2 Ti O3","Journal of Solid State Chemistry","1997","134","","17","21","10.1006/jssc.1997.7518","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509704","7.739","","13.611","","6.294","","90","","99","","90","","654.819","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ag2 (V P2 O8)","","- Ag2 O8 P2 V -","- Ag2 O8 P2 V -","- Ag8 O32 P8 V4 -","4","1","","Veiga, M.L.; Daidouh, A.; Pico, C.","Structure characterization and ionic conductivity of Ag2 V P2 O8","Journal of Solid State Chemistry","1997","130","","28","34","10.1006/jssc.1996.7266","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509711","4.386","","4.386","","7.194","","90","","90","","120","","119.85","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ba (Ag2 S2)","","- Ag2 Ba S2 -","- Ag2 Ba S2 -","- Ag2 Ba S2 -","1","0.0833333","","Bronger, W.; Huster, J.; Lenders, B.","Ba Ag2 S2, ein Thioargentat im Ca Al2 Si2-Strukturtyp","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","1357","1360","10.1002/zaac.19976230906","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509712","6.783","","11.567","","7.693","","90","","114.44","","90","","549.501","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Ag2 Te S3","","- Ag2 S3 Te -","- Ag2 S3 Te -","- Ag8 S12 Te4 -","4","1","","Pertlik, F.","Crystal structure of Ag2 Te S3 and Na (Na1-x Agx) Te S3 (x = 0.5) and the geometry of Te(IV) S3 polyhedra","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1997","128","","157","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509809","6.326","","6.326","","6.326","","90","","90","","90","","253.156","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li Ag2 Ge","","- Ag2 Ge Li -","- Ag2 Ge Li -","- Ag8 Ge4 Li4 -","4","0.0208333","","Bodak, O.I.; Kevorkov, D.G.; Pavlyuk, V.V.","X-ray investigations of the Li - Ag - (Si, Ge) systems at 470 K","Polish Journal of Chemistry","1997","71","","712","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509812","6.169","","6.169","","6.213","","90","","90","","90","","236.445","","","","","","","","","","","","","3","P 42/n n m :2","-P 4ac 2bc","134","","Li3 Ag2 Ge3","","- Ag2 Ge3 Li3 -","- Ag2 Ge3 Li3 -","- Ag4 Ge6 Li6 -","2","0.125","","Pavlyuk, V.V.; Kevorkov, D.G.; Bodak, O.I.","X-ray investigations of the Li - Ag - (Si, Ge) systems at 470 K","Polish Journal of Chemistry","1997","71","","712","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509898","13.515","","4.098","","26","","90","","93","","90","","1438.02","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Ag4.67 Pb0.5 Bi7.33 Sb1.5 S16","","- Ag4.67 Bi7.33 Pb0.5 S16 Sb1.5 -","- Ag4.66 Bi7.34 Pb0.5 S16 Sb1.5 -","- Ag9.32 Bi14.68 Pb S32 Sb3 -","2","0.25","","Ilinca, G.; Makovicky, E.","Note on the definition of borodayevite (Ag5 (Fe,Pb) Bi7)13 (Sb,Bi)2 S17","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1997","1997","","337","353","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509964","7.368","","14.77","","12.768","","90","","124.28","","90","","1148.12","","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- Ag7 Nb S6 -","- Ag7 Nb S6 -","- Ag28 Nb4 S24 -","4","2","","Onoda, M.; Wada, H.; Ishii, M.; Tansho, M.","Crystal structures of low-temperature phases (phase II) of ionic conductors Ag7 Ta S6 and Ag7 Nb S6","Journal of Alloys Compd.","1997","262","","39","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510105","6.483","","13.789","","7.651","","90","","112.17","","90","","633.388","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Cs (Au Se3)","","- Au Cs Se3 -","- Au Cs Se3 -","- Au4 Cs4 Se12 -","4","0.5","","Kanatzidis, M.G.; Park, Y.","On the dissolution of gold in K2 Qx and Na2 Qx fluxes (Q = S, Se). Formation of K Au S5, K Au Se5, Cs Au Se3, K Au Se2 and Na Au Se2: low-dimensional Au(+) and Au(3+) compounds with poly- and mono-chalcogenide ligands","Journal of Alloys Compd.","1997","257","","137","145","10.1016/S0925-8388(96)03130-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510132","4.791","","38.336","","8.201","","90","","90","","90","","1506.26","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Eu Au Sn","","- Au Eu Sn -","- Au Eu Sn -","- Au20 Eu20 Sn20 -","20","2.5","","Mosel, B.D.; Muellmann, R.; Kotzyba, G.; Hoffmann, R.; Poettgen, R.","A five-fold superstructure of the K Hg2-type, realized for the new stannide Eu Au Sn","Chemistry - A European Journal","1997","3","","1852","1859","10.1002/chem.19970031118","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510164","4.462","","4.462","","8.1605","","90","","90","","120","","140.704","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","La Au Ge","","- Au Ge La -","- Au Ge La -","- Au2 Ge2 La2 -","2","0.166667","","Kremer, K.; Jepsen, O.; Schnelle, W.; Gmelin, E.; Poettgen, R.","Crystal structure, magnetic susceptibility, electrical resistivity, specific heat and electronic band structure of R Au Ge (R= Sc, Y, La, Lu)","Journal of Physics: Condensed Matter","1997","9","","1435","1450","10.1088/0953-8984/9/7/009","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510171","4.41","","4.41","","7.3086","","90","","90","","120","","123.095","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Y Au Ge","","- Au Ge Y -","- Au Ge Y -","- Au2 Ge2 Y2 -","2","0.166667","","Kremer, R.K.; Gmelin, E.; Schnelle, W.; Jepsen, O.; Poettgen, R.","Crystal structure, magnetic susceptibility, electrical resistivity, specific heat and electronic band structure of R Au Ge (R= Sc, Y, La, Lu)","Journal of Physics: Condensed Matter","1997","9","","1435","1450","10.1088/0953-8984/9/7/009","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510186","9.686","","7.045","","13.932","","90","","100.95","","90","","933.381","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K (Au I4)","","- Au I4 K -","- Au I4 K -","- Au4 I16 K4 -","4","1","","Straehle, J.; Abram, U.; 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 Li Au I4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","1791","1795","10.1002/zaac.19976231122","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","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",""
"1510206","7.699","","7.699","","3.665","","90","","90","","90","","217.241","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","K (Au Se2)","","- Au K Se2 -","- Au K Se2 -","- Au2 K2 Se4 -","2","0.125","","Kanatzidis, M.G.; Park, Y.","On the dissolution of gold in K2 Qx and Na2 Qx fluxes (Q = S, Se). Formation of K Au S5, K Au Se5, Cs Au Se3, K Au Se2 and Na Au Se2: low-dimensional Au(+) and Au(3+) compounds with poly- and mono-chalcogenide ligands","Journal of Alloys Compd.","1997","257","","137","145","10.1016/S0925-8388(96)03130-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510207","8.625","","11.293","","16.425","","90","","90","","90","","1599.83","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","K (Au Se5)","","- Au K Se5 -","- Au K Se5 -","- Au8 K8 Se40 -","8","0.5","","Kanatzidis, M.G.; Park, Y.","On the dissolution of gold in K2 Qx and Na2 Qx fluxes (Q = S, Se). Formation of K Au S5, K Au Se5, Cs Au Se3, K Au Se2 and Na Au Se2: low-dimensional Au(+) and Au(3+) compounds with poly- and mono-chalcogenide ligands","Journal of Alloys Compd.","1997","257","","137","145","10.1016/S0925-8388(96)03130-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510244","6.991","","8.374","","6.724","","90","","105.23","","90","","379.816","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Na (Au Se2)","","- Au Na Se2 -","- Au Na Se2 -","- Au4 Na4 Se8 -","4","1","","Park, Y.; Kanatzidis, M.G.","On the dissolution of gold in K2 Qx and Na2 Qx fluxes (Q = S, Se). Formation of K Au S5, K Au Se5, Cs Au Se3, K Au Se2 and Na Au Se2: low-dimensional Au(+) and Au(3+) compounds with poly- and mono-chalcogenide ligands","Journal of Alloys Compd.","1997","257","","137","145","10.1016/S0925-8388(96)03130-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510288","4.6374","","4.6374","","7.7289","","90","","90","","120","","143.945","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Yb Au Sb","","- Au Sb Yb -","- Au Sb Yb -","- Au2 Sb2 Yb2 -","2","0.166667","","Hiebl, K.; Rogl, P.; Saccone, A.; Flandorfer, H.; Ferro, R.; Godart, C.","The crystal structure and magnetic properties of Yb M Sb, M = Cu, Ag, Au","Journal of Alloys Compd.","1997","256","","170","174","10.1016/S0925-8388(96)03007-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510373","5.75","","5.75","","10.348","","90","","90","","90","","342.131","","","","","","","","","","","","","3","P 4/m c c","-P 4 2c","124","","Cd (Au F4)2","","- Au2 Cd F8 -","- Au2 Cd F8 -","- Au4 Cd2 F16 -","2","0.125","","Bialowons, H.; Mueller, B.G.","Synthese und Struktur von M(II) (Au F4)2 (M(II) = Cd, Hg)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","1719","1722","10.1002/zaac.19976231108","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510401","5.756","","5.756","","10.423","","90","","90","","90","","345.33","","","","","","","","","","","","","3","P 4/m c c","-P 4 2c","124","","Hg (Au F4)2","","- Au2 F8 Hg -","- Au2 F8 Hg -","- Au4 F16 Hg2 -","2","0.125","","Bialowons, H.; Mueller, B.G.","Synthese und Struktur von M(II) (Au F4)2 (M(II) = Cd, Hg)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","1719","1722","10.1002/zaac.19976231108","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510404","5.488","","5.466","","10.359","","90","","100.5","","90","","305.54","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ni (Au F4)2","","- Au2 F8 Ni -","- Au2 F8 Ni -","- Au4 F16 Ni2 -","2","0.5","","Bialowons, H.; Mueller, B.G.","Synthese und Struktur von M(II) (Au F4)2 mit M(II) = Ni, Pd","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","434","438","10.1002/zaac.19976230169","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510405","5.206","","10.972","","5.565","","90","","90.17","","90","","317.873","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Pd (Au F4)2","","- Au2 F8 Pd -","- Au2 F8 Pd -","- Au4 F16 Pd2 -","2","0.5","","Mueller, B.G.; Bialowons, H.","Synthese und Struktur von M(II) (Au F4)2 mit M(II) = Ni, Pd","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","434","438","10.1002/zaac.19976230169","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510598","7.357","","10.557","","14.45","","104.88","","94.25","","110.18","","1001.57","","","","","","","","","","","","","3","P -1","-P 1","2","","(Bi Br2) (Au Br4)","","- Au Bi Br6 -","- Au Bi Br6 -","- Au4 Bi4 Br24 -","4","2","","Wagner, S.; Beck, J.","Lewis-Saeure-Base-Reaktionen von Goldtrihalogeniden mit Bismuttrihalogeniden - Synthese und Kristallstrukturen von AuBiX6 (X = Cl, Br)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","1810","1814","10.1002/zaac.19976231125","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510600","6.983","","10.093","","13.81","","104.98","","94.73","","110.06","","867.356","","","","","","","","","","","","","3","P -1","-P 1","2","","(Bi Cl2) (Au Cl4)","","- Au Bi Cl6 -","- Au Bi Cl6 -","- Au4 Bi4 Cl24 -","4","2","","Beck, J.; Wagner, S.","Lewis-Saeure-Base-Reaktionen von Goldtrihalogeniden mit Bismuttrihalogeniden - Synthese und Kristallstrukturen von AuBiX6 (X = Cl, Br)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","1810","1814","10.1002/zaac.19976231125","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510700","8.5656","","8.5656","","8.685","","90","","90","","120","","551.844","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","K2 Ga2 O (B O3)2","","- B2 Ga2 K2 O7 -","- B2 Ga2 K2 O7 -","- B6 Ga6 K6 O21 -","3","0.5","","Kennard, M.A.; Dudik, M.J.; Smith, R.W.","Structure and properties of the noncentrosymmetric oxide borate K2 Ga2 O (B O3)2","Materials Research Bulletin","1997","32","","649","656","10.1016/S0025-5408(97)00030-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510735","8.779","","8.779","","3.983","","90","","90","","120","","265.847","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","K3 (Nb3 O6 (B O3)2)","","- B2 K3 Nb3 O12 -","- B2 K3 Nb3 O12 -","- B2 K3 Nb3 O12 -","1","0.0833333","","Becker, P.; Bohaty, L.; Schneider, J.","Refinement of the crystal structure of the high temperature phase of K3 (Nb3 O6 (B O3)2) by the Rietveld method","Kristallografiya","1997","42","","250","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510883","6.485","","9.165","","3.971","","90","","96.14","","90","","234.663","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Ba Cu (B2 O5)","","- B2 Ba Cu O5 -","- B2 Ba Cu O5 -","- B4 Ba2 Cu2 O10 -","2","0.5","","Keszler, D.A.; Smith, R.W.","Synthesis, structure and properties of the noncentrosymmetric pyroborate Ba Cu B2 O5","Journal of Solid State Chemistry","1997","129","","184","188","10.1006/jssc.1996.7204","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511123","9.173","","5.727","","7.349","","90","","90","","90","","386.071","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","In (B F4)","","- B F4 In -","- B F4 In -","- B4 F16 In4 -","4","0.5","","Mueller, B.G.; Fitz, H.","In B F4, das erste komplexe Fluorid mit Indium(I)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","579","582","10.1002/zaac.19976230190","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511192","2.81","","2.81","","13.96","","90","","90","","120","","95.462","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Li (Co0.95 B0.05 O2)","","- B0.05 Co0.95 Li O2 -","- B0.05 Co0.95 Li O2 -","- B0.15 Co2.85 Li3 O6 -","3","0.0833333","","Tirado, J.L.; Zhecheva, E.; Stoyanova, R.; Lavela, P.; Alcantara, R.","Structure and electrochemical properties of boron-doped Li Co O2","Journal of Solid State Chemistry","1997","134","","265","273","10.1006/jssc.1997.7552","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511224","6.7534","","6.7534","","6.7534","","90","","90","","90","","308.012","","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","Li2 Pd3 B","","- B Li2 Pd3 -","- B Li2 Pd3 -","- B4 Li8 Pd12 -","4","0.166667","","Eibenstein, U.; Jung, W.","Li2 Pd3 B and Li2 Pt3 B; ternary lithium borides of palladium and platinum with boron in octahedral coordination","Journal of Solid State Chemistry","1997","133","","21","24","10.1006/jssc.1997.7310","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511225","6.7552","","6.7552","","6.7552","","90","","90","","90","","308.258","","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","Li2 Pt3 B","","- B Li2 Pt3 -","- B Li2 Pt3 -","- B4 Li8 Pt12 -","4","0.166667","","Jung, W.; Eibenstein, U.","Li2 Pd3 B and Li2 Pt3 B; ternary lithium borides of palladium and platinum with boron in octahedral coordination","Journal of Solid State Chemistry","1997","133","","21","24","10.1006/jssc.1997.7310","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511259","6.8035","","6.8035","","6.6487","","90","","90","","120","","266.521","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Nd (B Si O5)","","- B Nd O5 Si -","- B Nd O5 Si -","- B3 Nd3 O15 Si3 -","3","0.5","","Shi, Y.; Liang, J.-K.; Yang, J.-L.; Zhuang, W.D.; Rao, G.-H.; Zhang, H.","Crystal structure and vibrational spectra studies of stillwellite compounds Nd B Si O5","Journal of Alloys Compd.","1997","259","","163","169","10.1016/S0925-8388(97)00100-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511268","3.8176","","3.8345","","10.9708","","90","","90","","90","","160.597","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Y Sr2 (Cu2.38 B0.62) O7","","- B0.62 Cu2.38 O7 Sr2 Y -","- B0.62 Cu2.38 O7 Sr2 Y -","- B0.62 Cu2.38 O7 Sr2 Y -","1","0.125","","Chapman, J.P.; Attfield, J.P.; Zhou, W.","A study of the upper limit of borate substitution in Ln Sr2 Cu3-x Bx O7 materials","Journal of Alloys Compd.","1997","261","","187","191","10.1016/S0925-8388(97)00227-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511284","3.776","","3.776","","8.806","","90","","90","","120","","108.736","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Y (B O3)","","- B O3 Y -","- B0.999 O2.999 Y -","- B1.998 O5.998 Y2 -","2","0.166667","","El Ghozzi, M.; Arbus, A.; Mahiou, R.; Cousseins, J.C.; Chadeyron, G.","Revised structure of the orthoborate Y B O3","Journal of Solid State Chemistry","1997","128","","261","266","10.1006/jssc.1996.7207","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511422","10.711","","10.747","","11.144","","103.59","","91.61","","109.59","","1166.68","","","","","","","","","","","","","3","P -1","-P 1","2","","Cs8 (B12 (B Se3)6)","","- B18 Cs8 Se18 -","- B18 Cs8 Se18 -","- B18 Cs8 Se18 -","1","0.5","","Conrad, O.; Krebs, B.; Kueper, J.","Selenoboratoborate: (B12 (B Se3)6)8 - Eine neue, ungewoehnliche Kombination bekannter Strukturelemente","Angewandte Chemie (Edition international)","1997","36","","1903","1904","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511499","9.86","","10.653","","6.649","","103.4","","101.4","","89.1","","665.653","","","","","","","","","","","","","3","P -1","-P 1","2","","Rb2 (B4 O7)","","- B4 O7 Rb2 -","- B4 O7 Rb2 -","- B16 O28 Rb8 -","4","2","","Bannova, I.I.; Bubnova, R.S.; Filatov, S.K.; Krizhizhanovskaya, M.G.","The crystal structure of Rb2 B4 O7","Kristallografiya","1997","42","","264","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511524","16.674","","17.667","","9.511","","90","","90","","90","","2801.75","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Y B41.818 Si1.145","","- B41.818 Si1.145 Y -","- B41.8185 Si1.1455 Y -","- B334.548 Si9.164 Y8 -","8","1","","Takami, M.; Ishizawa, Y.; Kobayashi, K.; Tanaka, T.; Higashi, I.","Crystal structure of Y B41 Si1.2","Journal of Solid State Chemistry","1997","133","","11","15","10.1006/jssc.1997.7307","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511676","8.7603","","8.6936","","12.3466","","90","","90","","90","","940.299","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Mn3 (B7 O13 I)","","- B7 I Mn3 O13 -","- B7 I Mn3 O13 -","- B28 I4 Mn12 O52 -","4","1","","Ritter, C.; Schobinger-Papamantellos, P.; Schmid, H.; Crottaz, O.; Suard, E.; Gentil, S.; Rivera, J.P.","Magnetic ordering of Mn3 B7 O13 X (X = Cl, Br, I) boracites determined by magnetic measurements and neutron diffraction","Ferroelectrics","1997","204","","45","55","10.1080/00150199708222187","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511697","18.1662","","3.6516","","13.9775","","90","","119.75","","90","","805","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Y16.86 (B O3)4 (B2 O5)2 O16","","- B8 O38 Y16.86 -","- B8 O38 Y16.864 -","- B8 O38 Y16.864 -","1","0.25","","You, L.-P.; Su, M.-Z.; Zhou, S.; Yang, L.-Q.; Lin, J.-H.; Yao, G.-Q.","Structure and luminescent properties of Y17.33 (B O3)4 (B2 O5)2 O16","Journal of Solid State Chemistry","1997","134","","158","163","10.1006/jssc.1997.7567","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511706","13.175","","13.175","","17.776","","90","","90","","120","","2672.18","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- B9 Br9 -","- B9 Br9 -","- B54 Br54 -","6","0.166667","","Burkhardt, A.; Kellner, R.; Wedig, U.; von Schnering, H.G.; Binder, H.; Grin', Yu.; Hoenle, W.; Schultheiss, M.","Syntheses, crystal structures, and electronic structure of the boron halides B9 X9 (X= Cl, Br, I)","Journal of Solid State Chemistry","1997","133","","59","67","10.1006/jssc.1997.7309","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1511707","12.596","","12.596","","17.001","","90","","90","","120","","2335.99","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- B9 Cl9 -","- B9 Cl9 -","- B54 Cl54 -","6","0.166667","","von Schnering, H.G.; Kellner, R.; Burkhardt, A.; Binder, H.; Wedig, U.; Grin', Yu.; Hoenle, W.; Schultheiss, M.","Syntheses, crystal structures, and electronic structure of the boron halides B9 X9 (X= Cl, Br, I)","Journal of Solid State Chemistry","1997","133","","59","67","10.1006/jssc.1997.7309","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1511773","3.996","0.001","23.193","0.005","29.483","0.006","90","","90","","90","","2732.5","1.1","","","292","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","bis(Dichloro-4,7-dihydro-5-methyl-7-oxo(1,2,4)triazolo(1,5a)pyrimidine- mercury) 4,7-dihydro-5-methyl-7-oxo(1,2,4)triazolo(1,5a)pyrimidine monohydrate","","- C18 H20 Cl4 Hg2 N12 O4 -","- C18 Cl4 Hg2 N12 O4 -","- C72 Cl16 Hg8 N48 O16 -","4","1","","Juan M. Salas; Jorge A.R. Navarro; M. Angustias Romero; Miguel Quirós","Mercury(II) Complexes of 4,7-Dihydro-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidine. Stabilization of Two Chemically Different Metal Coordination Environments by Hydrogen Bonding Assembly","Anales de Química, International Edition","1997","93","","55","59","","","","0.71073","MoKα","","","0.118","","","","0.281","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511775","7.239","0.001","15.209","0.003","7.56","0.001","90","","98.89","0.01","90","","822.3","0.2","","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena((μ~3~-4,5,6,7-Tetrahydro-5,7-dioxo-[1,2,4]triazolo-[1,5-a]pyrimidinato) -(μ~2~-aqua)-sodium monohydrate)","","- C5 H7 N4 Na O4 -","- C5 N4 Na O4 -","- C20 N16 Na4 O16 -","4","1","","Sonia Orihuela; M. Purificación Sánchez; Miguel Quirós; José Molina; René Faure","4,5,6,7-Tetrahydro-5,7-dioxo-[1,2,4]triazolo-[1,5-a]pyrimidine: Characterisation and Theoretical Study","Journal of Molecular Structure","1997","415","","285","292","10.1016/S0022-2860(97)00097-5","","","1.54178","CuKα","","","0.051","","","","0.066","","","","","","1.2","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513338","6.378","","7.454","","10.308","","75.26","","79.37","","88.16","","465.741","","","","","","","","","","","","","4","P -1","-P 1","2","","(Pb O)3 (Pb (S O4)) (H2 O)","","- H2 O8 Pb4 S -","- O8 Pb4 S -","- O16 Pb8 S2 -","2","1","","Richardson, J.W.jr.; Steele, I.M.; Pluth, J.J.","Crystal structure of tribasic lead sulfate (3(Pb O).(Pb S O4).(H2 O)) by X-rays and neutrons: an intermediate phase in the production of lead acid batteries","Journal of Solid State Chemistry","1997","132","","173","181","10.1006/jssc.1997.7440","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513966","8.2402","","8.2402","","8.2402","","90","","90","","90","","559.517","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium Dimanganese Tetraoxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li8 Mn16 O32 -","8","0.0416667","","Shimakawa, Y.; Numata, T.; Tabuchi, J.","Verwey-type transition and magnetic properties of the LiMn~2~O~4~ spinels","Journal of Solid State Chemistry","1997","131","1","138","143","10.1006/jssc.1997.7366","","","","","","","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1513980","2.806","0.001","4.55","0.002","5.747","0.002","90","","90","","90","","73.37","0.05","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Lithium Manganate(III)","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Greedan, J. E.; Raju, N. P.; Davidson, I. J.","Long range and short range magnetic order in orthorhombic Li Mn O2","Journal of Solid State Chemistry","1997","128","","209","214","10.1006/jssc.1996.7189","","","","","","0.016","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1513981","8.1594","0.0003","8.1594","0.0003","8.1594","0.0003","90","","90","","90","","543.22","0.03","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium Manganese Oxide (1.32/1.68/4)","","- Li1.32 Mn1.68 O4 -","- Li1.32 Mn1.68 O4 -","- Li10.56 Mn13.44 O32 -","8","0.0416667","","Takada, T.; Akiba, E.; Izumi, F.; Chakoumakos, B. C.","Structure refinement of Li4 Mn5 O12 with neutron and X-ray powder diffraction data","Journal of Solid State Chemistry","1997","130","","74","80","10.1006/jssc.1997.7282","","","","","","0.01","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1513982","8.1407","0.0006","8.1407","0.0006","8.1407","0.0006","90","","90","","90","","539.49","0.07","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium Manganese Oxide (1.34/1.66/4)","","- Li1.34 Mn1.66 O4 -","- Li1.34 Mn1.66 O4 -","- Li10.72 Mn13.28 O32 -","8","0.0416667","","Takada, T.; Akiba, E.; Izumi, F.; Chakoumakos, B. C.","Structure refinement of Li4 Mn5 O12 with neutron and X-ray powder diffraction data","Journal of Solid State Chemistry","1997","130","","74","80","10.1006/jssc.1997.7282","","","","","","0.007","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1513983","8.2692","0.0004","8.2468","0.0004","8.2205","0.0003","90","","90","","90","","560.59","0.04","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","Lithium Manganese Oxide (1.13/2/4)","","- Li1.13 Mn2 O4 -","- Li1.13 Mn2 O4 -","- Li9.04 Mn16 O32 -","8","0.25","","Sato, K.; Poojary, D. M.; Clearfield, A.; Kohno, M.; Inoue, Y.","The surface structure of the proton-exchanged lithium manganese oxide spinels and their lithium-ion sieve properties","Journal of Solid State Chemistry","1997","131","","84","93","10.1006/jssc.1997.7348","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1513984","8.2399","0.0001","8.2399","0.0001","8.2399","0.0001","90","","90","","90","","559.456","0.012","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Dimanganate(IV)","","- Li Mn2 O4 -","- Li0.999 Mn2 O4 -","- Li7.992 Mn16 O32 -","8","0.0416667","","Sigala, C.; Verbaere, A.; Mansot, J. L.; Guyomard, D.; Piffard, Y.; Tournoux, M.","The Cr-substituted spinel Mn oxides Li Cry Mn2-y O4 (0<y<1): Rietveld analysis of the structure modifications induced by the electrochemical lithium deintercalation","Journal of Solid State Chemistry","1997","132","","372","381","10.1006/jssc.1997.7476","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1513985","8.0575","0.0003","8.0575","0.0003","8.0575","0.0003","90","","90","","90","","523.12","0.03","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.04/2/4)","","- Li0.04 Mn2 O4 -","- Li0.04 Mn2 O4 -","- Li0.32 Mn16 O32 -","8","0.0416667","","Sigala, C.; Verbaere, A.; Mansot, J. L.; Guyomard, D.; Piffard, Y.; Tournoux, M.","The Cr-substituted spinel Mn oxides Li Cry Mn2-y O4 (0<y<1): Rietveld analysis of the structure modifications induced by the electrochemical lithium deintercalation","Journal of Solid State Chemistry","1997","132","","372","381","10.1006/jssc.1997.7476","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1513986","8.237","0.0003","8.237","0.0003","8.237","0.0003","90","","90","","90","","558.87","0.04","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.96/2/4)","","- Li0.961 Mn2 O4 -","- Li0.961 Mn2 O4 -","- Li7.688 Mn16 O32 -","8","0.0416667","","Sigala, C.; Verbaere, A.; Mansot, J. L.; Guyomard, D.; Piffard, Y.; Tournoux, M.","The Cr-substituted spinel Mn oxides Li Cry Mn2-y O4 (0<y<1): Rietveld analysis of the structure modifications induced by the electrochemical lithium deintercalation","Journal of Solid State Chemistry","1997","132","","372","381","10.1006/jssc.1997.7476","","","","","","0.104","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1513987","8.0445","","8.0445","","8.0445","","90","","90","","90","","520.592","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium Manganese Oxide (0.05/2/4)","","- Li0.05 Mn2 O4 -","- Li0.05 Mn2 O4 -","- Li0.4 Mn16 O32 -","8","0.0416667","","Cho, N. W.; Chang, S.; Sung, H. P.","Synthesis and crystal structure refinement of Li Mn(2-d) Ti(d) O4","RIST Yongu Nonmun (RIST Research Papers)","1997","11","","622","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1513988","8.2363","","8.2363","","8.2363","","90","","90","","90","","558.723","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium Manganese(III) Manganese(IV) Oxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li8 Mn16 O32 -","8","0.0416667","","Cho, N. W.; Chang, S.; Sung, H. P.","Synthesis and crystal structure refinement of Li Mn(2-d) Ti(d) O4","RIST Yongu Nonmun (RIST Research Papers)","1997","11","","622","628","","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1513989","8.229","","8.229","","8.229","","90","","90","","90","","557.239","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium Manganese Oxide (0.97/1.95/4)","","- Li0.971 Mn1.945 O4 -","- Li0.971 Mn1.945 O4 -","- Li7.768 Mn15.56 O32 -","8","0.0416667","","Ishikawa, Y.; Higuchi, S.","Structure analysis of some Li-metal double oxides","Toso Kenkyu Hokoku","1997","41","","35","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1513990","8.2325","","8.2325","","8.2325","","90","","90","","90","","557.95","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium Manganese Oxide (0.98/1.95/4)","","- Li0.981 Mn1.949 O4 -","- Li0.981 Mn1.949 O4 -","- Li7.848 Mn15.592 O32 -","8","0.0416667","","Ishikawa, Y.; Higuchi, S.","Structure analysis of some Li-metal double oxides","Toso Kenkyu Hokoku","1997","41","","35","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1513991","8.2234","","8.2234","","8.2234","","90","","90","","90","","556.102","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium Manganese Oxide (0.982/2.018/4)","","- Li0.982 Mn2.018 O4 -","- Li0.982 Mn2.018 O4 -","- Li7.856 Mn16.144 O32 -","8","0.0416667","","Ishikawa, Y.; Higuchi, S.","Structure analysis of some Li-metal double oxides","Toso Kenkyu Hokoku","1997","41","","35","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1513992","8.1866","","8.1866","","8.1866","","90","","90","","90","","548.669","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium Manganese Oxide (1.24/1.76/4)","","- Li1.237 Mn1.763 O4 -","- Li1.237 Mn1.763 O4 -","- Li9.896 Mn14.104 O32 -","8","0.0416667","","Ishikawa, Y.; Higuchi, S.","Structure analysis of some Li-metal double oxides","Toso Kenkyu Hokoku","1997","41","","35","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1513993","8.1561","","8.1561","","8.1561","","90","","90","","90","","542.56","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium Manganese Oxide (1.36/1.64/4)","","- Li1.361 Mn1.639 O4 -","- Li1.361 Mn1.639 O4 -","- Li10.888 Mn13.112 O32 -","8","0.0416667","","Ishikawa, Y.; Higuchi, S.","Structure analysis of some Li-metal double oxides","Toso Kenkyu Hokoku","1997","41","","35","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1513994","8.148","","8.148","","8.148","","90","","90","","90","","540.945","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium Manganese Oxide (1.35/1.63/4)","","- Li1.353 Mn1.626 O4 -","- Li1.353 Mn1.626 O4 -","- Li10.824 Mn13.008 O32 -","8","0.0416667","","Ishikawa, Y.; Higuchi, S.","Structure analysis of some Li-metal double oxides","Toso Kenkyu Hokoku","1997","41","","35","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1517677","5.506","","5.506","","5.506","","90","","90","","90","","166.92","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Sodium Yttrium Fluoride (0.38/0.61/2.35)","","- F2.35 Na0.39 Y0.61 -","- F2.346 Na0.39 Y0.61 -","- F9.384 Na1.56 Y2.44 -","4","0.0208333","","Zhurova, E.A.; Maksimov, B.A.; Hull, S.; Wilson, S.S.; Sobolev, B.P.; Simonov, V.I.","Defect structure of Na0.39 Y0.61 F2.22 crystals","Kristallografiya","1997","42","","277","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517678","5.5067","0.0004","5.5067","","5.5067","","90","","90","","90","","166.984","0.012","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Sodium Yttrium Fluoride (0.38/0.61/2.22)","","- F2.22 Na0.39 Y0.61 -","- F2.2208 Na0.39 Y0.61 -","- F8.8832 Na1.56 Y2.44 -","4","0.0208333","","Zhurova, E.A.; Maksimov, B.A.; Hull, S.; Wilson, S.S.; Sobolev, B.P.; Simonov, V.I.","Defect structure of Na0.39 Y0.61 F2.22 crystals","Kristallografiya","1997","42","","277","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519177","7.594","0.003","15.177","0.0012","31.13","0.02","90","","90","","90","","3588","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H15 Cl Fe O2 -","- C24 H1.61 Cl Fe O2 -","- C192 H12.88 Cl8 Fe8 O16 -","8","1","","Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.","C25H15ClFeO2","Crystal Structure Report Archive","1997","","","1039","","","","","0.71069","MoKα","","0.3225","0.0375","","","0.0572","0.106","","","","","","0.465","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519178","22.689","","10.283","","6.571","","90","","90","","90","","1533.09","","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","1","","Hibbs, D. E.; Hursthouse, Michael B.; Coles, Simon J.; Barkley, J. V.; Roberts, S. M.; Gregory, R. J. H.","7-Chloro-6-cyano-6-hydroxybicyclo(3.2.0)hept-2-ene","Crystal Structure Report Archive","1997","","","104","","","","","0.71069","MoKα","","0.1023","0.0474","","0.1028","0.0918","","","","0.64","0.917","0.917","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519179","6.09","0.001","8.114","0.002","18.467","0.004","101.11","0.03","95.3","0.03","106.29","0.03","849","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24 Br N O2 Si -","- C14 H24 Br N O2 Si -","- C28 H48 Br2 N2 O4 Si2 -","2","1","","Roberts, S. M.; Hursthouse, Michael B.; Coles, Simon J.; Barkley, J. V.; Gregory, R. J. H.; Hibbs, D. E.","2-Bromo-3-hydroxy-6-cyano-6-(t-butyldimethylsiloxy)bicyclo(3.2.0)heptane","Crystal Structure Report Archive","1997","","","105","","","","","0.71069","MoKα","","0.0515","0.0343","","0.0671","0.0643","","","","0.73","0.843","0.843","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519180","7.23","0.001","15.594","0.003","19.618","0.004","90","","90","","90","","2211.8","0.7","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Cl2 N4 -","- C10 H8 Cl2 N4 -","- C80 H64 Cl16 N32 -","8","1","","Blake, Alexander J.; Light, Mark E.; Hursthouse, Michael B.","C10H8Cl2N4","Crystal Structure Report Archive","1997","","","1206","","","","","0.71073","MoKα","","0.0815","0.0443","","","0.1025","0.1083","","","","","","0.903","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519181","7.594","0.003","15.177","0.0012","31.134","0.016","90","","90","","90","","3588","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H15 Cl Fe O2 -","- C24 H15 Cl Fe O2 -","- C192 H120 Cl8 Fe8 O16 -","8","1","","Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.","C24H15ClFeO2","Crystal Structure Report Archive","1997","","","1016","","","","","0.71069","MoKα","","0.3233","0.0375","","","0.0572","0.103","","","","","","0.465","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519182","11.817","0.002","5.983","0.0008","31.689","0.01","90","","97.34","0.04","90","","2222.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Hg N2 S4 -","- C14 H8 Hg N2 S4 -","- C84 H48 Hg6 N12 S24 -","6","1.5","","Sammon, C.; Raper, E. S.; Mansor, R.; Hursthouse, Michael B.; Hibbs, D. E.; Constable, C. P.; Coles, Simon J.; Bell, N. A.","bis(1,3-Benzothiazole-2-thiolato-S)-mercury(ii)","Crystal Structure Report Archive","1997","","","225","","","","","0.71069","MoKα","","0.0638","0.0459","","0.0997","0.0964","","","","0.94","1.038","1.038","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519183","10.7966","0.0008","17.6155","0.0006","17.888","0.005","90","","90","","90","","3402.1","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 Fe -","- C24 H18 Fe -","- C192 H144 Fe8 -","8","1","","Butler, Ian. R.; Coles, Simon J.; Hursthouse, Michael B.","C24H18Fe","Crystal Structure Report Archive","1997","","","765","","","","","0.71069","MoKα","","0.121","0.033","","0.0662","0.0501","","","","0.562","0.781","0.781","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519184","10.655","0.004","12.3456","0.0006","14.319","0.002","90","","103.142","0.011","90","","1834.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Br Fe Mo O6 -","- C17 H11 Br Fe Mo O6 -","- C68 H44 Br4 Fe4 Mo4 O24 -","4","1","","Butler, Ian. R.; Coles, Simon J.; Hursthouse, Michael B.","C17H11BrFeMoO6","Crystal Structure Report Archive","1997","","","766","","","","","0.71069","MoKα","","0.0586","0.0448","","0.1471","0.123","","","","0.912","1.023","1.023","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519185","8.028","0.003","10.396","0.002","24.955","0.002","90","","90","","90","","2082.7","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 Br N O -","- C26 H26 Br N O -","- C104 H104 Br4 N4 O4 -","4","1","","Pelter, Andy; Hibbs, Dai E.; Hursthouse, Michael B","C26H26BrNO","Crystal Structure Report Archive","1997","","","791","","","","","0.71069","MoKα","","0.1004","0.0327","","0.0584","0.0468","","","","0.47","0.654","0.654","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519186","7.52","0.005","13.984","0.004","21.53","0.002","102.71","0.03","93.44","0.08","94.76","0.02","2193.8","1.6","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 O8 -","- C28 H20 O8 -","- C112 H80 O32 -","4","2","","Gabbut, C.D.; Hepworth, John D.; Hibbs, Dai. E.; Hursthouse, Michael B.; Lamond, Steven J.","C28H20O8","Crystal Structure Report Archive","1997","","","792","","","","","0.71069","MoKα","","0.141","0.0485","","","0.0723","0.1039","","","","","","0.523","","","","has coordinates","188564","2020-10-21","18:00:00",""
"1519187","7.5921","0.0011","14.9902","0.0009","15.372","0.002","90","","90","","90","","1749.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Fe N2 -","- C22 H18 Fe N2 -","- C88 H72 Fe4 N8 -","4","1","","Tucker, J. H. R.; Hursthouse, Michael B.; Coles, Simon J.; Carr, J. D.","1-(2,2-bis(Pyrid-2-yl)ethenyl)ferrocene","Crystal Structure Report Archive","1997","","","90","","","","","0.71069","MoKα","","0.0541","0.0422","","0.0962","0.0937","","","","0.887","0.994","0.994","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519188","7.623","0.001","8.951","0.001","10.914","0.002","82.76","0.01","73.33","0.006","80.54","0.02","701.24","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10 Br2 Hg N2 S4 -","- C6 H10 Br2 Hg N2 S4 -","- C12 H20 Br4 Hg2 N4 S8 -","2","1","","Sammon, C.; Raper, E. S.; Mansor, R.; Hursthouse, Michael B.; Hibbs, D. E.; Constable, C. P.; Coles, Simon J.; Bell, N. A.","Dibromo-bis(1,3-thiazolidine-2-thione)-mercury(ii)","Crystal Structure Report Archive","1997","","","96","","","","","0.71069","MoKα","","0.0396","0.0372","","0.1008","0.1001","","","","1.035","1.081","1.081","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519189","11.817","0.002","5.983","0.0008","31.689","0.01","90","","97.34","0.04","90","","2222.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Hg N2 S4 -","- C14 H8 Hg N2 S4 -","- C84 H48 Hg6 N12 S24 -","6","1.5","","Sammon, C.; Raper, E. S.; Mansor, R.; Hibbs, D. E.; Constable, C. P.; Bell, N. A.; Coles, Simon J.; Hursthouse, Michael B.","bis(1,3-Benzothiazole-2-thiolato-S)-mercury(ii)","Crystal Structure Report Archive","1997","","","97","","","","","0.71069","MoKα","","0.0638","0.0459","","","0.0963","0.0996","","","","","","0.944","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1521301","5.316","","5.316","","9.719","","90","","90","","120","","237.86","","","","","","","","","","","","","6","P -3 1 m","-P 3 2","162","","(Cu1.78 Mg0.22) (Mg0.54 Fe0.46) Te O6 (H2 O)6","","- Cu1.78 Fe0.46 H12 Mg0.76 O12 Te -","- Cu1.78 Fe0.46 Mg0.76 O12 Te -","- Cu1.78 Fe0.46 Mg0.76 O12 Te -","1","0.0833333","","Margison, S.M.; Grice, J.D.; Groat, L.A.","The crystal structure of leisingite, (Cu(2+), Mg, Zn)2 (Mg, Fe) Te(6+) O6 . 6(H2 O)","Canadian Mineralogist","1997","35","","759","763","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523956","19.865","","11.469","","9.94","","90","","109.02","","90","","2141.01","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Ba8 Cu2 O54 Ti22","","- Ba6 Cu1.328 O49 Ti16.176 -","- Ba6 Cu1.328 O49 Ti16.176 -","- Ba12 Cu2.656 O98 Ti32.352 -","2","0.25","","Adams, R.D.; Layland, R.C.","A barium coppper titanate. The synthesis and structural characterization of Ba8 Cu2 Ti22 O54","Polyhedron","1997","16","","2105","2108","","","","","","","","","","","","","","","","","","","","","","has coordinates","144586","2020-10-21","18:00:00",""
"1526364","6.1885","","6.1885","","6.1885","","90","","90","","90","","237.004","","","","","","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","Si C2 N4","","- C2 N4 Si -","- C2 N4 Si -","- C4 N8 Si2 -","2","0.0416667","","Riedel, R.; Greiner, A.; Aldinger, F.; Bill, J.; Miehe, G.; Fuess, H.; Dressler, W.","The first crystalline solids in the ternary Si - C - N system","Angewandte Chemie (Edition international)","1997","36","","603","606","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526366","5.44","","13.58","","4.81","","90","","90","","90","","355.34","","","","","","","","","","","","","3","A b a 2","A 2 -2ab","41","","Si2 C N4","","- C N4 Si2 -","- C N4 Si2 -","- C4 N16 Si8 -","4","","","Riedel, R.; Greiner, A.; Aldinger, F.; Dressler, W.; Miehe, G.; Fuess, H.; Bill, J.","The first crystalline solids in the ternary Si - C - N system","Angewandte Chemie (Edition international)","1997","36","","603","606","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534940","11.987","","10.72","","15.639","","90","","100.8","","90","","1974.03","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","(Se4 Te3) (W O Cl4)2","","- Cl8 O2 Se4 Te3 W2 -","- Cl8 O2 Se4 Te3 W2 -","- Cl32 O8 Se16 Te12 W8 -","4","1","","Beck, J.; Schloerb, T.","Polymers in the form of linked rings - a novel type of structures for chalcogen polycations. The crystal structures of (Se4.85 Te3.15) (W O Cl4)2 and (Se4 Te3) (W O Cl4)2","Phosphorus, Sulfur, Silicon and Related Elements","1997","124","","125","305","","","","","","","","","","","","","","","","","","","","","","has coordinates","162021","2020-10-21","18:00:00",""
"1534944","7.821","","15.49","","18.247","","90","","90","","90","","2210.57","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Se4.85 Te3.152) (W O Cl4)2","","- Cl8 O2 Se4.85 Te3.152 W2 -","- Cl8 O2 Se4.85 Te3.15 W2 -","- Cl32 O8 Se19.4 Te12.6 W8 -","4","1","","Beck, J.; Schloerb, T.","Polymers in the form of linked rings - a novel type of structures for chalcogen polycations. The crystal structures of (Se4.85 Te3.15) (W O Cl4)2 and (Se4 Te3) (W O Cl4)2","Phosphorus, Sulfur, Silicon and Related Elements","1997","124","","125","305","","","","","","","","","","","","","","","","","","","","","","has coordinates","162026","2020-10-21","18:00:00",""
"1535074","12.158","","10.7","","12.671","","90","","92.03","","90","","1647.34","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","K7 Na (Ta6 O19) (H2 O)14","","- H28 K7 Na O33 Ta6 -","- K7 Na O33 Ta6 -","- K14 Na2 O66 Ta12 -","2","1","","Hartl, H.; Pickhard, F.","Die Kristallstrukturen von K8 Ta6 O19 . 16(H2 O) und K7 Na Ta6 O19 . 14(H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","1311","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537606","12.006","","16.809","","18.685","","90","","95.519","","90","","3753.32","","","","","","","","","","","","","4","I 1 a 1","I -2ya","9","","K8 (Ta6 O19) (H2 O)16","","- H32 K8 O35 Ta6 -","- K8 O35 Ta6 -","- K32 O140 Ta24 -","4","1","","Hartl, H.; Pickhard, F.","Die Kristallstrukturen von K8 Ta6 O19 . 16(H2 O) und K7 Na Ta6 O19 . 14(H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","1311","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1539450","8.253","","6.4122","","13.789","","90","","90","","90","","729.712","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cu4 (As O4)2 O","","- As2 Cu4 O9 -","- As2 Cu4 O9 -","- As8 Cu16 O36 -","4","0.5","","Adams, R.D.; Layland, R.C.; Payen, C.","The synthesis, crystal structure and magnetic properties of Cu4 (As O4)2 (O) and Ba2 Cu7 (As O4)6","Chem. Ber./Recueil","1997","130","","63","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","168370","2020-10-21","18:00:00",""
"1539453","8.42","","11.42","","5.2097","","90.28","","93.6","","89.12","","499.895","","","","","","","","","","","","","4","P -1","-P 1","2","","Ba2 Cu7 (As O4)6","","- As6 Ba2 Cu7 O24 -","- As6 Ba2 Cu7 O24 -","- As6 Ba2 Cu7 O24 -","1","0.5","","Adams, R.D.; Layland, R.C.; Payen, C.","The synthesis, crystal structure and magnetic properties of Cu4 (As O4)2 (O) and Ba2 Cu7 (As O4)6","Chem. Ber./Recueil","1997","130","","63","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","168373","2020-10-21","18:00:00",""
"1539628","12.8013","","12.8013","","21.4119","","90","","90","","120","","3038.74","","","","","","","","","","","","","9","P 3 1 c","P 3 -2c","159","","(Na17.28 K4.72 Ca2) Ca8 (Si24 Al24 O96) (S O4)6 Cl5.8 F0.18","","- Al24 Ca10 Cl5.8 F0.18 K4.72 Na17.28 O120 S6 Si24 -","- Al24 Ca10.004 Cl5.8 F0.18 K4.716 Na17.28 O119.999 S6 Si24 -","- Al24 Ca10.004 Cl5.8 F0.18 K4.716 Na17.28 O119.999 S6 Si24 -","1","0.166667","","Ballirano, P.; Bonaccorsi, E.; Maras, A.; Merlino, S.","Crystal structure of afghanite, the eight-layer member of the cancrinite-group: evidence for long-range Si, Al ordering","European Journal of Mineralogy (1,1989-)","1997","9","","21","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","168597","2020-10-21","18:00:00",""
"1539670","11.745","","14.96","","10.831","","95.67","","116.19","","98.19","","1662.03","","","","","","","","","","","","","4","P -1","-P 1","2","","Nb2 (Se2)2 (Te I3)4","","- I12 Nb2 Se4 Te4 -","- I12 Nb2 Se4 Te4 -","- I24 Nb4 Se8 Te8 -","2","1","","Fedin, V.P.; Fedorov, V.E.; Imoto, H.; Daito, T.","Synthesis and structure of Nb2 (mue-Se2)2 (Te2 I6)2","Polyhedron","1997","16","","995","998","","","","","","","","","","","","","","","","","","","","","","has coordinates","168655","2020-10-21","18:00:00",""
"1539674","9.699","","6.299","","7.966","","94.62","","103.36","","103.17","","456.471","","","","","","","","","","","","","3","P -1","-P 1","2","","Cu (Mo O4)","","- Cu Mo O4 -","- Cu Mo O4 -","- Cu6 Mo6 O24 -","6","3","","Ehrenberg, H.; Wiesmann, M.; Paulus, H.; Weitzel, H.; Wltschek, G.; Geselle, M.; Fuess, H.","Crystal structure and magnetic properties of Cu Mn O4 at low temperature (gamma phase)","Journal of Physics and Chemistry of Solids","1997","58","","153","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539771","11.851","","17.799","","17.433","","90","","104.91","","90","","3553.44","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Te4 (Cr (C O)5)4)","","- C20 Cr4 O20 Te4 -","- C20 Cr4 O20 Te4 -","- C80 Cr16 O80 Te16 -","4","1","","Blacque, O.; Brunner, H.; Wachter, J.; Kubicki, M.M.; Stubenhofer, B.; Nuber, B.; Wrackmeyer, B.","Coordinative stabilization of cyclo-tetratellurium as (Te4 (Cr (C O)5)4): The first organometallic derivative of a tellurium allotrope","Angewandte Chemie (Edition international)","1997","35","","352","353","","","","","","","","","","","","","","","","","","","","","","has coordinates","168794","2020-10-21","18:00:00",""
"1539839","9.208","","9.208","","17.095","","90","","90","","120","","1255.25","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Cs2 U (O3 Cl9 (Nb Cl)6)","","- Cl15 Cs2 Nb6 O3 U -","- Cl15 Cs2 Nb6 O3 U -","- Cl30 Cs4 Nb12 O6 U2 -","2","0.166667","","Cordier, S.; Sergent, M.; Perrin, C.","New series of niobium oxychlorides, M2 RE Nb6 Cl15 O3 (M= monovalent cation, RE= rare earth) and M2 U Nb6 Cl15 O3. The crystal structure of Cs2 U Nb6 Cl15 O3","Materials Research Bulletin","1997","32","","25","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539865","8.8386","","8.8386","","22.286","","90","","90","","120","","1507.75","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Cd0.5 Zr2 (P O4)3","","- Cd0.5 O12 P3 Zr2 -","- Cd0.5 O12 P3 Zr2 -","- Cd3 O72 P18 Zr12 -","6","0.333333","","Brochu, R.; Serghini, A.; Louer, M.; El-Yacoubi, M.; Alami, M.; Louer, D.","Crystal chemistry and thermal expansion of Cd0.5 Zr2 (P O4) and Cd0.25 Sr0.25 Zr2 (P O4)3 ceramics","Materials Research Bulletin","1997","32","","15","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","168946","2020-10-21","18:00:00",""
"1539867","8.0066","","8.0066","","22.566","","90","","90","","120","","1252.8","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","K Ge2 (P O4)3","","- Ge2 K O12 P3 -","- Ge2 K O12 P3 -","- Ge12 K6 O72 P18 -","6","0.333333","","Brochu, R.; Louer, M.; Alami, M.; Alqaraoui, M.; Louer, D.","Structure and thermal expansion of K Ge (P O4)3","Materials Research Bulletin","1997","32","","113","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539968","5.347","","7.284","","5.132","","109.15","","97.9","","106.52","","175.051","","","","","","","","","","","","","5","P -1","-P 1","2","","Li Fe (P O4) (O H)","","- Fe H Li O5 P -","- Fe1.00195 H Li O5 P -","- Fe2.0039 H2 Li2 O10 P2 -","2","1","","Yakubovich, O.V.; Urusov, V.S.","The crystal structure and electron density of Fe2+ bearing tavorite in relation to the genetic crystal chemistry of secondary phosphates of lithium pegmatites","Geokhimiya","1997","1997","","720","729","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540281","12.344","","22.434","","13.924","","90","","90","","90","","3855.91","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Cs2 (Gd10 (C2)2) Cl19","","- C4 Cl19 Cs2 Gd10 -","- C4 Cl19 Cs2 Gd10 -","- C16 Cl76 Cs8 Gd40 -","4","0.5","","Liess, H.; Steffen, F.; Meyer, G.","Qauternary chlorides and bromides with interstitially stabilized double octahedra, A2 (Gd10 (C2)2) Cl19 (A= Rb, Cs), A2 (Gd10 (C2)2) Br10 (A= K, Rb), Rb2 (Tb10 (C2)2) Br19, and K2 (Gd10 (C2)2) Br20","Journal of Alloys Compd.","1997","246","","242","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","169531","2020-10-21","18:00:00",""
"1540283","17.121","","13.186","","20.644","","90","","90","","90","","4660.54","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","K2 (Gd10 (C2)2) Br20","","- C4 Br20 Gd10 K2 -","- C4 Br20 Gd10 K2 -","- C16 Br80 Gd40 K8 -","4","0.5","","Liess, H.; Steffen, F.; Meyer, G.","Qauternary chlorides and bromides with interstitially stabilized double octahedra, A2 (Gd10 (C2)2) Cl19 (A= Rb, Cs), A2 (Gd10 (C2)2) Br10 (A= K, Rb), Rb2 (Tb10 (C2)2) Br19, and K2 (Gd10 (C2)2) Br20","Journal of Alloys Compd.","1997","246","","242","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","169533","2020-10-21","18:00:00",""
"1541021","23.465","","4.877","","9.691","","90","","102.81","","90","","1081.42","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Na4 (Te4 O10)","","- Na4 O10 Te4 -","- Na4 O10 Te4 -","- Na16 O40 Te16 -","4","0.5","","Tagg, S.L.; Huffman, J.C.; Zwanziger, J.W.","Crystal structure of sodium ditellurite, Na4 Te4 O10","Acta Chemica Scandinavica (43,1989-)","1997","51","","118","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","172227","2020-10-21","18:00:00",""
"1541035","7.685","","7.376","","10.468","","90","","104.16","","90","","575.345","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Zn (H2 P O2)2 (H2 O)","","- H6 O5 P2 Zn -","- H6 O5 P2 Zn -","- H24 O20 P8 Zn4 -","4","1","","Tanner, P.A.; Mak, T.C.W.; Liu, Y.-L.","Synthesis, crystal structure and vibrational spectra of zinc hypophosphites","Polyhedron","1997","16","","495","505","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544371","4.79","0.003","4.79","0.003","4.344","0.003","90","","90","","120","","86.32","0.1","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","Mg1.24Si1.76H2.48O6 phase G (D)","","phase D","- H2.48 Mg1.24 O6 Si1.76 -","- Mg1.24 O6 Si1.76 -","- Mg1.24 O6 Si1.76 -","1","0.0833333","","Kudoh, Y.; Nagase, T.; Mizohata, H.; Ohtani, E.; Sasaki, S.; Tanaka, M.","Structure and crystal chemistry of phase G, a new hydrous magnesium silicate synthesized at 22 GPa and 1050 C","Geophysical Research Letters","1997","24","","1051","1054","","","","","","","","","","","","","","","","","","","","","","has coordinates","187619","2020-10-21","18:00:00",""
"1544431","3.895","0.0002","3.895","0.0002","25.835","0.0002","90","","90","","90","","391.94","0.03","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","NaLaTa2O7 1.9H2O","","","- H3.8 La Na O8.9 Ta2 -","- La Na O8.9 Ta2 -","- La2 Na2 O17.8 Ta4 -","2","0.0625","","Toda, K.; Uematsu, K.; Sato, M.","Structure determination of new layered perovskite compound, NaLaTa2O7, synthesized by ion-exchange reaction","Journal of the Ceramic Society of Japan","1997","105","","482","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","187737","2020-10-21","18:00:00",""
"1544432","3.8955","0.0004","3.8955","0.0004","21.436","0.002","90","","90","","90","","325.29","0.06","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","NaLaTa2O7","","","- La Na O7 Ta2 -","- La Na O7 Ta2 -","- La2 Na2 O14 Ta4 -","2","0.0625","","Toda, K.; Uematsu, K.; Sato, M.","Structure determination of new layered perovskite compound, NaLaTa2O7, synthesized by ion-exchange reaction","Journal of the Ceramic Society of Japan","1997","105","","482","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","187738","2020-10-21","18:00:00",""
"1544669","9.741","0.001","8.847","0.001","5.306","0.001","90","","106.96","0.01","90","","437.38","0.11","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Ca(Mg0.55Fe3+0.34Al0.11)(Si1.55Al0.42Fe3+0.03)O6","","ferrian aluminian diopside","- Al0.53 Ca Fe0.37 Mg0.55 O6 Si1.55 -","- Al0.5 Ca Fe0.4 Mg0.55 O6 Si1.55 -","- Al2 Ca4 Fe1.6 Mg2.2 O24 Si6.2 -","4","0.5","","Okui, M.; Marumo, F.; Sawada, H.; Ueki, M.; Ishizawa, N.","Site confirmation of Fe3+ in a synthetic ferrian aluminian diopside with an application of X-ray anomalous dispersion","Mineralogical Journal","1997","19","","165","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","188686","2020-10-21","18:00:00",""
"1546582","13.521","0","7.253","0.002","9.439","0.009","90","","90","","90","","925.7","0.9","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cs2 O8 P2 Ti -","- Cs2 O8 P2 Ti -","- Cs8 O32 P8 Ti4 -","4","0.5","","Daidouh, Abdelaali; Veiga, M. L.; Pico, C.","Structure determination of the new layered compound Cs2TiP2O8 and ionic conductivity of Cs2MP2O8 (M = Ti, V)","Solid State Ionics","1997","104","","285","294","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","0.087","","","","4.46","","","","has coordinates","198892","2020-10-21","18:00:00",""
"1550389","2.812","0.001","2.812","0.001","14.437","0.006","90","","90","","120","","98.86","0.06","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li0.37 O2 -","- Co Li0.37 O2 -","- Co3 Li1.11 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.123","1.28","","","","","","","has coordinates","212878","2020-10-21","18:00:00",""
"1550390","2.8149","0.0006","2.8149","0.0006","14.3429","0.0003","90","","90","","120","","98.42","0.03","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li0.42 O2 -","- Co Li0.39 O2 -","- Co3 Li1.17 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.128","1.12","","","","","","","has coordinates","212879","2020-10-21","18:00:00",""
"1550391","2.8127","0.0001","2.8127","0.0001","14.3151","0.0008","90","","90","","120","","98.078","0.007","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li0.48 O2 -","- Co Li0.46 O2 -","- Co3 Li1.38 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.061","1.34","","","","","","","has coordinates","212880","2020-10-21","18:00:00",""
"1550392","2.8127","0.0001","2.8127","0.0001","14.2754","0.0005","90","","90","","120","","97.806","0.006","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li0.5 O2 -","- Co Li0.48 O2 -","- Co3 Li1.44 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.063","1.44","","","","","","","has coordinates","212881","2020-10-21","18:00:00",""
"1550393","2.8145","0.0001","2.8145","0.0001","14.2475","0.0007","90","","90","","120","","97.74","0.007","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li0.58 O2 -","- Co Li0.53 O2 -","- Co3 Li1.59 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.078","1.27","","","","","","","has coordinates","212882","2020-10-21","18:00:00",""
"1550394","2.8165","0.0001","2.8165","0.0001","14.093","0.0004","90","","90","","120","","96.817","0.006","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li0.79 O2 -","- Co Li0.84 O2 -","- Co3 Li2.52 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.044","1.28","","","","","","","has coordinates","212883","2020-10-21","18:00:00",""
"1550395","2.8175","0.0001","2.8175","0.0001","14.0598","0.0005","90","","90","","120","","96.658","0.006","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li0.89 O2 -","- Co Li0.92 O2 -","- Co3 Li2.76 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.083","1.29","","","","","","","has coordinates","212884","2020-10-21","18:00:00",""
"1550396","2.8178","0.0001","2.8178","0.0001","14.0621","0.0004","90","","90","","120","","96.694","0.006","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li0.98 O2 -","- Co Li1.02 O2 -","- Co3 Li3.06 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.063","1.11","","","","","","","has coordinates","212885","2020-10-21","18:00:00",""
"1550397","2.8185","0.0001","2.8185","0.0001","14.0664","0.0002","90","","90","","120","","96.772","0.005","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li O2 -","- Co Li O2 -","- Co3 Li3 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.039","1.04","","","","","","","has coordinates","212886","2020-10-21","18:00:00",""
"1550398","2.8176","0.0001","2.8176","0.0001","14.061","0.0004","90","","90","","120","","96.673","0.006","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li1.16 O2 -","- Co Li0.99 O2 -","- Co3 Li2.97 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.061","1.09","","","","","","","has coordinates","212887","2020-10-21","18:00:00",""
"1550399","2.8503","0.0006","2.8503","0.0006","14.139","0.003","90","","90","","120","","99.48","0.04","","","","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","Lithium Cobalt Oxide","","- Co Li1.43 O2 -","- Co Li1.72 O2 -","- Co3 Li5.16 O6 -","3","0.0833333","","Rosolen JM; Ballirano P; Berrettoni M; Decker F; Gregorkiewitz M","Structural Assessment of the Electrochemical Performance of LixCoO2 Membrane Electrodes by X-Ray Diffraction and Absorpion Refinements","Ionics","1997","3","","345","354","","powder diffraction","","1.5406","CuKα","","","","","","","","","0.067","1.26","","","","","","","has coordinates","212888","2020-10-21","18:00:00",""
"1557048","8.626","0.003","9.361","0.001","9.385","0.001","66.02","0.05","71.95","0.06","86.7","0.03","656.3","0.4","","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H40 N6 O16 -","- C14 N6 O16 -","- C14 N6 O16 -","1","0.5","","Roman, Pascual; Guzman-Miralles, Carmen; Luque, Antonio; Beitia, Javier I.","Synthesis, Crystal Structure and Thermal Behaviour of the Diethylenetriammonium Oxalate-Water (1/4), (H3dien)2(ox)3.4H2O","Acta Chemica Scandinavica","1997","51","","13","18","10.3891/acta.chem.scand.51-0013","","x-ray","0.71069","MoKα","","","0.072","","","0.085","","","","","","","1.2","","","","has coordinates","246865","2020-10-21","18:00:00",""
"1557070","28.008","0.005","6.738","0.003","7.291","0.002","90","","90","","90","","1375.9","0.8","","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","N(6),N(6)-Dimethyladeninium trichloroacetate","","","- C9 H10 Cl3 N5 O2 -","- C9 Cl3 N5 O2 -","- C36 Cl12 N20 O8 -","4","0.5","","Dahl, Tor; Rasmussen, Inge","Crystal Structures of N(6),N(6)-Dimethyladeninium Trichloroacetate and N(6)-Methyladeninium Dinitrate.","Acta Chemica Scandinavica","1997","51","","19","23","10.3891/acta.chem.scand.51-0019","","x-ray","1.5418","CuKα","","","0.068","","","0.069","","","","","","","","","","","has coordinates","247015","2020-10-21","18:00:00",""
"1557071","6.428","0.002","20.269","0.002","16.918","0.002","90","","98.56","0.02","90","","2179.7","0.8","","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N(6)-Methyladeninium dinitrate","","","- C6 H9 N7 O6 -","- C6 N7 O6 -","- C48 N56 O48 -","8","2","","Dahl, Tor; Rasmussen, Inge","Crystal Structures of N(6),N(6)-Dimethyladeninium Trichloroacetate and N(6)-Methyladeninium Dinitrate.","Acta Chemica Scandinavica","1997","51","","19","23","10.3891/acta.chem.scand.51-0019","","x-ray","1.5418","CUKα","","","0.054","","","0.059","","","","","","","","","","","has coordinates","247016","2020-10-21","18:00:00",""
"1557072","10.466","0.009","16.361","0.009","17.645","0.007","90","","105.59","0.04","90","","2910","3","","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 Cl5 Li O5 Zr -","- C20 Cl5 Li O5 Zr -","- C80 Cl20 Li4 O20 Zr4 -","4","1","","Polamo, Mika; Leskela, Markku","Formation of Tetrahydrofuran Adducts of LiZrCl5 in the Reaction of Li(NPh2) and ZrCl4: Crystal Structures of [Li(thf)4][ZrCl5(thf)] and Li(thf)3-mu-Cl-ZrCl4(thf).","Acta Chemica Scandinavica","1997","51","","44","48","10.3891/acta.chem.scand.51-0044","","x-ray","0.71073","MoKα","","0.0942","0.0695","","","0.1711","0.1862","","","","","","1.011","","","","has coordinates","247017","2020-10-21","18:00:00",""
"1557073","11.32","0.006","17.686","0.007","13.622","0.009","90","","90.37","0.05","90","","2727","3","","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 Cl5 Li O4 Zr -","- C16 Cl5 Li O4 Zr -","- C64 Cl20 Li4 O16 Zr4 -","4","1","","Polamo, Mika; Leskela, Markku","Formation of Tetrahydrofuran Adducts of LiZrCl5 in the Reaction of Li(NPh2) and ZrCl4: Crystal Structures of [Li(thf)4][ZrCl5(thf)] and Li(thf)3-mu-Cl-ZrCl4(thf).","Acta Chemica Scandinavica","1997","51","","44","48","10.3891/acta.chem.scand.51-0044","","x-ray","0.71073","MoKα","","0.0451","0.0391","","","0.0875","0.0904","","","","","","1.039","","","","has coordinates","247018","2020-10-21","18:00:00",""
"1557074","24.213","0.011","7.916","0.008","20.432","0.009","90","","112.01","0.03","90","","3631","4","","","193","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Hf N8 -","- C44 Hf N8 -","- C176 Hf4 N32 -","4","0.5","","Polamo, Mika; Leskela, Markku","Synthesis and Crystal Structure of an 8-Coordinated Tetrakis[2-(phenylamido)pyridine]hafnium(IV) and Comparison with a 4-Coordinated Tetrakis(diphenylamido)hafnium(IV)","Acta Chemica Scandinavica","1997","51","","69","72","10.3891/acta.chem.scand.51-0069","","x-ray","0.71073","MoKα","","0.0893","0.0878","","","0.2417","0.2442","","","","","","1.153","","","","has coordinates","247021","2020-10-21","18:00:00",""
"1557076","6.097","0.002","10.29","0.002","11.188","0.002","73.23","0.01","86.8","0.02","83.91","0.03","668","0.3","","","166","","","","","","","","","4","P -1","-P 1","2","1-methoxy-6-nnethyl-c-6-nitro-r-3-trinitromethylcyclohexa-1,4-diene","","","- C9 H10 N4 O9 -","- C9 N4 O9 -","- C18 N8 O18 -","2","1","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Timmerman-Vaughan, David J.","Photochemical Nitration by Tetranitromethane. Part XXXVII. Adduct Formation and the Regiochemistry of Attack of Trinitromethanide Ion on Radical Cations in the Photochemical Reactions of 2-Methyl-, 2,3-Dimethyl- and 2,4-Dimethylanisoles","Acta Chemica Scandinavica","1997","51","","73","87","10.3891/acta.chem.scand.51-0073","","x-ray","0.71069","MoKα","","","0.054","","","","0.13","","","","","","","","","","has coordinates","247055","2020-10-21","18:00:00",""
"1557077","7.662","0.001","20.359","0.006","11.642","0.002","90","","117.6","0.2","90","","1609","3","","","104","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Aquadinitrato-(2,9-dimethy1-1,10-phenanthroline)copper(II)","","","- C14 H14 Cu N4 O7 -","- C14 Cu N4 O7 -","- C56 Cu4 N16 O28 -","4","1","","Heldal, H. E.; Sletten, J.","Crystal Structure of Aquadinitrato(2,9-dimethyl-1,10-phenanthroline)copper(II)","Acta Chemica Scandinavica","1997","51","","122","124","10.3891/acta.chem.scand.51-0122","","x-ray","0.71073","MoKα","","","0.048","","","0.049","","","","","","","1.274","","","","has coordinates","247057","2020-10-21","18:00:00",""
"1557078","6.176","0.001","9.413","0.001","9.79","0.001","90","","93.7","0.1","90","","567.95","0.14","","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Na2 O6 Si2 Zn -","- Na2 O6 Si2 Zn -","- Na8 O24 Si8 Zn4 -","4","0.5","","Grins, Jekabs; Werner, Per-Erik; Kanno, Yoshinori","Determination of the Substructure of Na2ZnSi2O6, Synthesized in the Solid State","Acta Chemica Scandinavica","1997","51","","259","263","10.3891/acta.chem.scand.51-0259","","x-ray","1.5418","CuKα","","","","","","","","0.099","","","","","6","","","","has coordinates","247058","2020-10-21","18:00:00",""
"1557102","7.193","0.005","10.368","0.005","13.823","0.005","90","","91.47","0.005","90","","1030.5","0.9","","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Diammonium Uranyl Selenite Hemihydrate","","","- H9 N2 O8.5 Se2 U -","- N2 O8.5 Se2 U -","- N8 O34 Se8 U4 -","4","1","","Koskenlinna, Markus; Mutikainen, Ilpo; Leskela, Tuula; Leskela, Markku","Low-Temperature Crystal Structures and Thermal Decomposition of Uranyl Hydrogen Selenite Monohydrate, UO2(HSeO3)2.H2O and Diammonium Uranyl Selenite Hemihydrate, (NH4)2UO2(SeO3)2.0.5H2O","Acta Chemica Scandinavica","1997","51","","264","269","10.3891/acta.chem.scand.51-0264","","x-ray","0.71069","MoKα","","","0.081","","","0.202","","","","","","","1.014","","","","has coordinates","247086","2020-10-21","18:00:00",""
"1557103","9.924","0.005","12.546","0.005","6.324","0.005","90","","98.09","0.005","90","","779.5","0.8","","","193","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Uranyl Hydrogen Selenite Monohydrate","","","- H4 O9 Se2 U -","- O9 Se2 U -","- O36 Se8 U4 -","4","0.5","","Koskenlinna, Markus; Mutikainen, Ilpo; Leskela, Tuula; Leskela, Markku","Low-Temperature Crystal Structures and Thermal Decomposition of Uranyl Hydrogen Selenite Monohydrate, UO2(HSeO3)2.H2O and Diammonium Uranyl Selenite Hemihydrate, (NH4)2UO2(SeO3)2.0.5H2O","Acta Chemica Scandinavica","1997","51","","264","269","10.3891/acta.chem.scand.51-0264","","x-ray","0.71069","MoKα","","","0.043","","","0.105","","","","","","","1.057","","","","has coordinates","247087","2020-10-21","18:00:00",""
"1557104","10.964","0.002","12.735","0.003","12.329","0.002","90","","95.26","0.03","90","","1714.2","0.6","","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 Ni O2 -","- C20 N2 Ni O2 -","- C80 N8 Ni4 O8 -","4","2","","Wojtczak, A.; Szlyk, E.; Jaskolski, M.; Larsen, E.","An Optically Active Nickel(II) Schiff Base Coordination Compound N,N'-(1R,2R)-(-)-1,2-Cyclohexylenebis(salicylideneiminato)nickel(II)","Acta Chemica Scandinavica","1997","51","","274","278","10.3891/acta.chem.scand.51-0274","","x-ray","0.71069","MoKα","","0.0453","0.0351","","","0.0357","0.0404","","","","","","3.24","","","","has coordinates","247088","2020-10-21","18:00:00",""
"1557133","15.648","0.003","9.157","0.001","9.215","0.002","90","","111.94","","90","","1224.8","0.4","","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","trans-Dichlorobis(tetrahydrothiophene)palladium(II)","","","- C8 H16 Cl2 Pd S2 -","- C8 H16 Cl2 Pd S2 -","- C32 H64 Cl8 Pd4 S8 -","4","0.5","","Noren, Bertil; Oskarsson, Ake; Svensson, Christer","cis/trans Influences on Bond Distances in Square-Planar Complexes. Crystal Structures of trans-Dichlorobis(tetrahydrothiophene)palladium(II) and trans-Dichlorobis(tetrahydrothiophene)platinum(II)","Acta Chemica Scandinavica","1997","51","","289","293","10.3891/acta.chem.scand.51-0289","","x-ray","0.70926","MoKα","","","0.0213","","","0.0344","","","","","","","0.647","","","","has coordinates","247114","2020-10-21","18:00:00",""
"1557134","15.62","0.004","9.146","0.002","9.255","0.002","90","","111.98","0.02","90","","1226.1","0.5","","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","trans-Dichlorobis(tetrahydrothiophene)platinum(II)","","","- C8 H16 Cl2 Pt S2 -","- C8 Cl2 Pt S2 -","- C32 Cl8 Pt4 S8 -","4","0.5","","Noren, Bertil; Oskarsson, Ake; Svensson, Christer","cis/trans Influences on Bond Distances in Square-Planar Complexes. Crystal Structures of trans-Dichlorobis(tetrahydrothiophene)palladium(II) and trans-Dichlorobis(tetrahydrothiophene)platinum(II)","Acta Chemica Scandinavica","1997","51","","289","293","10.3891/acta.chem.scand.51-0289","","x-ray","0.70926","MoKα","","","0.0556","","","0.0794","","","","","","","1.375","","","","has coordinates","247115","2020-10-21","18:00:00",""
"1557135","13.11","0.003","5.813","0.001","6.482","0.001","90","","90","","90","","493.98","0.16","","","293","","","","","","","","","6","P m n 21","P 2ac -2","31","Dichlorobis(thiourea)cadmium(II)","","","- C2 H8 Cd Cl2 N4 S2 -","- C2 H8 Cd Cl2 N4 S2 -","- C4 H16 Cd2 Cl4 N8 S4 -","2","0.5","","Krunks, Malle; Madarasz, Janos; Hiltunen, Lassi; Mannonen, Risto; Mellikov, Enn; Niinisto, Lauri","Structure and Thermal Behaviour of Dichlorobis(thiourea)cadmium(II), a Single-Source Precursor for CdS Thin Films","Acta Chemica Scandinavica","1997","51","","294","301","10.3891/acta.chem.scand.51-0294","","x-ray","0.71069","MoKα","","","0.0211","","","0.0509","","","","","","","","","","","has coordinates","247116","2020-10-21","18:00:00",""
"1557136","10.479","0.007","10.718","0.001","11.391","0.004","99.76","0.06","92.02","0.04","111.48","0.06","1166.7","1.1","","","193","","","","","","","","","3","P -1","-P 1","2","2-(1-Naphthylamino)pyridine","","","- C15 H12 N2 -","- C15 N2 -","- C60 N8 -","4","2","","Polamo, Mika; Repo, Timo; Leskela, Markku","Crystal Structures of 2-(1-Naphthylamino)pyridine and 2-(Phenylamino)pyridine at 193 K","Acta Chemica Scandinavica","1997","51","","325","329","10.3891/acta.chem.scand.51-0325","","x-ray","0.71073","MoKα","","0.1209","0.0939","","","0.2368","0.2593","","","","","","1.039","","","","has coordinates","247117","2020-10-21","18:00:00",""
"1557137","10.18","0.005","8.035","0.004","12.052","0.004","90","","113.37","0.04","90","","904.9","0.8","","","193","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-(Phenylamino)pyridine","","","- C11 H10 N2 -","- C11 N2 -","- C44 N8 -","4","1","","Polamo, Mika; Repo, Timo; Leskela, Markku","Crystal Structures of 2-(1-Naphthylamino)pyridine and 2-(Phenylamino)pyridine at 193 K","Acta Chemica Scandinavica","1997","51","","325","329","10.3891/acta.chem.scand.51-0325","","x-ray","0.71073","MoKα","","0.1002","0.055","","","0.1169","0.1319","","","","","","1.023","","","","has coordinates","247118","2020-10-21","18:00:00",""
"1557146","6.007","0.001","14.899","0.001","13.269","0.001","90","","92.21","0.01","90","","1186.7","0.2","","","293","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","1,1,1,3,3,3-Hexafluoro-2-propanyloxy-(2,4,6-tri-tert-butylphenylimino)phosphine","","","- C21 H30 F6 N O P -","- C21 F6 N O P -","- C42 F12 N2 O2 P2 -","2","0.5","","Potschke, Norbert; Nieger, Martin; Niecke, Edgar","Crystal Structure of 1,1,1,3,3,3-Hexafluoro-2-propanyloxy-(2,4,6-tri-tert-butylphenylimino)phosphine","Acta Chemica Scandinavica","1997","51","","337","339","10.3891/acta.chem.scand.51-0337","","x-ray","1.54178","CuKα","","","0.059","","","","0.181","","","","","","1.02","","","","has coordinates","247186","2020-10-21","18:00:00",""
"1557147","8.097","0.003","22.75","0.009","8.983","0.003","90","","94.21","0.03","90","","1650.3","1.1","","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Copper(II) Adamanzane Complex","","","- C11 H24 Br Cl Cu N4 O4 -","- C11 Br Cl Cu N4 O4 -","- C44 Br4 Cl4 Cu4 N16 O16 -","4","1","","Springborg, Johan; Sotofte, Inger","Synthetic, Thermodynamic and Crystallographic Studies of Pentacoordinated Copper(II) Complexes with [24.31]Adamanzane, 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane, and Bromide, Iodide, Hydroxide, Water or Ammonia","Acta Chemica Scandinavica","1997","51","","357","366","10.3891/acta.chem.scand.51-0357","","x-ray","0.71073","MoKα","","","0.0764","","","","0.1828","","","","","","1","","","","has coordinates","247187","2020-10-21","18:00:00",""
"1557148","13.678","0.004","13.359","0.004","9.219","0.003","90","","90","","90","","1684.5","0.9","","","120","","","","","","","","","5","P n n 2","P 2 -2n","34","Copper(II) Adamanzane Complex","","","- C11 H24 Cu I2 N4 -","- C11 Cu I2 N4 -","- C44 Cu4 I8 N16 -","4","1","","Springborg, Johan; Sotofte, Inger","Synthetic, Thermodynamic and Crystallographic Studies of Pentacoordinated Copper(II) Complexes with [24.31]Adamanzane, 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane, and Bromide, Iodide, Hydroxide, Water or Ammonia","Acta Chemica Scandinavica","1997","51","","357","366","10.3891/acta.chem.scand.51-0357","","x-ray","1.5418","CuKα","","","0.1296","","","","0.3261","","","","","","2.2","","","","has coordinates","247188","2020-10-21","18:00:00",""
"1557150","8.0096","0.0008","12.0536","0.0013","28.063","0.004","90","","90","","90","","2709.3","0.6","","","295.7","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O10 -","- C28 N O10 -","- C112 N4 O40 -","4","1","","Marthi, Katalin; Larsen, Sine; Acs, Maria; Balint, Jozsef; Fogassy, Elemer","Optical Resolution of 2-(2'-Hydroxyethylamino)-1-phenylethanol, and the Crystal Structures of Two Polymorphic Modifications of the (2R,3R)-O,O'-Dibenzoyl Hydrogen Tartrate Salt of the (S)-(+)-Enantiomer","Acta Chemica Scandinavica","1997","51","","367","378","10.3891/acta.chem.scand.51-0367","","x-ray","1.54184","CuKα","","","0.0501","","","","0.1399","","","","","","1.059","","","","has coordinates","247249","2020-10-21","18:00:00",""
"1557151","8.0047","0.0008","11.865","0.002","28.065","0.005","90","","91.41","0.011","90","","2664.7","0.7","","","112","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N O10 -","- C28 N O10 -","- C112 N4 O40 -","4","2","","Marthi, Katalin; Larsen, Sine; Acs, Maria; Balint, Jozsef; Fogassy, Elemer","Optical Resolution of 2-(2'-Hydroxyethylamino)-1-phenylethanol, and the Crystal Structures of Two Polymorphic Modifications of the (2R,3R)-O,O'-Dibenzoyl Hydrogen Tartrate Salt of the (S)-(+)-Enantiomer","Acta Chemica Scandinavica","1997","51","","367","378","10.3891/acta.chem.scand.51-0367","","x-ray","1.54184","CuKα","","","0.0503","","","","0.1608","","","","","","1.218","","","","has coordinates","247250","2020-10-21","18:00:00",""
"1557152","13.01","0.004","13.01","0.004","8.615","0.003","90","","90","","120","","1262.8","0.7","","","293","","","","","","","","","4","R 3 :H","R 3","146","Double Carbonate K2Ca2(CO3)3","","","- C3 Ca2 K2 O9 -","- C3 Ca2 K2 O9 -","- C18 Ca12 K12 O54 -","6","0.666667","","Winbo, Camilla; Bostrom, Dan; Gobbels, Matthias","Crystal Structure of the Double Carbonate K2Ca2(CO3)3","Acta Chemica Scandinavica","1997","51","","387","391","10.3891/acta.chem.scand.51-0387","","x-ray","0.71073","MoKα","","","0.018","","","0.018","","","","","","","1.002","","","","has coordinates","247251","2020-10-21","18:00:00",""
"1557153","21.3","0.006","9.674","0.003","6.986","0.002","90","","104.27","","90","","1395.1","0.7","","","120","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H38 N4 O4 S -","- C25 H34 N4 O4 S -","- C50 H68 N8 O8 S2 -","2","0.5","","Hammer, Kristin; Benneche, Tore; Hope, Hakon; Undheim, Kjell","Stereoselective Synthesis of Thiophenedimethyl- and Benzenedimethyl- alpha,alpha'-Bridged Bis(glycines)","Acta Chemica Scandinavica","1997","51","","392","402","10.3891/acta.chem.scand.51-0392","","x-ray","1.54178","CuKα","","0.0465","0.0431","","","0.1112","0.1232","","","","","","0.76","","","","has coordinates","247252","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",""
"1557167","18.292","0.008","19.904","0.015","17.646","0.01","90","","109.47","0.04","90","","6057","6","","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Nb(BzNPy)2Cl3]","","","- C24 H22 Cl3 N4 Nb -","- C31 Cl3 N4 Nb -","- C248 Cl24 N32 Nb8 -","8","2","","Polamo, Mika; Leskela, Markku","Syntheses and Crystal Structures of Bis[2-(benzylamido)pyridine]trichloro Complexes of Niobium(V) and Tantalum(V)","Acta Chemica Scandinavica","1997","51","","449","454","10.3891/acta.chem.scand.51-0449","","x-ray","0.71069","MoKα","","0.1078","0.0887","","","0.2283","0.2448","","","","","","1.022","","","","has coordinates","247284","2020-10-21","18:00:00",""
"1557168","9.227","0.008","20.005","0.007","16.804","0.006","90","","100.08","0.05","90","","3054","3","","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Ta(BzNPy)2Cl3]","","","- C24 H22 Cl3 N4 Ta -","- C31 Cl3 N4 Ta -","- C124 Cl12 N16 Ta4 -","4","1","","Polamo, Mika; Leskela, Markku","Syntheses and Crystal Structures of Bis[2-(benzylamido)pyridine]trichloro Complexes of Niobium(V) and Tantalum(V)","Acta Chemica Scandinavica","1997","51","","449","454","10.3891/acta.chem.scand.51-0449","","x-ray","0.71069","MoKα","","0.0628","0.0582","","","0.1588","0.1627","","","","","","1.069","","","","has coordinates","247285","2020-10-21","18:00:00",""
"1557179","12.2137","0.002","7.5304","0.0014","9.9293","0.0016","90","","90","","90","","913.2","0.3","","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Al Br4 Cs -","- Al Br4 Cs -","- Al4 Br16 Cs4 -","4","0.5","","Berg, Rolf Willestofte","The CsBr-AlBr3 Phase Diagram and the Crystal Structure of CsAlBr4","Acta Chemica Scandinavica","1997","51","","455","461","10.3891/acta.chem.scand.51-0455","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.0458","0.0419","","","","","","","","has coordinates","247342","2020-10-21","18:00:00",""
"1557180","8.459","0.001","10.552","0.002","22.823","0.003","90","","90","","90","","2037.2","0.5","","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H26 N4 S2 -","- C10 N2 S -","- C80 N16 S8 -","8","1","","Laitinen, Riitta H.; Csoban, Katalin; Pursiainen, Jouni; Huuskonen, Juhani; Rissanen, Kari","Synthesis and Characterization of Some New Bipyridyl-Based Multidentate Ligands and Their CuI Complexes","Acta Chemica Scandinavica","1997","51","","462","469","10.3891/acta.chem.scand.51-0462","","x-ray","1.5418","CuKα","","","0.034","","","0.038","","","","","","","","","","","has coordinates","247343","2020-10-21","18:00:00",""
"1557181","9.1239","0.0008","9.518","0.002","7.3299","0.0007","95.26","0.09","107.805","0.007","112.17","0.01","545.5","0.3","","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N4 S2 -","- C22 N4 S2 -","- C22 N4 S2 -","1","0.5","","Laitinen, Riitta H.; Csoban, Katalin; Pursiainen, Jouni; Huuskonen, Juhani; Rissanen, Kari","Synthesis and Characterization of Some New Bipyridyl-Based Multidentate Ligands and Their CuI Complexes","Acta Chemica Scandinavica","1997","51","","462","469","10.3891/acta.chem.scand.51-0462","","x-ray","0.71069","MoKα","","","0.074","","","0.092","","","","","","","","","","","has coordinates","247344","2020-10-21","18:00:00",""
"1557182","9.799","0.003","10.416","0.001","12.947","0.001","66.186","0.009","73.45","0.02","85.07","0.02","1158.2","0.4","","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H28 Br Cu N4 O S2 -","- C20 Br Cu N4 O S2 -","- C40 Br2 Cu2 N8 O2 S4 -","2","1","","Laitinen, Riitta H.; Csoban, Katalin; Pursiainen, Jouni; Huuskonen, Juhani; Rissanen, Kari","Synthesis and Characterization of Some New Bipyridyl-Based Multidentate Ligands and Their CuI Complexes","Acta Chemica Scandinavica","1997","51","","462","469","10.3891/acta.chem.scand.51-0462","","x-ray","0.71069","MoKα","","","0.047","","","0.049","","","","","","","","","","","has coordinates","247345","2020-10-21","18:00:00",""
"1557190","23.445","0.003","16.392","0.003","20.612","0.003","90","","106.955","0.007","90","","7577","2","","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[bpmpCu(Cl)VO-(H2O)](C1O4)2","","","- C33 H35 Cl3 Cu N6 O11 V -","- C33 Cl3 Cu N6 O11 V -","- C264 Cl24 Cu8 N48 O88 V8 -","8","1","","Hazell, Alan; McKenzie, Christine J.; Moubaraki, Boujemaa; Murray, Keith S.","Crystal Structure and Magnetic Properties of a Copper(II)-Vanadium(IV) Complex of an 'Open-Ended' Dinucleating Ligand","Acta Chemica Scandinavica","1997","51","","470","475","10.3891/acta.chem.scand.51-0470","","x-ray","0.71073","MoKα","","","0.064","","","0.079","","","","","","","","","","","has coordinates","247376","2020-10-21","18:00:00",""
"1557191","5.362","0.001","18.84","0.004","7.612","0.002","90","","92.72","0.01","90","","768.1","0.3","","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cu3Fe2(SeO3)6-II","","","- Cu3 Fe2 O18 Se6 -","- Cu3 Fe2 O18 Se6 -","- Cu6 Fe4 O36 Se12 -","2","0.5","","Giester, G.","Synthesis and Crystal Structure of the New Polymorph Cu3Fe2(SeO3)6-II","Acta Chemica Scandinavica","1997","51","","501","514","10.3891/acta.chem.scand.51-0501","","x-ray","0.71069","MoKα","","","0.029","","","0.048","","","","","","","","","","","has coordinates","247377","2020-10-21","18:00:00",""
"1557192","21.811","0.007","11.523","0.002","14.063","0.004","90","","98.64","0.02","90","","3494.3","1.6","","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis-{N-[(2-pyrrolyl)methylidene]-N'-tosylbenzene-1,2-diaminato}zinc(II)","","","- C36 H32 N6 O4 S2 Zn -","- C36 N6 O4 S2 Zn -","- C144 N24 O16 S8 Zn4 -","4","0.5","","Romero, Jaime; Garcia-Vazquez, Jose A.; Duran, Maria L.; Castineiras, Alfonso; Sousa, Antonio; Garnovskii, Alexander D.; Garnovskii, D. A.","Electrochemical Synthesis of Zinc and Cadmium Complexes with N-[(2-pyrrolyl)methylidyne]-N'-tosylbenzene-1,2-diamine. The Crystal Structure of Bis-{N-[(2-pyrrolyl)methylidene]-N'-tosylbenzene-1,2-diaminato}zinc(II)","Acta Chemica Scandinavica","1997","51","","672","675","10.3891/acta.chem.scand.51-0672","","x-ray","0.71069","MoKα","","","0.053","","","0.057","","","","","","","3.52","","","","has coordinates","247378","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",""
"1557199","14.003","0.004","10.958","0.002","11.801","0.002","90","","90","","90","","1810.8","0.7","","","103","","","","","","","","","6","P n a 21","P 2c -2n","33","(Triiodo)[tris(dimethylamino)phosphaneselenide]iodine(I)","","","- C6 H18 I4 N3 P Se -","- C6 I4 N3 P Se -","- C24 I16 N12 P4 Se4 -","4","1","","Rudd, Martin D.; Lindeman, Sergey V.; Husebye, Steinar","Three-Center, Four-Electron Bonding and Structural Characteristics of Two-Coordinate Iodine(I) Complexes with Halogen and Chalcogen Ligands. Synthesis, Spectroscopic Characterization and X-Ray Structural Studies of (Triiodo)[tris(dimethylamino)phosphaneselenide]iodine(I) and Bis{(triiodo)[tri(N-morpholyl)phosphaneselenide]iodine(I)}/Diiodine Molecular Complex","Acta Chemica Scandinavica","1997","51","","689","708","10.3891/acta.chem.scand.51-0689","","x-ray","0.71069","MoKα","","0.0289","0.0233","","","9.0729","0.087","","","","","","0.617","","","","has coordinates","247409","2020-10-21","18:00:00",""
"1557200","8.999","0.004","16.874","0.008","16.996","0.006","90","","103.98","0.03","90","","2504.4","1.9","","","103","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Bis{(triiodo)[tri(N-morpholyl)phosphaneselenide]iodine(I)}/Diiodine","","","- C12 H24 I5 N3 O3 P Se -","- C12 I5 N3 O3 P Se -","- C48 I20 N12 O12 P4 Se4 -","4","1","","Rudd, Martin D.; Lindeman, Sergey V.; Husebye, Steinar","Three-Center, Four-Electron Bonding and Structural Characteristics of Two-Coordinate Iodine(I) Complexes with Halogen and Chalcogen Ligands. Synthesis, Spectroscopic Characterization and X-Ray Structural Studies of (Triiodo)[tris(dimethylamino)phosphaneselenide]iodine(I) and Bis{(triiodo)[tri(N-morpholyl)phosphaneselenide]iodine(I)}/Diiodine Molecular Complex","Acta Chemica Scandinavica","1997","51","","689","708","10.3891/acta.chem.scand.51-0689","","x-ray","0.71069","MoKα","","0.0805","0.0327","","","0.0748","0.0866","","","","","","0.953","","","","has coordinates","247411","2020-10-21","18:00:00",""
"1557211","10.577","0.007","23.018","0.011","11.102","0.004","90","","93.35","0.04","90","","2698","2","","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis[2-(benzylamino)-4-methylpyridinato]trichlorotantalum(V)","","","- C26 H26 Cl3 N4 Ta -","- C26 Cl3 N4 Ta -","- C104 Cl12 N16 Ta4 -","4","0.5","","Polamo, Mika; Leskela, Markku","Syntheses and Crystal Structures of Bis[2-(benzylamino)-4-methylpyridinato]trichlorotantalum(V) and Bis[2-(benzylamino)-6-methylpyridinato]trichlorotantalum(V)","Acta Chemica Scandinavica","1997","51","","709","713","10.3891/acta.chem.scand.51-0709","","x-ray","0.71073","MoKα","","","0.0282","","","0.0747","","","","","","","1.101","","","","has coordinates","247457","2020-10-21","18:00:00",""
"1557212","10.066","0.007","12.113","0.011","14.329","0.009","106.53","0.06","100.51","0.05","90.15","0.07","1644","2","","","193","","","","","","","","","5","P -1","-P 1","2","Bis[2-(benzylamino)-6-methylpyridinato]trichlorotantalum(V)","","","- C34 H36 Cl3 N4 Ta -","- C34 Cl3 N4 Ta -","- C68 Cl6 N8 Ta2 -","2","1","","Polamo, Mika; Leskela, Markku","Syntheses and Crystal Structures of Bis[2-(benzylamino)-4-methylpyridinato]trichlorotantalum(V) and Bis[2-(benzylamino)-6-methylpyridinato]trichlorotantalum(V)","Acta Chemica Scandinavica","1997","51","","709","713","10.3891/acta.chem.scand.51-0709","","x-ray","0.71073","MoKα","","","0.0505","","","0.1372","","","","","","","1.087","","","","has coordinates","247458","2020-10-21","18:00:00",""
"1557216","13.586","0.003","7.729","0.002","15.57","0.005","90","","112.95","0.02","90","","1505.5","0.7","","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,2-Bis[bis(2-methylthiophenyl)phosphino]ethane","","","- C30 H32 P2 S4 -","- C30 P2 S4 -","- C60 P4 S8 -","2","0.5","","Laitinen, Riitta H.; Losonczi, Judit; Pursiainen, Jouni; Ahlgren, Markku","X-Ray Crystal Structure of 1,2-Bis[bis(2-methylthiophenyl)phosphino]ethane","Acta Chemica Scandinavica","1997","51","","804","806","10.3891/acta.chem.scand.51-0804","","x-ray","0.71073","MoKα","","","0.04","","","0.056","","","","","","","1.31","","","","has coordinates","247549","2020-10-21","18:00:00",""
"1557217","9.529","0.002","10.14","0.001","14.423","0.002","86.05","0.01","77.71","0.01","86.89","0.01","1357.3","0.4","","","104","","","","","","","","","5","P -1","-P 1","2","[Cu(tbima)(NO3)](NO3).C2H5OH","","","- C26 H27 Cu N9 O7 -","- C26 Cu N9 O7 -","- C52 Cu2 N18 O14 -","2","1","","Sletten, Jorunn; Grove, Hilde","Copper(II) Complex of the Tripodal Ligand Tris((benzimidazol-2-yl)methyl)amine and its Bonding to a Sulfur Ligand of Thiolate Character","Acta Chemica Scandinavica","1997","51","","822","831","10.3891/acta.chem.scand.51-0822","","x-ray","0.71073","MoKα","","","0.046","","","0.051","","","","","","","1.749","","","","has coordinates","247551","2020-10-21","18:00:00",""
"1557218","9.791","0.003","9.644","0.003","13.622","0.004","96.31","0.02","96.93","0.01","97.08","0.01","1256.9","0.7","","","104","","","","","","","","","5","P -1","-P 1","2","[Cu(tbima)(N03)](NO3).H20","","","- C24 H23 Cu N9 O7 -","- C24 Cu N9 O7 -","- C48 Cu2 N18 O14 -","2","1","","Sletten, Jorunn; Grove, Hilde","Copper(II) Complex of the Tripodal Ligand Tris((benzimidazol-2-yl)methyl)amine and its Bonding to a Sulfur Ligand of Thiolate Character","Acta Chemica Scandinavica","1997","51","","822","831","10.3891/acta.chem.scand.51-0822","","x-ray","0.71073","MoKα","","","0.035","","","0.044","","","","","","","1.542","","","","has coordinates","247552","2020-10-21","18:00:00",""
"1557219","13.339","0.005","14.151","0.004","16.232","0.006","103.05","0.02","108.82","0.03","93.21","0.02","2797.5","1.8","","","107","","","","","","","","","6","P -1","-P 1","2","[Cu2(tbima)2(att)](N03)3.H20.C2H5OH","","","- C52 H53 Cu2 N21 O11 S -","- C52 Cu2 N21 O11 S -","- C104 Cu4 N42 O22 S2 -","2","1","","Sletten, Jorunn; Grove, Hilde","Copper(II) Complex of the Tripodal Ligand Tris((benzimidazol-2-yl)methyl)amine and its Bonding to a Sulfur Ligand of Thiolate Character","Acta Chemica Scandinavica","1997","51","","822","831","10.3891/acta.chem.scand.51-0822","","x-ray","0.71073","MoKα","","","0.044","","","0.05","","","","","","","1.777","","","","has coordinates","247553","2020-10-21","18:00:00",""
"1557258","13.093","0.003","13.093","0.003","8.631","0.002","90","","90","","120","","1281.4","0.5","","","120","","","","","","","","","6","P -6 2 m","P -6 -2","189","mu3-Carbonatotris{1,4,7,10-tetraazabicyclo[5.5.3]pentadecanecopper(II)}","","","- C34 H76 Cl4 Cu3 N12 O21 -","- C34 Cl4 Cu3 N12 O22 -","- C34 Cl4 Cu3 N12 O22 -","1","0.0833333","","Springborg, Johan; Glerup, Jorgen; Sotofte, Inger","Synthesis and Crystal Structure of a Compound with Three [24.31]Adamanzanecopper(II) Species Coordinated to One Carbonate Ion, mu3-Carbonatotris{1,4,7,10-tetraazabicyclo[5.5.3]pentadecanecopper(II)} Perchlorate Dihydrate.","Acta Chemica Scandinavica","1997","51","","832","838","10.3891/acta.chem.scand.51-0832","","x-ray","0.71069","CuKα","","","0.0409","","","0.0982","","","","","","","1.2","","","","has coordinates","247909","2020-10-21","18:00:00",""
"1557259","29.207","0.004","12.714","0.002","19.984","0.003","90","","128.94","0.01","90","","5771.9","1.7","","","148","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","r-1-Hydroxy-c-4-trinitromethy1-1,4-dihydrodibenzothiophene","","","- C13 H9 N3 O7 S -","- C13 N3 O7 S -","- C208 N48 O112 S16 -","16","2","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Radner, Finn; Robinson, Ward T.; Wood, Bryan R.","Regiochemistry of the Reaction between Dibenzothiophene Radical Cation and Nucleophiles or Nitrogen Dioxide","Acta Chemica Scandinavica","1997","51","","839","848","10.3891/acta.chem.scand.51-0839","","x-ray","0.71069","MoKα","","","0.031","","","0.07","","","","","","","","","","","has coordinates","247910","2020-10-21","18:00:00",""
"1557260","7.661","0.002","10.19","0.003","5.807","0.002","93.58","0.01","101.37","0.02","81.3","0.2","439.1","0.3","","","293","","","","","","","","","3","P 1","P 1","1","mer-[Cr(NH3)3(N3)3}","","","- Cr H9 N12 -","- Cr N12 -","- Cr2 N24 -","2","2","","Dossing, Anders; Engberg, Pernille; Hazell, Rita","Crystal Structures and Nitrosation Reactions of Triamminetriazido Complexes of Chromium(III)","Acta Chemica Scandinavica","1997","51","","849","854","10.3891/acta.chem.scand.51-0849","","x-ray","0.71073","MoKα","","","0.054","","","0.067","","","","","","","4.11","","","","has coordinates","247911","2020-10-21","18:00:00",""
"1557261","7.515","0.001","9.759","0.002","6.5665","0.0009","96.444","0.009","112.496","0.007","88.31","0.01","442.08","0.13","","","293","","","","","","","","","3","P -1","-P 1","2","fac-[Cr(NH3)3(N3)3}","","","- Cr H9 N12 -","- Cr N12 -","- Cr2 N24 -","2","1","","Dossing, Anders; Engberg, Pernille; Hazell, Rita","Crystal Structures and Nitrosation Reactions of Triamminetriazido Complexes of Chromium(III)","Acta Chemica Scandinavica","1997","51","","849","854","10.3891/acta.chem.scand.51-0849","","x-ray","0.71073","MoKα","","","0.04","","","0.051","","","","","","","1.371","","","","has coordinates","247912","2020-10-21","18:00:00",""
"1557265","12.039","0.001","12.096","0.001","6.741","0.002","90","","97.86","0.01","90","","972.4","0.3","","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hexaaquamagnesium Diliturate Dihydrate","","","- C8 H20 Mg N6 O18 -","- C8 Mg N6 O18 -","- C16 Mg2 N12 O36 -","2","0.5","","Simonsen, Ole","Crystal Structures of Hexaaquamagnesium Diliturate Dihydrate, Mg(H2O)6(2+)(C4H2N3O5-)2.2H2O and the Isomorphous Calcium Salt","Acta Chemica Scandinavica","1997","51","","861","864","10.3891/acta.chem.scand.51-0861","","x-ray","0.71069","MoKα","","","0.044","","","0.036","","","","","","","","","","","has coordinates","247948","2020-10-21","18:00:00",""
"1557266","12.349","0.001","12.167","0.001","6.818","0.001","90","","97.08","0.01","90","","1016.6","0.19","","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hexaaquacalcium Diliturate Dihydrate","","","- C8 H20 Ca N6 O18 -","- C8 Ca N6 O18 -","- C16 Ca2 N12 O36 -","2","0.5","","Simonsen, Ole","Crystal Structures of Hexaaquamagnesium Diliturate Dihydrate, Mg(H2O)6(2+)(C4H2N3O5-)2.2H2O and the Isomorphous Calcium Salt","Acta Chemica Scandinavica","1997","51","","861","864","10.3891/acta.chem.scand.51-0861","","x-ray","0.71069","MoKα","","","0.044","","","0.037","","","","","","","","","","","has coordinates","247949","2020-10-21","18:00:00",""
"1557267","12.09","0.001","12.09","0.001","22.007","0.003","90","","90","","90","","3216.7","0.6","","","288","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C16 H28 N4 -","- C16 N4 -","- C128 N32 -","8","0.5","","Gopal, Damodaragounder; Macikenas, Dainius; Sayre, Lawrence M.; Protasiewicz, John D.","Structural Determination of a Dimeric Side-Product Accompanying Dihydropyrazine Preparation","Acta Chemica Scandinavica","1997","51","","938","941","10.3891/acta.chem.scand.51-0938","","x-ray","0.71073","MoKα","","","0.0505","","","0.0949","","","","","","","1.178","","","","has coordinates","247950","2020-10-21","18:00:00",""
"1557273","5.878","0.003","10.507","0.008","12.633","0.008","77.57","0.06","88.91","0.05","82.71","0.05","755.7","0.9","","","103","","","","","","","","","5","P -1","-P 1","2","1-Ferrocenyl-3-(4'-nitrophenyl)-2-propen-1-one","","","- C19 H15 Fe N O3 -","- C19 Fe N O3 -","- C38 Fe2 N2 O6 -","2","1","","Lindeman, Sergey V.; Bozak, Richard E.; Hicks, Ronald J.; Husebye, Steinar","Crystal Structure of 1-Ferrocenyl-3-(4'-nitrophenyl)-2-propen-1-one, C19H15FeNO3","Acta Chemica Scandinavica","1997","51","","966","968","10.3891/acta.chem.scand.51-0966","","x-ray","0.71069","MoKα","","0.0882","0.0513","","","0.1284","0.1543","","","","","","1.097","","","","has coordinates","247989","2020-10-21","18:00:00",""
"1557274","16.149","0.003","6.593","0.002","15.775","0.003","90","","94.01","","90","","1675.5","0.7","","","153","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","r-2-t-3-Dinitro-2,3-dihydrobenzofuran","","","- C8 H6 N2 O5 -","- C8 N2 O5 -","- C64 N16 O40 -","8","1","","Butts, Craig P.; Eberson, Lennart; Gonzales-Luque, Remedios; Hartshorn, Chris M.; Hartshorn, Michael P.; Merchan, Manuela; Robinson, Ward T.; Roos, Bjorn O.; Vallance, Claire; Wood, Bryan R.","Photochemical Nitration by Tetranitromethane. Part XL. Regiochemistry of Trinitromethyl Attachment in the Photolysis of Benzofuran with Tetranitromethane","Acta Chemica Scandinavica","1997","51","","984","999","10.3891/acta.chem.scand.51-0984","","x-ray","0.71069","MoKα","","","0.033","","","0.081","","","","","","","","","","","has coordinates","247990","2020-10-21","18:00:00",""
"1557275","6.511","0.002","6.846","0.002","8.819","0.002","71.36","0.03","70.79","0.02","73.54","0.03","344.7","0.18","","","153","","","","","","","","","4","P -1","-P 1","2","3-Nitrobenzofuran","","","- C8 H5 N O3 -","- C8 N O3 -","- C16 N2 O6 -","2","1","","Butts, Craig P.; Eberson, Lennart; Gonzales-Luque, Remedios; Hartshorn, Chris M.; Hartshorn, Michael P.; Merchan, Manuela; Robinson, Ward T.; Roos, Bjorn O.; Vallance, Claire; Wood, Bryan R.","Photochemical Nitration by Tetranitromethane. Part XL. Regiochemistry of Trinitromethyl Attachment in the Photolysis of Benzofuran with Tetranitromethane","Acta Chemica Scandinavica","1997","51","","984","999","10.3891/acta.chem.scand.51-0984","","x-ray","0.71069","MoKα","","","0.039","","","0.104","","","","","","","","","","","has coordinates","247991","2020-10-21","18:00:00",""
"1557276","9.809","0.001","5.355","0.001","17.1","0.002","90","","101.2","0.01","90","","881.1","0.2","","","153","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Nitronic ester","","","- C9 H6 N2 O5 -","- C9 N2 O5 -","- C36 N8 O20 -","4","1","","Butts, Craig P.; Eberson, Lennart; Gonzales-Luque, Remedios; Hartshorn, Chris M.; Hartshorn, Michael P.; Merchan, Manuela; Robinson, Ward T.; Roos, Bjorn O.; Vallance, Claire; Wood, Bryan R.","Photochemical Nitration by Tetranitromethane. Part XL. Regiochemistry of Trinitromethyl Attachment in the Photolysis of Benzofuran with Tetranitromethane","Acta Chemica Scandinavica","1997","51","","984","999","10.3891/acta.chem.scand.51-0984","","x-ray","0.71069","MoKα","","","0.031","","","0.091","","","","","","","","","","","has coordinates","247992","2020-10-21","18:00:00",""
"1557277","7.474","0.001","7.612","0.001","9.658","0.001","92.71","0.01","92.25","0.01","104.11","0.01","531.56","0.12","","","168","","","","","","","","","4","P -1","-P 1","2","4-Trinitromethylbenzofuran","","","- C9 H5 N3 O7 -","- C9 N3 O7 -","- C18 N6 O14 -","2","1","","Butts, Craig P.; Eberson, Lennart; Gonzales-Luque, Remedios; Hartshorn, Chris M.; Hartshorn, Michael P.; Merchan, Manuela; Robinson, Ward T.; Roos, Bjorn O.; Vallance, Claire; Wood, Bryan R.","Photochemical Nitration by Tetranitromethane. Part XL. Regiochemistry of Trinitromethyl Attachment in the Photolysis of Benzofuran with Tetranitromethane","Acta Chemica Scandinavica","1997","51","","984","999","10.3891/acta.chem.scand.51-0984","","x-ray","0.71069","MoKα","","","0.029","","","0.054","","","","","","","","","","","has coordinates","247993","2020-10-21","18:00:00",""
"1557307","10.5454","0.0007","10.5454","0.0007","5.6246","0.0004","90","","90","","90","","625.49","0.07","","","293","","","","","","","","","4","I 4/m","-I 4","87","LiAl7B4O17","","","- Al7 B4 Li O17 -","- Al7 B4 Li2 O17 -","- Al14 B8 Li4 O34 -","2","0.125","","Ahman, Johan; Svensson, Goran; Grins, Jekabs","Lithium Aluminium Borate, LiAl7B4O17","Acta Chemica Scandinavica","1997","51","","1045","1050","10.3891/acta.chem.scand.51-1045","","x-ray","0.71069","MoKα","","","0.039","","","0.117","","","","","","","1.05","","","","has coordinates","248075","2020-10-21","18:00:00",""
"1557308","7.915","0.002","13.165","0.003","20.065","0.004","90","","93.49","0.03","90","","2086.9","0.8","","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu(1L)(bipy)(H2O)]ClO4.H2O","","","- C16 H19 Cl Cu N6 O9 -","- C4 Cu N4 O5 -","- C16 Cu4 N16 O20 -","4","1","","Kivekas, Raikko; Pajunen, Aarne; Colacio, Enrique; Dominguez-Vera, Jose M.; Moreno, Jose Maria; Romerosa, Antonio","Structural Characterization of Closely Related Mononuclear CuII Complexes of 5-Nitrosooxime Pyrimidines. A Combined X-Ray and EPR Study","Acta Chemica Scandinavica","1997","51","","1051","1057","10.3891/acta.chem.scand.51-1051","","x-ray","0.71069","MoKα","","","0.0743","","","0.1581","","","","","","","1.041","","","","has coordinates","248077","2020-10-21","18:00:00",""
"1557309","16.187","0.009","12.811","0.007","21.501","0.009","90","","101.18","0.04","90","","4374","4","","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu(3L)(biPy)(EtOH)][Cu(3L)(ClO4)(biPy)(EtOH)]ClO4","","","- C36 H40 Cl2 Cu2 N10 O18 -","- C12 Cl Cu2 N6 O11 -","- C48 Cl4 Cu8 N24 O44 -","4","1","","Kivekas, Raikko; Pajunen, Aarne; Colacio, Enrique; Dominguez-Vera, Jose M.; Moreno, Jose Maria; Romerosa, Antonio","Structural Characterization of Closely Related Mononuclear CuII Complexes of 5-Nitrosooxime Pyrimidines. A Combined X-Ray and EPR Study","Acta Chemica Scandinavica","1997","51","","1051","1057","10.3891/acta.chem.scand.51-1051","","x-ray","0.71073","MoKα","","","0.0808","","","0.1738","","","","","","","1.087","","","","has coordinates","248078","2020-10-21","18:00:00",""
"1557310","13.813","0.005","40.529","0.014","12.404","0.004","90","","90","","90","","6944","4","","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Cu(3L)Cl(bipy)].0.5H2O","","","- C16 H15 Cl Cu N5 O4.5 -","- C4 Cl Cu N3 O4.5 -","- C64 Cl16 Cu16 N48 O72 -","16","2","","Kivekas, Raikko; Pajunen, Aarne; Colacio, Enrique; Dominguez-Vera, Jose M.; Moreno, Jose Maria; Romerosa, Antonio","Structural Characterization of Closely Related Mononuclear CuII Complexes of 5-Nitrosooxime Pyrimidines. A Combined X-Ray and EPR Study","Acta Chemica Scandinavica","1997","51","","1051","1057","10.3891/acta.chem.scand.51-1051","","x-ray","0.71073","MoKα","","","0.0685","","","0.114","","","","","","","0.757","","","","has coordinates","248079","2020-10-21","18:00:00",""
"1557316","7.378","0.003","9.562","0.002","9.976","0.002","83.74","0.01","78.33","0.03","82.99","0.03","681.5","0.3","","","158","","","","","","","","","4","P -1","-P 1","2","1,4-Dimethoxy-2-trinitromethylnaphthalene","","","- C13 H11 N3 O8 -","- C13 N3 O8 -","- C26 N6 O16 -","2","1","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Persson, Ola; Thompson, Rewi S.; Robinson, Ward T.","Photochemical Nitration by Tetranitromethane. Part XLI. Addition Ipso to a Methoxy Group and the Effect of Methanol in the Photochemical Reaction between 1,4-Dimethoxynaphthalene and Tetranitromethane","Acta Chemica Scandinavica","1997","51","","1066","1077","10.3891/acta.chem.scand.51-1066","","x-ray","0.71069","MoKα","","","0.0383","","","0.1048","","","","","","","","","","","has coordinates","248150","2020-10-21","18:00:00",""
"1557317","19.104","0.004","10.799","0.003","5.419","0.003","90","","90","","90","","1118","0.7","","","158","","","","","","","","","4","P n a 21","P 2c -2n","33","4-Methoxy-2-(dinitromethylene)-1(2H)-naphthalenone","","","- C12 H8 N2 O6 -","- C12 N2 O6 -","- C48 N8 O24 -","4","1","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Persson, Ola; Thompson, Rewi S.; Robinson, Ward T.","Photochemical Nitration by Tetranitromethane. Part XLI. Addition Ipso to a Methoxy Group and the Effect of Methanol in the Photochemical Reaction between 1,4-Dimethoxynaphthalene and Tetranitromethane","Acta Chemica Scandinavica","1997","51","","1066","1077","10.3891/acta.chem.scand.51-1066","","x-ray","0.71069","MoKα","","","0.0462","","","0.115","","","","","","","","","","","has coordinates","248151","2020-10-21","18:00:00",""
"1557318","8.118","0.001","9.89","0.002","10.266","0.002","98.31","0.01","99.77","0.01","109.24","0.02","748.9","0.3","","","138","","","","","","","","","3","P -1","-P 1","2","2-Amino-3-cyano-5-(3,3-dicyanopropyl)-6-cyclopropyl-4-ethylpyridine","","","- C16 H17 N5 -","- C16 N5 -","- C32 N10 -","2","1","","Kolsaker, Per; Songe, Pal; Romming, Christian","Dimerization of Cyclopropanecarbonitrile Mediated by Grignard Reagents. Formation of Highly Substituted Pyridines","Acta Chemica Scandinavica","1997","51","","1104","1111","10.3891/acta.chem.scand.51-1104","","x-ray","0.71073","MoKα","","","0.047","","","","0.135","","","","","","1.054","","","","has coordinates","248154","2020-10-21","18:00:00",""
"1557319","7.8618","0.0003","8.8618","0.0003","9.8959","0.0003","108.284","0.002","95.969","0.002","104.129","0.001","622.51","0.04","","","150","","","","","","","","","4","P -1","-P 1","2","2-Amino-5-(2-chloroethyl)-3-cyano-6-cyclopropyl-4-methylpyridine","","","- C12 H14 Cl N3 -","- C12 Cl N3 -","- C24 Cl2 N6 -","2","1","","Kolsaker, Per; Songe, Pal; Romming, Christian","Dimerization of Cyclopropanecarbonitrile Mediated by Grignard Reagents. Formation of Highly Substituted Pyridines","Acta Chemica Scandinavica","1997","51","","1104","1111","10.3891/acta.chem.scand.51-1104","","x-ray","0.71073","MoKα","","","0.052","","","","0.13","","","","","","1.038","","","","has coordinates","248155","2020-10-21","18:00:00",""
"1557322","12.3752","0.0004","14.4445","0.0004","15.3662","0.0005","90","","106.15","0.01","90","","2638.37","0.19","","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Bromo-1,4,4,7,7-pentamethylbicyclo[3.3.0]octan-3-one","","","- C13 H21 Br O -","- C13 Br O -","- C104 Br8 O8 -","8","2","","Stenstrom, Yngve; Romming, Christian; Skattebol, Lars","A Facile Formation of the Tricyclo[3.3.0.0(2,4)]octane Ring System","Acta Chemica Scandinavica","1997","51","","1134","1137","10.3891/acta.chem.scand.51-1134","","x-ray","0.71073","MoKα","","0.1107","0.0549","","","0.0877","0.1028","","","","","","1.023","","","","has coordinates","248226","2020-10-21","18:00:00",""
"1557323","6.745","0.006","8.796","0.002","13.407","0.002","90","","98.99","0.03","90","","785.7","0.7","","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N'-bis(2-hydroxybenzyl)piperazine","","","- C18 H22 N2 O2 -","- C18 H2 N2 O2 -","- C36 H4 N4 O4 -","2","0.5","","Loukiala, Satumari; Ratilainen, Jari; Valkonen, Jussi; Rissanen, Kari","Syntheses and Crystal Structures of N,N'-Bis(2-hydroxybenzyl)piperazine, its Nitrate Salt and Copper(II) Acetate Complex.","Acta Chemica Scandinavica","1997","51","","1162","1168","10.3891/acta.chem.scand.51-1162","","x-ray","0.71073","MoKα","","0.1208","0.0486","","","0.0856","0.1965","","","","","","0.979","","","","has coordinates","248227","2020-10-21","18:00:00",""
"1557324","9.733","0.004","23.332","0.004","8.963","0.001","90","","90","","90","","2035.4","0.9","","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N'-bis(2-hydroxybenzyl)piperazine nitrate","","","- C18 H24 N4 O8 -","- C18 H4 N4 O8 -","- C72 H16 N16 O32 -","4","0.5","","Loukiala, Satumari; Ratilainen, Jari; Valkonen, Jussi; Rissanen, Kari","Syntheses and Crystal Structures of N,N'-Bis(2-hydroxybenzyl)piperazine, its Nitrate Salt and Copper(II) Acetate Complex.","Acta Chemica Scandinavica","1997","51","","1162","1168","10.3891/acta.chem.scand.51-1162","","x-ray","0.71073","MoKα","","0.1393","0.0491","","","0.0963","0.2245","","","","","","0.985","","","","has coordinates","248228","2020-10-21","18:00:00",""
"1557325","12.197","0.004","7.061","0.003","13.3","0.004","90","","98.83","0.02","90","","1131.9","0.7","","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N,N'-bis(2-hydroxybenzyl)piperazine copper(II) acetate","","","- C22 H26 Cu2 N2 O6 -","- C22 Cu2 N2 O6 -","- C44 Cu4 N4 O12 -","2","0.5","","Loukiala, Satumari; Ratilainen, Jari; Valkonen, Jussi; Rissanen, Kari","Syntheses and Crystal Structures of N,N'-Bis(2-hydroxybenzyl)piperazine, its Nitrate Salt and Copper(II) Acetate Complex.","Acta Chemica Scandinavica","1997","51","","1162","1168","10.3891/acta.chem.scand.51-1162","","x-ray","0.71073","MoKα","","0.0798","0.041","","","0.102","0.1202","","","","","","1.077","","","","has coordinates","248229","2020-10-21","18:00:00",""
"1557326","12.721","0.004","17.073","0.003","18.26","0.03","90","","90","","90","","3966","7","","","122","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","A-cisbeta-[Co(acac)(ch-PNNP)](C1O4)2","","","- C39 H47 Cl2 Co N2 O10 P2 -","- C39 Cl2 Co N2 O10 P2 -","- C156 Cl8 Co4 N8 O40 P8 -","4","1","","Atoh, Masamichi; Sorensen, Henning Osholm; Andersen, Peter","Synthesis and Stereochemistry of Cobalt(III) Complexes with the New Optically Active Phosphine Ligand, N,N'-Bis[2-(diphenylphosphanyl)ethyl]-(1R,2R)-cyclohexane-1,2-diamine (ch-PNNP). Crystal Structure of Lambda-Cisbeta-[Co(acac)(ch-PNNP)](ClO4)2","Acta Chemica Scandinavica","1997","51","","1169","1177","10.3891/acta.chem.scand.51-1169","","x-ray","0.71073","MoKα","","","0.0612","","","0.1349","","","","","","","1.441","","","","has coordinates","248230","2020-10-21","18:00:00",""
"1557339","5.3562","0.0006","13.293","0.002","16.927","0.002","90","","90","","90","","1205.2","0.3","","","122","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-Methoxyphenyl Phenyl Selenoxide","","","- C13 H14 O3 Se -","- C13 O3 Se -","- C52 O12 Se4 -","4","1","","Stuhr-Hansen, Nicolai; Sorensen, Henning Osholm; Henriksen, Lars; Larsen, Sine","Structural Characterisation of Chiral 4-Methoxyphenyl Phenyl Selenoxide","Acta Chemica Scandinavica","1997","51","","1186","1191","10.3891/acta.chem.scand.51-1186","","x-ray","1.54184","CuKα","","","0.0205","","","0.0478","","","","","","","2.346","","","","has coordinates","248290","2020-10-21","18:00:00",""
"2000092","10.395","0.004","10.793","0.005","13.839","0.004","103.98","0.03","91.62","0.03","116.65","0.03","1329.78","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H64 N6 O20 P6 -","- C56 N6 O38 P12 -","- C56 N6 O38 P12 -","1","0.5","","Larafa, K.; Mahjoub, A.; Rzaigui, M.; Durif, A.","Synthesis and crystal structure of (o-CH~3~C~6~H~4~NH~3~)~6~P~6~O~18~ · 2H~2~O","European Journal of Solid State and Inorganic Chemistry","1997","34","5","481","494","","","","","","","","0.036","","","0.036","","","","","","","","","","","has coordinates","182181","2020-10-21","18:00:00",""
"2000117","12.34","0.002","12.596","0.001","14.717","0.002","107.239","0.008","89.83","0.01","114.313","0.008","1972.29","","","","","","","","","","","","","8","P -1","-P 1","2","","","","- C16 H80 Cd3 Mo12 N4 Na2 O72 P8 -","- C16 Cd5 Mo12 N4 Na2 O84 P8 -","- C16 Cd5 Mo12 N4 Na2 O84 P8 -","1","0.5","","Guesdon, A.; Borel, M. M.; Leclaire, A.; Raveau, B.","Two New Closely Related MoV Hydroxymonophosphates Built Up of Cd[Mo~6~P~4~O~25~(OH)~6~]~2~ And Cd[Mo~6~P~4~O~26~(OH)~5~]~2~ Clusters","Chemistry - A European Journal","1997","3","11","1797","1800","10.1002/chem.19970031111","","","","","","","0.034","","","0.034","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2000118","11.943","0.001","13.339","0.002","26.765","0.003","85.33","0.01","86.87","0.01","64.08","0.01","3821.36","","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H148 Cd9 Mo24 N8 O139 P16 -","- C32 Cd12 Mo24 N8 O154 P16 -","- C32 Cd12 Mo24 N8 O154 P16 -","1","0.5","","Guesdon, A.; Borel, M. M.; Leclaire, A.; Raveau, B.","Two New Closely Related MoV Hydroxymonophosphates Built Up of Cd[Mo~6~P~4~O~25~(OH)~6~]~2~ And Cd[Mo~6~P~4~O~26~(OH)~5~]~2~ Clusters","Chemistry - A European Journal","1997","3","11","1797","1800","10.1002/chem.19970031111","","","","","","","0.04","","","0.04","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2000131","8.932","0.001","9.693","0.001","13.503","0.002","90","","96.01","0.01","90","","1162.64","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H30 N2 O20 P4 Zn3 -","- C12 H60 N4 O48 P8 Zn11 -","- C24 H120 N8 O96 P16 Zn22 -","2","0.5","","Reinert, P.; Khatyr, A.; Marler, B.; Patarin, J.","Synthesis and structure of [Zn~6~(H~2~O)~8~(HPO~4~)~4~(HPO~3~O)~4~] · 2[H~2~N~2~C~6~H~16~]","European Journal of Solid State and Inorganic Chemistry","1997","34","11","1211","1225","","","","","","","","0.035","","","0.035","","","","","","","","","","","has coordinates","182181","2020-10-21","18:00:00",""
"2002122","4.039","0.001","4.039","0.001","4.039","0.001","90","","90","","90","","65.9","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Barium niobate(IV)","","- Ba Nb O3 -","- Ba Nb O3 -","- Ba Nb O3 -","1","0.0208333","","Grin, Y; Mueller-Buschbaum, Hk; von Schnering, H G","""Ba Nb3 O6"" ist ein Perowskit Ba Nb O3, eine Korrektur und ein Beitrag zu Ba(x) Nb O3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","153","156","","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002141","15.429","0.002","5.7005","0.0012","7.364","0.002","90","","90","","90","","647.7","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Barium calcium manganese divanadate (1/0.6/0.4/1)","","- Ba Ca0.6 Mn0.4 O7 V2 -","- Ba Ca0.6 Mn0.4 O7 V2 -","- Ba4 Ca2.4 Mn1.6 O28 V8 -","4","0.5","","Rettich, R; Mueller-Buschbaum, Hk","Ein (Ba (Ca, Mn) O6)-Geruest mit eingelagerten V-O-V-Gruppen in der Kristallstruktur von Ba (Ca0.6 Mn0.4) V2 O7.","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","785","789","","","","","","","0.0857","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002796","11.808","0.002","11.808","0.004","7.036","0.004","90","","90","","120","","849.6","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Hexabarium dipraseodymium tetrairon(III) oxide","","- Ba6 Fe4 O15 Pr2 -","- Ba5.9999 Fe4 O15 Pr2.0001 -","- Ba11.9998 Fe8 O30 Pr4.0002 -","2","0.166667","","Mueller-Buschbaum, Hk; Meyer, S","Zur Kenntnis von Ba6 Pr2 Fe4 O15, Ba5 Sr Pr2 Fe4 O15 und Ba5 Ca Pr2 Fe4 O15","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","200","204","10.1002/zaac.19976230133","","","","","","0.0402","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002797","11.602","0.006","11.602","0.006","6.894","0.005","90","","90","","120","","803.7","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","Pentabarium calcium dipraseodymium tetrairon(III) oxide","","- Ba5 Ca Fe4 O15 Pr2 -","- Ba5.0001 Ca1.0001 Fe4 O15 Pr2.0001 -","- Ba10.0002 Ca2.0002 Fe8 O30 Pr4.0002 -","2","0.166667","","Mueller-Buschbaum, Hk; Meyer, S","Zur Kenntnis von Ba6 Pr2 Fe4 O15, Ba5 Sr Pr2 Fe4 O15 und Ba5 Ca Pr2 Fe4 O15","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","200","204","10.1002/zaac.19976230133","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002798","11.689","0.002","11.689","0.002","6.954","0.002","90","","90","","120","","822.8","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","Pentabarium strontium dipraseodymium tetrairon(III) oxide","","- Ba5 Fe4 O15 Pr2 Sr -","- Ba5.0001 Fe4 O15 Pr2.0001 Sr1.0001 -","- Ba10.0002 Fe8 O30 Pr4.0002 Sr2.0002 -","2","0.166667","","Mueller-Buschbaum, Hk; Meyer, S","Zur Kenntnis von Ba6 Pr2 Fe4 O15, Ba5 Sr Pr2 Fe4 O15 und Ba5 Ca Pr2 Fe4 O15","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","200","204","10.1002/zaac.19976230133","","","","","","0.0457","","","","","","","","","","","","","","","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",""
"2002811","9.866","0.003","15.332","0.004","7.172","0.002","90","","111.34","0.03","90","","1010.5","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Trilead diferro(III)ditellurate","","- Fe2 O12 Pb3 Te2 -","- Fe2 O12 Pb3 Te2 -","- Fe8 O48 Pb12 Te8 -","4","1","","Mueller-Buschbaum, Hk; Wedel, B","Ueber die Kristallchemie der Tellurate Pb3 Fe2 Te2 O12 und Pb2 Co Te O6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","35","39","","","","","","","0.0529","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002812","5.6611","0.0005","5.6611","0.0005","8.0036","0.0007","90","","90","","90","","256.5","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Dilead cobalt tellurate","","- Co O6 Pb2 Te -","- Co O6 Pb2 Te -","- Co2 O12 Pb4 Te2 -","2","0.0625","","Mueller-Buschbaum, Hk; Wedel, B","Ueber die Kristallchemie der Tellurate Pb3 Fe2 Te2 O12 und Pb2 Co Te O6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","35","39","","","","","","","0.0502","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002813","17.53998","0.002","7.6223","0.0008","11.0633","0.0012","90","","90","","90","","1479.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Barium oxovanadium bis(arsenate(V)) diarsenate(V)","","- As4 Ba O19 V4 -","- As4 Ba O19 V4 -","- As16 Ba4 O76 V16 -","4","0.5","","Mueller-Buschbaum, Hk; Wadewitz, C","Ba (V O)4 (As O4)2 (As2 O7): Ein neues Divanadyl(IV)-Arsenat mit flaechenverknuepften V2 O8+1 - Oktaederdoppeln","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","83","87","","","","","","","0.0693","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002814","12.325","0.009","9.764","0.004","31.14098","0.016","90","","90.85","0.05","90","","3747.1","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Cyclo-octatellurium hexachlororhenate(IV)","","- Cl6 Re Te8 -","- Cl6 Re Te8 -","- Cl48 Re8 Te64 -","8","1","","Beck, J; Mueller-Buschbaum, K","Synthesis and crystal structure of Te8 (Re Cl6), containing the heavy homologue (Te8)2+ of the chalcogen polykations (S8)2+ and (Se8)2+","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","409","413","10.1002/zaac.19976230165","","","","","","0.0298","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002815","8.397","0.002","9.7753","0.0015","12.616","0.002","90","","98.496","0.014","90","","1024.2","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Rubidium tricadmium vanadate divanadate","","- Cd3 O11 Rb V3 -","- Cd3 O11 Rb V3 -","- Cd12 O44 Rb4 V12 -","4","1","","Mueller-Buschbaum, Hk; Mertens, B","Ein Rubidium-Cadmium-Oxovanadat(V) mit Tunnelstruktur:Rb Cd3 (V O4) (V2 O7)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","357","361","10.1002/zaac.19976230157","","","","","","0.0887","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002816","22.758","0.001","22.758","0.001","5.684","0.001","90","","90","","90","","2943.9","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Barium tamarium zinc platinum oxide (17/16/8/4/57)","","- Ba17 O57 Pt4 Tm16 Zn8 -","- Ba17 O57 Pt4 Tm16 Zn8 -","- Ba34 O114 Pt8 Tm32 Zn16 -","2","0.125","","Sfreddo, O; Rabbow, C; Mueller-Buschbaum, Hk","Zur Kristallchemie von Oxozinkat-Platinaten und Oxozinkaten der Zusammensetzung Ba17 Tm16 Zn8 Pt4 O57 und Ba5 Tm8 Zn4 O21","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","699","704","10.1002/zaac.199762301111","","","","","","0.2106","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002817","13.652","0.001","13.652","0.001","5.664","0.001","90","","90","","90","","1055.6","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Barium zinc tamarium oxide (5/4/8/21)","","- Ba5 O21 Tm8 Zn4 -","- Ba5 O21 Tm8 Zn4 -","- Ba10 O42 Tm16 Zn8 -","2","0.125","","Sfreddo, O; Rabbow, C; Mueller-Buschbaum, Hk","Zur Kristallchemie von Oxozinkat-Platinaten und Oxozinkaten der Zusammensetzung Ba17 Tm16 Zn8 Pt4 O57 und Ba5 Tm8 Zn4 O21","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","699","704","10.1002/zaac.199762301111","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002818","12.5748","0.0015","5.8042","0.0003","7.1976","0.0003","90","","90","","90","","525.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Barium disamarium zinc oxide","","- Ba O5 Sm2 Zn -","- Ba O5 Sm2 Zn -","- Ba4 O20 Sm8 Zn4 -","4","0.5","","Mueller-Buschbaum, Hk; Rabbow, C; Panzer, S","Roentgenstrukturanalyse von zwei Verbindungen des Kupfertyps Ba M Ln2 O5 (M= Zn, Ln= Sm, Tm) und von Ba Sm Al Zn3 O7","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","546","548","","","","","","","0.0471","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002819","12.258","0.002","5.6837","0.0009","7.01","0.002","90","","90","","90","","488.4","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Barium dithulium zinc oxide","","- Ba O5 Tm2 Zn -","- Ba O5 Tm2 Zn -","- Ba4 O20 Tm8 Zn4 -","4","0.5","","Mueller-Buschbaum, Hk; Rabbow, C; Panzer, S","Roentgenstrukturanalyse von zwei Verbindungen des Kupfertyps Ba M Ln2 O5 (M= Zn, Ln= Sm, Tm) und von Ba Sm Al Zn3 O7","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","546","548","","","","","","","0.1293","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002820","6.3464","0.0007","6.3464","0.0007","10.237","0.003","90","","90","","120","","357.1","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","Aluminium barium samarium zinc oxide (1.1/1/1/2.9/7)","","- Al1.078 Ba O7 Sm Zn2.922 -","- Al1.078 Ba O7 Sm Zn2.922 -","- Al2.156 Ba2 O14 Sm2 Zn5.844 -","2","0.166667","","Mueller-Buschbaum, Hk; Rabbow, C; Panzer, S","Roentgenstrukturanalyse von zwei Verbindungen des Kupfertyps Ba M Ln2 O5 (M= Zn, Ln= Sm, Tm) und von Ba Sm Al Zn3 O7","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","546","548","","","","","","","0.0404","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002821","13.345","0.004","5.711","0.002","15.859","0.004","90","","113.69","0.02","90","","1106.8","","","","","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Barium magnesium manganese divanadate chloride (5/0.4/1.6/2/6)","","- Ba5 Cl6 Mg0.4 Mn1.6 O14 V4 -","- Ba5 Cl6 Mg0.4 Mn1.6 O14 V4 -","- Ba10 Cl12 Mg0.8 Mn3.2 O28 V8 -","2","0.5","","Mueller-Buschbaum, Hk; Rettich, R","Isolierte MnCl6-Oktaeder im Oxohalogeno-Vanadat Ba5 (Mg0.4 Mn0.6) (V2 O7)2 Mn Cl6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","457","461","","","","","","","0.125","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002822","9.5143","0.001","9.5143","0.001","9.5143","0.001","90","","90","","90","","861.3","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","Tetraneodymium 24-oxododecaaluminate - tetralead tetraoxide (1/2)","","- Al12 Nd4 O32 Pb8 -","- Al12 Nd4 O32 Pb8 -","- Al12 Nd4 O32 Pb8 -","1","0.0208333","","Mueller-Buschbaum, Hk; Werner, J-P","Elektroneutrale Pb4 O4-Heterokubaneinheiten in den AluminatSodalithen Ln4 (Al12 O24) (Pb4 O4)2 (Ln = Nd, Sm)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","449","452","","","","","","","0.0671","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002823","9.4812","0.001","9.4812","0.001","9.4812","0.001","90","","90","","90","","852.3","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","Tetrasamarium 24-oxododecaaluminate - tetralead tetraoxide (1/2)","","- Al12 O32 Pb8 Sm4 -","- Al12 O32 Pb8 Sm4 -","- Al12 O32 Pb8 Sm4 -","1","0.0208333","","Mueller-Buschbaum, Hk; Werner, J-P","Elektroneutrale Pb4O4-Heterokubaneinheiten in den AluminatSodalithen Ln4 Al12O24 (Pb4O4)2 (Ln = Nd, Sm)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","449","452","","","","","","","0.1103","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002824","6.02","0.001","23.76299","0.005","8.481","0.002","90","","90","","90","","1213.2","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Hexacobalt dioxide bis(cobaltoarsenato(V))tetraoxotellurate","","- As2 Co8 O16 Te -","- As2 Co8 O16 Te -","- As8 Co32 O64 Te4 -","4","","","Staack, M; Mueller-Buschbaum, Hk","Dicobaltarsenat - (Co As O7) - Baugruppen im CobaltoxidTellurat Co6 O2 (Te O4 (Co As O5)2)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","643","646","","","","","","","0.0618","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002825","7.3002","0.001","7.0534","0.001","14.4599","0.001","90","","101.426","0.01","90","","729.8","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Barium calcium oxovanadium bis(phosphate(V))","","- Ba Ca O9 P2 V -","- Ba Ca O9 P2 V -","- Ba4 Ca4 O36 P8 V4 -","4","1","","Mueller-Buschbaum, Hk; Meyer, S","Kantenverknuepfte V O6-Oktaeder und P O4-Tetraeder in Ba Ca (V O) (P O4)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","549","552","","","","","","","0.0311","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002826","7.2057","0.0013","9.9779","0.0011","19.61699","0.003","90","","90","","90","","1410.4","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Dibarium tricadmium bis(vanadate) divanadate","","- Ba2 Cd3 O15 V4 -","- Ba2 Cd3 O15 V4 -","- Ba8 Cd12 O60 V16 -","4","1","","Mueller-Buschbaum, Hk; Mertens, B","Cadmium in tetragonal pyramidaler Koordination im Barium-Cadmium- Oxovanadat(V): Ba2 Cd3 (V O4)2 (V2 O7)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","1061","1066","10.1002/zaac.19976230709","","","","","","0.0493","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002827","9.1421","0.0013","9.1421","0.0013","5.525","0.0006","90","","90","","90","","461.8","","","","","","","","","","","","","5","P 4","P 4","75","","Tetrarubidium cadmium oxovanadium bis(divanadate) chloride","","- Cd Cl O15 Rb4 V5 -","- Cd Cl O15 Rb4 V5 -","- Cd Cl O15 Rb4 V5 -","1","0.25","","Mueller-Buschbaum, Hk; Mertens, B","Synthese und Roentgen-Strukturuntersuchung von Rb4 Cd (V O) (V2 O7)2 Cl und Tl4 Cd (V O) (V2 O7)2 Cl","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","453","456","","","","","","","0.0756","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002828","9.15","0.001","9.15","0.001","5.405","0.001","90","","90","","90","","452.5","","","","","","","","","","","","","5","P 4","P 4","75","","Tetrathallium cadmium oxovanadium bis(divanadate) chloride","","- Cd Cl O15 Tl4 V5 -","- Cd Cl O15 Tl4 V5 -","- Cd Cl O15 Tl4 V5 -","1","0.25","","Mueller-Buschbaum, Hk; Mertens, B","Synthese und Roentgen-Strukturuntersuchung von Rb4 Cd (V O) (V2 O7)2 Cl und Tl4 Cd (V O) (V2 O7)2 Cl","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","453","456","","","","","","","0.0759","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002829","13.058","0.003","13.528","0.003","7.0597","0.0014","90","","114.879","0.014","90","","1131.4","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Rubidium tetracadmium tris(vanadate(V))","","- Cd4 O12 Rb V3 -","- Cd4 O12 Rb V3 -","- Cd16 O48 Rb4 V12 -","4","0.5","","Mueller-Buschbaum, Hk; Mertens, B","Zum Mineral Johillerit verwandte Oxovanadate Rb Cd4 V3 O12 und Tl Cd4 V3 O12","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","663","667","","","","","","","0.0884","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002830","12.999","0.006","13.527","0.007","7.055","0.003","90","","114.88","0.04","90","","1125.4","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Thallium tetracadmium tris(vanadate(V))","","- Cd4 O12 Tl V3 -","- Cd4 O12 Tl V3 -","- Cd16 O48 Tl4 V12 -","4","0.5","","Mueller-Buschbaum, Hk; Mertens, B","Zum Mineral Johillerit verwandte Oxovanadate Rb Cd4 V3 O12 und Tl Cd4 V3 O12","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","663","667","","","","","","","0.0817","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002831","10.7279","0.001","6.1547","0.0009","8.363","0.002","90","","97.684","0.014","90","","547.2","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Potassium cadmium copper tetracuprotrivanadate (1/0.67/0.33/1)","","- Cd0.67 Cu4.33 K O13 V3 -","- Cd0.67 Cu4.33 K O13 V3 -","- Cd1.34 Cu8.66 K2 O26 V6 -","2","0.5","","Mueller-Buschbaum, Hk; Mertens, B","Zu Ba Mg2 Cu8 V6 O26 isotype Alkalimetall-Cadmium-Kupferoxovanadate K Cd0.67 Cu4.33 V3 O13, Rb Cd0.5 Cu4.5 V3 O13 sowie Tl Cd0.5 Cu4.5 V3 O13","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","639","642","","","","","","","0.0347","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002832","10.746","0.003","6.1625","0.0014","8.3497","0.0013","90","","97.727","0.014","90","","547.9","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Rubidium cadmium copper tetracuprotrivanadate (1/0.5/0.5/1)","","- Cd0.5 Cu4.5 O13 Rb V3 -","- Cd0.5 Cu4.5 O13 Rb V3 -","- Cd Cu9 O26 Rb2 V6 -","2","0.5","","Mueller-Buschbaum, Hk; Mertens, B","Zu Ba Mg2 Cu8 V6 O26 isotype Alkalimetall-Cadmium-Kupferoxovanadate K Cd0.67 Cu4.33 V3 O13, Rb Cd0.5 Cu4.5 V3 O13 sowie Tl Cd0.5 Cu4.5 V3 O13","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","639","642","","","","","","","0.0656","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002833","10.746","0.003","6.175","0.002","8.337","0.003","90","","97.61","0.05","90","","548.3","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Thallium cadmium copper tetracuprotrivanadate (1/0.5/0.5/1)","","- Cd0.5 Cu4.5 O13 Tl V3 -","- Cd0.5 Cu4.5 O13 Tl V3 -","- Cd Cu9 O26 Tl2 V6 -","2","0.5","","Mueller-Buschbaum, Hk; Mertens, B","Zu Ba Mg2 Cu8 V6 O26 isotype Alkalimetall-Cadmium-Kupferoxovanadate K Cd0.67 Cu4.33 V3 O13, Rb Cd0.5 Cu4.5 V3 O13 sowie Tl Cd0.5 Cu4.5 V3 O13","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","639","642","","","","","","","0.0852","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002834","18.659","0.007","18.659","0.007","5.734","0.002","90","","90","","90","","1996.3","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Barium dysprosium platinum zinc oxide (13/8/4/4/37)","","- Ba13 Dy8 O37 Pt4 Zn4 -","- Ba13 Dy8 O37 Pt4 Zn4 -","- Ba26 Dy16 O74 Pt8 Zn8 -","2","0.125","","Mueller-Buschbaum, Hk; Sfreddo, O","Zur Kristallchemie von Oxozinkat-Platinaten und Oxozinkaten der Zusammensetzung Ba13 Dy8 Zn4 Pt4 O37","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","553","556","","","","","","","0.0831","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002835","14.113","0.001","6.4075","0.001","7.3635","0.001","90","","90","","90","","665.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Calcium nickel oxovanadium(IV) bis(phosphate(V))","","- Ca Ni O9 P2 V -","- Ca Ni O9 P2 V -","- Ca4 Ni4 O36 P8 V4 -","4","0.5","","Mueller-Buschbaum, Hk; Meyer, S","Kurze O-O-Abstaende einer gemeinsamen Polyederkante bei Verknuepfung von P O4 - Tetraedern mit V O6 - Oktaedern im Vanadylorthophosphat Ca Ni (V O) (P O4)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","981","984","","","","","","","0.0778","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002836","9.0661","0.001","9.0117","0.001","17.51288","0.001","90","","90","","90","","1430.8","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Strontium zinc oxovanadium bis(phosphate(V))","","- O9 P2 Sr V Zn -","- O9 P2 Sr V Zn -","- O72 P16 Sr8 V8 Zn8 -","8","1","","Mueller-Buschbaum, Hk; Meyer, S; Mertens, B","Zum Ba Zn (V O) (P O4)2-Typ verwandte, jedoch isotype Vanadylphosphate: Sr Zn (V O) (P O4)2 und Ba Cd (V O) (P O4)2.","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","985","988","","","","","","","0.1031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002837","8.838","0.004","8.915","0.004","19.37398","0.009","90","","90","","90","","1526.5","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Barium cadmium oxovanadium bis(phosphate(V))","","- Ba Cd O9 P2 V -","- Ba Cd O9 P2 V -","- Ba8 Cd8 O72 P16 V8 -","8","1","","Mueller-Buschbaum, Hk; Meyer, S; Mertens, B","Zum Ba Zn (V O) (P O4)2-Typ verwandte, jedoch isotype Vanadylphosphate: Sr Zn (V O) (P O4)2 und Ba Cd (V O) (P O4)2.","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","985","988","","","","","","","0.1081","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002838","20.842","0.006","13.471","0.003","11.838","0.009","90","","90","","90","","3323.7","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Barium cadmium vanadate (2.5/11/9)","","- Ba2.5 Cd11 O36 V9 -","- Ba2.5 Cd11 O36 V9 -","- Ba10 Cd44 O144 V36 -","4","0.5","","Mueller-Buschbaum, Hk; Mertens, B","Ueber ein cadmiumreiches Orthovanadat Ba2.5 Cd11 (V O4)9 mit Cadmium in oktaedrischer und tetragonal pyramidaler Koordination","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","989","993","","","","","","","0.0769","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002839","8.8137","0.001","9.039","0.001","18.53809","0.001","90","","90","","90","","1476.9","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Barium zinc oxovanadium(IV) bis(phosphate(V))","","- Ba O9 P2 V Zn -","- Ba O9 P2 V Zn -","- Ba8 O72 P16 V8 Zn8 -","8","1","","Mueller-Buschbaum, Hk; Meyer, S","Synthese und Kristallstruktur eines Barium-Zink-Vanadylphosphats Ba Zn (V O) (P O4)2 mit ((V O) (P O4))-Schichten","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","367","371","","","","","","","0.0683","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002840","9.5598","0.0012","9.5598","0.0012","7.16","0.002","90","","90","","90","","654.4","","","","","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","Barium oxovanadium tetracopper tetrakis(phosphate(V))","","- Ba Cu4 O17 P4 V -","- Ba Cu4 O17 P4 V -","- Ba2 Cu8 O34 P8 V2 -","2","0.25","","Mueller-Buschbaum, Hk; Meyer, S","Cu4 O12-Baugruppen aus planaren Cu O4-Polygonen im BariumVanadyl- Oxocuprat(II)-phosphat Ba (V O) Cu4 (P O4)4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","1693","1698","10.1002/zaac.19976231103","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002841","22.905","0.001","22.905","0.001","5.728","0.001","90","","90","","90","","3005.1","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Barium dysprosium zinc platinum oxide (17/6/8/4/57)","","- Ba17 Dy16 O57 Pt4 Zn8 -","- Ba17 Dy16 O57 Pt4 Zn8 -","- Ba34 Dy32 O114 Pt8 Zn16 -","2","0.125","","Sfreddo, O; Mueller-Buschbaum, Hk","Weitere Verbindungen des Ba17 Ln16 Zn8 Pt4 O57-Typs mit Ln= Dy, Ho, Er, Y","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","1067","1071","","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002842","22.84029","0.001","22.84029","0.001","5.722","0.001","90","","90","","90","","2985","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Barium dysprosium zinc platinum oxide (17/16/8/4/57)","","- Ba17 Ho16 O57 Pt4 Zn8 -","- Ba17 Ho16 O57 Pt4 Zn8 -","- Ba34 Ho32 O114 Pt8 Zn16 -","2","0.125","","Sfreddo, O; Mueller-Buschbaum, Hk","Weitere Verbindungen zum Ba17 Ln16 Zn8 Pt4 O57-Typ mit Ln= Dy, Ho, Er, Y","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","1067","1071","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002843","22.79538","0.001","22.79538","0.001","5.7003","0.001","90","","90","","90","","2962","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Barium erbium zinc platinum oxide (17/16/8/4/57)","","- Ba17 Er16 O57 Pt4 Zn8 -","- Ba17 Er16 O57 Pt4 Zn8 -","- Ba34 Er32 O114 Pt8 Zn16 -","2","0.125","","Sfreddo, O; Mueller-Buschbaum, Hk","Weitere Verbindungen zum Ba17 Ln16 Zn8 Pt4 O57-Typ mit Ln= Dy, Ho, Er, Y","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","1067","1071","","","","","","","0.1283","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002844","22.84839","0.001","22.84839","0.001","5.7086","0.001","90","","90","","90","","2980.2","","","","","","","","","","","","","5","I 4/m","-I 4","87","","Barium yttrium zinc platinum oxide (17/16/8/4/57)","","- Ba17 O57 Pt4 Y16 Zn8 -","- Ba17 O57 Pt4 Y16 Zn8 -","- Ba34 O114 Pt8 Y32 Zn16 -","2","0.125","","Sfreddo, O; Mueller-Buschbaum, Hk","Weitere Verbindungen zum Ba17 Ln16 Zn8 Pt4 O57-Typ mit Ln= Dy, Ho, Er, Y","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","1067","1071","","","","","","","0.1454","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002845","12.4727","0.0005","12.4727","0.0005","12.4727","0.0005","90","","90","","90","","1940.4","","","","","","","","","","","","","4","P 41 3 2","P 4bd 2ab 3","213","","Copper strontium ditellurium oxide","","- Cu O6 Sr Te2 -","- Cu O6 Sr Te2 -","- Cu12 O72 Sr12 Te24 -","12","0.5","","Mueller-Buschbaum, Hk; Wulff, L","Planare Cu O4-Polygone und eine einseitig offene Te(4+) O3 Koordination in Sr Cu Te2 O6.","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","1341","1344","","","","","","","0.0373","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002881","10.529","0.001","11.372","0.001","7.019","0.003","90","","90","","90","","840.4","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Dilead diindium disilicate","","- In2 O9 Pb2 Si2 -","- In2 O9 Pb2 Si2 -","- In8 O36 Pb8 Si8 -","4","1","","Werner, J-P; Mueller-Buschbaum, Hk","Zur Kenntnis eines synthetischen Kentrolits/Melanotekits des Indiums: Pb2 In2 Si2 O9","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","1213","1218","","","","","","","0.095","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002882","15.429","0.002","5.7005","0.0012","7.364","0.002","90","","90","","90","","647.7","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Barium calcium mangenese divanadate (1/0.6/0.4/1)","","- Ba Ca0.6 Mn0.4 O7 V2 -","- Ba Ca0.6 Mn0.4 O7 V2 -","- Ba4 Ca2.4 Mn1.6 O28 V8 -","4","0.5","","Rettich, R; Mueller-Buschbaum, Hk","Ein (Ba (Ca, Mn) O6)-Geruest mit eingelagerten V-O-VGruppen in der Kristallstruktur von Ba (Ca0.6 Mn0.4) V2 O7","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","785","789","","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005838","14.852","0.001","9.91","0.001","13.036","0.002","90","","113.749","0.008","90","","1756.2","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H9 N4 O2.5 -","- C7 H9 N4 O2.5 -","- C56 H72 N32 O20 -","8","1","AB1405","Gallardo, H.; Begnini, I. M.; Vencato, I.","5-(4-Hydroxyphenyl)tetrazole‒Water (2/3)","Acta Crystallographica Section C","1997","53","1","143","144","10.1107/S0108270196012474","","","0.71073","MoKα","","0.0453","0.0335","","0.1055","0.0916","","","","1.067","1.031","1.031","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005839","5.644","0.002","13.624","0.002","22.617","0.001","90","","95.31","0.01","90","","1731.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Oxo-6-phenyl-6-phospha-3,9-dithiabicyclo[9,4,0]pentadeca-1(11),12,14-triene","","- C18 H21 O P S2 -","- C18 H21 O P S2 -","- C72 H84 O4 P4 S8 -","4","1","AB1413","Kivekäs, R.; Muñoz, J. A.; Escriche, L.; Casabó, J.; Sillanpää, R.","6-Oxo-6-phenyl-6-phospha-3,9-dithiabicyclo[9.4.0]pentadeca-1(11),12,14-triene","Acta Crystallographica Section C","1997","53","1","126","128","10.1107/S0108270196012140","","","0.71069","MoKα","","0.0992","0.0425","","0.162","0.0872","","","","1.041","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005840","5.223","0.0007","38.371","0.005","9.417","0.001","90","","96.98","0.01","90","","1873.3","0.4","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","40<[OS(2,5)1,3,4-thiadiazolo,S]~4~-coronand-16>","10,11,21,22,32,33,43,44-octaaza-5,16,27,38-tetraoxa-2,8,13,19,24,30,35,41,45,46,47,48-dodecathiapentacyclo[40.2.1.1^9,12^.1^20,23^.1^31,34^]octatetracontane","","- C24 H32 N8 O4 S12 -","- C24 H32 N8 O4 S12 -","- C48 H64 N16 O8 S24 -","2","0.5","BK1223","Rugutt, J. K.; Fronczek, F. R.; Watkins, S. F.; Pappalardo, S.","A Tetrameric Macrocycle with 2,5-Dithio-1,3,4-thiadiazole Subunits","Acta Crystallographica Section C","1997","53","1","81","84","10.1107/S010827019601236X","","","1.54184","CuKα","","","0.047","","","0.062","","","","","1.731","1.731","","","","","has coordinates","211401","2020-10-21","18:00:00",""
"2005841","18.8917","0.0008","4.6858","0.0003","12.7916","0.0008","90","","127.95","0.01","90","","892.91","0.15","298","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Br2 -","- C8 H10 Br2 -","- C32 H40 Br8 -","4","0.5","BK1224","Dávila, A.; McLaughlin, M. L.; Fronczek, F. R.; Watkins, S. F.","1,5-Dibromocycloocta-1,5-diene","Acta Crystallographica Section C","1997","53","1","84","86","10.1107/S0108270196012322","","","0.71073","MoKα","","","0.069","","","0.038","","","","","1.128","1.128","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2005842","9.3811","0.0011","13.2775","0.0012","10.487","0.001","90","","98.177","0.009","90","","1293","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tricarbonyl(2-methoxycyclohexadienyl)-iron(II)-tatrafluoroborate","","- C10 H9 B F4 Fe O4 -","- C10 H9 B F4 Fe O4 -","- C40 H36 B4 F16 Fe4 O16 -","4","1","BK1242","DeBord, J. R. D.; George, T. A.; Ross, II, C. R.; Stezowski, J. J.","Tetrafluoroborate Salt of Tricarbonyl(2-methoxy-η^5^-cyclohexadienyl)iron(II)","Acta Crystallographica Section C","1997","53","1","45","47","10.1107/S0108270196011584","","","0.71073","MoKα","","0.1174","0.067","","0.15","0.1174","","","","1.08","1.144","1.144","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005843","3.897","0.003","9.355","0.002","28.98","0.003","90","","90.79","0.04","90","","1056.4","0.9","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","anthracene-9-carboxylic acid","anthracene-9-carboxylic acid","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","BK1282","Fitzgerald, L. J.; Gerkin, R. E.","Anthracene-9-carboxylic Acid","Acta Crystallographica Section C","1997","53","1","71","73","10.1107/S0108270196011213","","","0.71073","MoKα","","","0.044","","","0.049","","","","","1.6","1.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005844","7.956","0.002","8.193","0.002","9.313","0.002","89.89","0.01","94.79","0.01","90.95","0.01","604.9","0.2","294","","294","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H13 N3 -","- C14 H13 N3 -","- C28 H26 N6 -","2","1","BM1071","Mefetah, H.; Giorgi, M.; Brouant, P.","2-Anilino-4,6-dimethylpyridine-3-carbonitrile, an Intermediate in the Synthesis of 5-Aminobenzo[<i>b</i>][1,8]naphthyridines","Acta Crystallographica Section C","1997","53","1","101","102","10.1107/S0108270196005276","","","0.71073","MoKα","","0.239","0.047","","","0.054","","","","","1.613","1.613","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2005845","21.454","0.004","9.107","0.002","17.364","0.003","90","","93.57","0.03","90","","3386","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tetramethylammonium sodium nitroprusside 2.5-hydrate","tetramethylammonium sodium nitrosylpentacyanoferrate (II) 2.5-hydrate","","- C9 H17 Fe N7 Na O3.5 -","- C9 H17 Fe N7 Na O3.5 -","- C72 H136 Fe8 N56 Na8 O28 -","8","1","BM1089","Longridge, J. J.; Rawson, J. M.; Davies, J. E.","A Mixed Cation Ternary Nitroprusside: [(CH~3~)~4~N][Na][Fe(CN)~5~(NO)].2.5H~2~O","Acta Crystallographica Section C","1997","53","1","15","17","10.1107/S0108270196011468","","","0.71073","MoKα","","0.066","0.0477","","0.1259","0.1155","","","","1.086","1.14","1.14","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2005846","16.088","0.002","16.088","0.002","5.197","0.001","90","","90","","120","","1164.9","0.3","120","1","120","1","","","","","","","","3","R -3 :H","-R 3","148","","hexakis[mercaptomethyl]benzene","","- C12 H18 S6 -","- C12 H18 S6 -","- C36 H54 S18 -","3","0.166667","BM1105","Mallinson, P. R.; MacNicol, D. D.; McCormack, K. L.; Yufit, D. S.; Gall, J. H.; Henderson, R. K.","Hexakis(mercaptomethyl)benzene: a Structure Possessing Well Ordered Homodromic [SH···S]~6~ Interactions","Acta Crystallographica Section C","1997","53","1","90","92","10.1107/S0108270196010499","","","0.71073","MoKα","","0.1663","0.0554","","0.123","0.104","","","","0.847","1.076","1.076","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005847","13.62","0.005","12.088","0.005","4.115","0.002","90","","90","","90","","677.5","0.5","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Bis(2-nitrophenyl)trisulphide","","- C12 H8 N2 O4 S3 -","- C12 H8 N2 O4 S3 -","- C24 H16 N4 O8 S6 -","2","0.5","BM1114","Cox, P. J.; Wardell, J. L.","A Polymorph of Bis(2-nitrophenyl) Trisulfide","Acta Crystallographica Section C","1997","53","1","122","124","10.1107/S0108270196012838","","","0.71069","MoKα","","0.0496","0.0478","","0.1105","0.1098","","","","1.089","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005848","21.393","0.004","11.586","0.002","22.635","0.005","90","","90.09","0.03","90","","5610.3","1.9","150","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H72 Cr2 N4 Na2 O22 -","- C46 H72 Cr2 N4 Na2 O22 -","- C184 H288 Cr8 N16 Na8 O88 -","4","0.5","BR1160","Borrmann, H.; Pirani, A. M.; Schrobilgen, G. J.","[2,2,2-Crypt-Na]~2~[Cr~2~(CO)~10~]: a Chromium(‒1) Carbonyl Structure with a Very Weakly Coordinating Cation","Acta Crystallographica Section C","1997","53","1","19","22","10.1107/S0108270196011390","","","0.71073","MoKα","","0.0486","","","0.0977","0.0879","","","","1.048","1.085","1.085","","","","","has coordinates","198515","2020-10-21","18:00:00",""
"2005849","16.505","0.004","11.657","0.003","21.918","0.006","90","","99.79","0.02","90","","4155.6","1.9","178","2","178","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{trans-(2,2,4,4-tetrafluoro-1,3-di-t-butyl-1,3-diphosphetane)}- pentacarbonyltungsten(0)","","- C15 H18 F4 O5 P2 W -","- C15 H18 F4 O5 P2 W -","- C120 H144 F32 O40 P16 W8 -","8","2","BS1001","Jones, P. G.; Thöne, C.","Metal Complexes of <i>trans</i>-2,2,4,4-Tetrafluoro-1,3-di-<i>tert</i>-butyl-1,3-diphosphetane","Acta Crystallographica Section C","1997","53","1","42","45","10.1107/S0108270196011870","","","0.71073","MoKα","","0.056","0.0306","","0.0786","0.0677","","","","0.993","1.037","1.037","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005850","19.99","0.006","7.096","0.003","8.606","0.003","90","","92.48","0.03","90","","1219.6","0.8","178","2","178","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","{trans-(2,2,4,4-tetrafluoro-1,3-di-t-butyl-1,3-diphosphetane)}- bis(chlorogold(I)) bis-dichloromethane solvate","","- C12 H22 Au2 Cl6 F4 P2 -","- C12 H22 Au2 Cl6 F4 P2 -","- C24 H44 Au4 Cl12 F8 P4 -","2","0.25","BS1001","Jones, P. G.; Thöne, C.","Metal Complexes of <i>trans</i>-2,2,4,4-Tetrafluoro-1,3-di-<i>tert</i>-butyl-1,3-diphosphetane","Acta Crystallographica Section C","1997","53","1","42","45","10.1107/S0108270196011870","","","0.71073","MoKα","","0.04","0.0268","","0.0618","0.0567","","","","1.045","1.057","1.057","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005851","11.368","0.002","13.49","0.003","13.573","0.003","61.62","0.03","84.55","0.03","87.83","0.03","1823","0.8","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","Bis (bistriphenylphosphineimine) hexamolybdate","","- C72 H60 Mo6 N2 O19 P4 -","- C72 H60 Mo6 N2 O19 P4 -","- C72 H60 Mo6 N2 O19 P4 -","1","0.5","BS1007","Hoppe, S.; Stark, J. L.; Whitmire, K. H.","Bis[bis(triphenylphosphine)iminium] Hexamolybdate","Acta Crystallographica Section C","1997","53","1","68","70","10.1107/S0108270196011791","","","0.71073","MoKα","","0.0713","0.0471","","0.1228","0.1086","","","","1.046","1.078","1.078","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005852","9.217","0.003","24.675","0.005","15.698","0.004","90","","102.89","0.02","90","","3480.2","1.6","300","","300","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","di-μ-thio-bis[chloro(oxo)bis(pyridine)molybdenum](Mo-Mo)","","- C30 H30 Cl2 Mo2 N6 O2 S2 -","- C30 Cl2 Mo2 N6 O2 S2 -","- C120 Cl8 Mo8 N24 O8 S8 -","4","1","CF1119","Mizutani, J.; Imoto, H.; Saito, T.","A Dinuclear Molybdenum Complex: [{MoClO(pyridine)~2~}~2~(μ-S)~2~].2C~5~H~5~N","Acta Crystallographica Section C","1997","53","1","47","50","10.1107/S0108270196010116","","","0.7107","MoKα","","","0.0633","","","0.0384","","","","","2.65","2.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005853","10.241","0.004","8.649","0.003","13.848","0.005","90","","109.93","0.03","90","","1153.2","0.7","293","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- As4 In2 Na2 O14 -","- As4 In2 Na2 O14 -","- As16 In8 Na8 O56 -","4","0.5","","","NaInAs~2~O~7~","Acta Crystallographica C","1997","53","","05","07","","","","","","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005854","8.789","0.004","17.3","0.007","8.595","0.003","90","","90","","90","","1306.9","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","aluminum potassium phospho-arsenate","","- Al2 As1.92 K3 O12 P1.08 -","- Al2 As1.925 K3 O12 P1.075 -","- Al8 As7.7 K12 O48 P4.3 -","4","1","DU1164","Boughzala, H.; Driss, A.; Jouini, T.","K~3~Al~2~As~1,92~P~1,08~O~12~","Acta Crystallographica Section C","1997","53","1","3","5","10.1107/S0108270196009894","","","0.71069","MoKα","","0.0923","0.0493","","0.0609","0.0537","","","","1.318","1.462","1.462","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005855","33.775","0.006","9.5143","0.0011","14.987","0.003","90","","105.433","0.014","90","","4642.4","1.4","294","","294","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di(hydridotetracarbonylosmium)diphenylgermane","","- C20 H12 Ge O8 Os2 -","- C20 H12 Ge O8 Os2 -","- C160 H96 Ge8 O64 Os16 -","8","1","FG1150","Leong, W. K.; Einstein, F. W. B.; Pomeroy, R. K.","Bisphenylbis[tetracarbonyl(hydrido)osmio]germane, Ph~2~Ge[Os(CO)~4~H]~2~","Acta Crystallographica Section C","1997","53","1","22","24","10.1107/S0108270196012061","","","0.7093","MoKα","","","0.045","","","0.055","","","","","3","3","","","","","has coordinates","192299","2020-10-21","18:00:00",""
"2005856","9.5247","0.0008","16.7749","0.0018","12.9718","0.0019","90","","97.574","0.009","90","","2054.5","0.4","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(mu-chloro)tri(mu-hydrido)dodecacarbonyltetraosmium","","- C12 H3 Cl O12 Os4 -","- C12 H3 Cl O12 Os4 -","- C48 H12 Cl4 O48 Os16 -","4","1","FG1152","Leong, W. K.; Einstein, F. W. B.; Pomeroy, R. K.","Two Chloro-Bridged Osmium Clusters","Acta Crystallographica Section C","1997","53","1","24","27","10.1107/S0108270196012073","","","0.7093","MolybdenumKα","","0.038","0.038","","0.041","0.041","","","","","3.2","3.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005857","8.8621","0.0015","9.3825","0.0015","15.9148","0.0023","80.815","0.013","85.332","0.013","62.828","0.013","1162.1","0.3","294","","294","","","","","","","","","5","P -1","-P 1","2","","(mu-chloro)tri(mu-hydrido)tetradecacarbonylpentaosmium","","- C14 H3 Cl O14 Os5 -","- C14 H3 Cl O14 Os5 -","- C28 H6 Cl2 O28 Os10 -","2","1","FG1152","Leong, W. K.; Einstein, F. W. B.; Pomeroy, R. K.","Two Chloro-Bridged Osmium Clusters","Acta Crystallographica Section C","1997","53","1","24","27","10.1107/S0108270196012073","","","0.7093","MolybdenumKα","","0.054","0.054","","0.063","0.063","","","","","3.2","3.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005858","9.493","0.001","11.426","0.001","14.932","0.002","90","","102.77","0.01","90","","1579.6","0.3","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Deoxy-1,2-O-isopropylidene-5-C-(5-carboethoxy-1,2,3-triazol-1-yl)- α-D-xylofuranose","","- C13 H19 N3 O6 -","- C13 H19 N3 O6 -","- C52 H76 N12 O24 -","4","2","FG1203","Horton, D.; Levine, B. R.; Norris, P.; Luck, R. L.; Silverton, J. V.","5-Deoxy-5-<i>C</i>-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1,2-<i>O</i>-isopropylidene-α-<small>D</small>-xylofuranose","Acta Crystallographica Section C","1997","53","1","120","122","10.1107/S0108270196012097","","","1.54184","copperKα","","","0.052","","","0.06","","","","","2.19","2.19","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005859","4.898","0.001","12.925","0.002","13.875","0.001","90","","90","","90","","878.4","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-acetyl-L-glutamic acid","","","- C7 H11 N O5 -","- C7 H11 N O5 -","- C28 H44 N4 O20 -","4","1","FG1211","Dobson, A. J.; Gerkin, R. E.","<i>N</i>-Acetyl-<small>L</small>-glutamic Acid","Acta Crystallographica Section C","1997","53","1","73","76","10.1107/S0108270196011882","","","0.71073","MoKα","","","0.031","","","0.039","","","","","1.66","1.66","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005860","5.8824","0.0007","12.451","0.002","6.7557","0.0008","90","","110.186","0.006","90","","464.41","0.11","296","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-cis Pinononic acid","(-)-cis-3-acetyl-2,2-dimethylcyclobutanecarboxylic acid","","- C9 H14 O3 -","- C9 H14 O3 -","- C18 H28 O6 -","2","1","FG1213","Coté, M. L.; Thompson, H. W.; Lalancette, R. A.","({-})-<i>cis</i>-Pinononic Acid: Hydrogen-Bonding Pattern of a δ-Keto Acid","Acta Crystallographica Section C","1997","53","1","102","106","10.1107/S0108270196012103","","","0.71073","MoKα","","0.0766","0.0425","","0.1016","0.0922","","","","0.836","1.033","1.033","","","","","has coordinates,has disorder","200179","2020-10-21","18:00:00",""
"2005861","7.6532","0.0015","7.769","0.002","12.177","0.002","90","","98.228","0.014","90","","716.6","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,4-trimethyl-1,2,4-triazolidine-3,5-dione","","- C5 H9 N3 O2 -","- C5 H9 N3 O2 -","- C20 H36 N12 O8 -","4","1","FG1225","Meyers, C. Y.; Lutfi, H. G.; Hou, Y.; Robinson, P. D.","Racemic 1,2,4-Trimethylurazole","Acta Crystallographica Section C","1997","53","1","98","100","10.1107/S0108270196011894","","","0.71069","MoKα","","","0.059","","","0.041","","","","","3.8","3.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005862","8.48","0.002","7.436","0.002","20.783","0.002","90","","93.5","0.02","90","","1308.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methylperimidinium acetate monohydrate","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","FG1235","Patnaik, S.; Vishnumurthy, K.; Sridhar, M.; Chandrasekhar, S.; Usha, K.; Guru Row, T. N.","2-Methylperimidinium Acetate Monohydrate","Acta Crystallographica Section C","1997","53","1","130","132","10.1107/S0108270196012589","","","1.5418","CuK~α~","","0.0753","0.0531","","0.1656","0.1289","","","","1.093","1.026","1.026","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005863","5.592","0.0001","21.3403","0.0005","9.7192","0.0002","90","","96.197","0.001","90","","1153.06","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O12 -","- C20 H23 N O12 -","- C40 H46 N2 O24 -","2","1","FR1003","Abboud, K. A.; Toporek, S. S.; Horenstein, B. A.","<i>p</i>-Nitrophenyl 2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","1997","53","1","118","120","10.1107/S0108270196012784","","","0.71073","MoKα","","0.0383","0.0344","","0.0909","0.0846","","","","1.124","1.108","1.108","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005864","7.046","0.004","6.287","0.004","24.486","0.005","90","","90.04","0.04","90","","1084.7","1","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Co N2 O12 S2 -","- C14 H28 Co N2 O12 S2 -","- C28 H56 Co2 N4 O24 S4 -","2","0.5","FR1012","Gunderman, B. J.; Dubey, S. N.; Squattrito, P. J.","Hexaaquacobalt(II) Bis(2-aminotoluene-4-sulfonate)","Acta Crystallographica Section C","1997","53","1","17","19","10.1107/S0108270196011419","","","0.7107","MoKα","","0.065","0.032","","0.049","0.03","","","","","1.76","1.76","","","","","has coordinates","176435","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",""
"2005866","18.0187","0.002","13.546","0.004","18.092","0.003","90","","115.389","0.012","90","","3989.4","1.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,5-Bis[4,4-dimethyl-1-(4-methylphenyl)-5-(1-piperidinio)-1-penten-3-ylidene]- carbonohydrazide Dichloride Methanol Solvate","","- C40 H62 Cl2 N6 O2 -","- C40 H62 Cl2 N6 O2 -","- C160 H248 Cl8 N24 O8 -","4","1","HA1170","Yang, J.; Kumar, P.; Dimmock, J. R.; Quail, J. W.","1,5-Bis[4,4-dimethyl-1-(4-methylphenyl)-5-(1-piperidinio)-1-penten-3-ylidene]carbonohydrazide Dichloride Methanol Solvate","Acta Crystallographica Section C","1997","53","1","140","143","10.1107/S0108270196012607","","","0.71073","MolybdenumKα","","0.123","0.056","","0.059","0.055","","","","","1.57","1.57","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005867","8.23","0.001","18.205","0.002","16.384","0.002","90","","99","0.01","90","","2424.5","0.5","288","2","288","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2-dihydronaphtho[3,4-b]cyclopenteno[1,2-e]-4H-pyran-4-one","","- C16 H14 O2 -","- C16 H14 O2 -","- C128 H112 O16 -","8","2","HA1171","Cao, Z.; Cao, X.; Zhang, D.-C.; Xu, F.; Yu, K.","1,2-Dihydronaphtho[3,4-<i>b</i>]cyclopenteno[1,2-<i>e</i>]-4<i>H</i>-pyran-4-one","Acta Crystallographica Section C","1997","53","1","144","146","10.1107/S010827019601270X","","","0.71073","MoKα","","0.0771","0.0377","","0.1093","0.0818","","","","0.85","1.034","1.034","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005868","6.3561","0.0014","9.892","0.002","14.937","0.003","90","","95.04","0.02","90","","935.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5S-3-Phenyl-5-(6'R,7R,14'R-1',8',13',16'-tetraoxadispiro[5.0.5.4] hexadecan-14'-yl)-4,5-dihydrooxisoxazole","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C42 H54 N2 O10 -","2","1","HA1176","Blake, A. J.; Gould, R. O.; Paton, R. M.; Todd, C. J.","(5<i>S</i>)-3-Phenyl-5-[(6<i>R</i>,7<i>R</i>,14<i>R</i>)-1,8,13,16-tetraoxadispiro[5.0.5.4]hexadecan-14-yl]-4,5-dihydroisoxazole: the Major Adduct Resulting from Cycloaddition of Benzonitrile Oxide to (6<i>R</i>,7<i>R</i>,14<i>S</i>)-14-Vinyl-1,8,13,16-tetraoxadispiro[5.0.5.4]hexadecane","Acta Crystallographica Section C","1997","53","1","116","117","10.1107/S0108270196012243","","","0.71073","MoKα","","0.0305","0.0276","","0.0766","0.0714","","","","1.095","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005869","13.366","0.001","7.3869","0.0007","29.892","0.003","90","","90","","90","","2951.3","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(4-bromophenyl)-2-fluoroethanone (2,4-dinitrophenyl)hydrazone","","- C14 H10 Br F N4 O4 -","- C14 H10 Br F N4 O4 -","- C112 H80 Br8 F8 N32 O32 -","8","1","HA1178","Borwick, S. J.; Howard, J. A. K.; Lehmann, C. W.; O'Hagan, D.","1-(4-Bromophenyl)-2-fluoroethanone (2,4-Dinitrophenyl)hydrazone Containing a Particularly Short Fluorine‒Hydrogen Bond","Acta Crystallographica Section C","1997","53","1","124","126","10.1107/S0108270196013133","","","0.71073","MoKα","","0.0496","0.0373","","0.0857","0.0771","","","","1.211","1.215","1.215","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005870","4.8781","0.001","10.475","0.001","30.2952","0.001","90","","90","","90","","1548","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Pyrazole-κN^2^)[N-salicylidene-κO-(S)-alaninato-κN,κO]copper(II) Dihydrate","","- C13 H17 Cu N3 O5 -","- C13 H17 Cu N3 O5 -","- C52 H68 Cu4 N12 O20 -","4","1","JZ1116","Warda, S. A.; Friebel, C.; Sivý, J.; Plesch, G.; Bláhová, M.","(Pyrazole-κ<i>N</i>^2^)[<i>N</i>-salicylidene-κ<i>O</i>-(<i>S</i>)-alaninato-κ^2^<i>N</i>,<i>O</i>]copper(II) Dihydrate and (Pyrazole-κ<i>N</i>^2^)[<i>N</i>-salicylidene-κ<i>O</i>-(<i>R</i>,<i>S</i>)-alaninato-κ^2^<i>N</i>,<i>O</i>]copper(II) Pyrazole Solvate","Acta Crystallographica Section C","1997","53","1","50","54","10.1107/S0108270196010992","","","1.54178","CuKα","","0.0436","0.0423","","0.1166","0.1152","","","","1.037","1.041","1.041","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005871","10.3223","0.0005","8.3892","0.0003","19.9025","0.0009","90","","97.533","0.004","90","","1708.6","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Pyrazole-κN^2^)[N-salicylidene-κO-(R,S)-alaninato-κN,κO]copper(II) Pyrazole Solvate","","- C16 H17 Cu N5 O3 -","- C16 H17 Cu N5 O3 -","- C64 H68 Cu4 N20 O12 -","4","1","JZ1116","Warda, S. A.; Friebel, C.; Sivý, J.; Plesch, G.; Bláhová, M.","(Pyrazole-κ<i>N</i>^2^)[<i>N</i>-salicylidene-κ<i>O</i>-(<i>S</i>)-alaninato-κ^2^<i>N</i>,<i>O</i>]copper(II) Dihydrate and (Pyrazole-κ<i>N</i>^2^)[<i>N</i>-salicylidene-κ<i>O</i>-(<i>R</i>,<i>S</i>)-alaninato-κ^2^<i>N</i>,<i>O</i>]copper(II) Pyrazole Solvate","Acta Crystallographica Section C","1997","53","1","50","54","10.1107/S0108270196010992","","","1.54178","CuKα","","0.0686","0.0681","","0.1833","0.1826","","","","1.145","1.152","1.152","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005872","21.374","0.006","13.072","0.008","23.771","0.012","90","","105.11","0.03","90","","6412","5","208","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Di-[bis-(triphenylphosphoranylidene)-ammonium Fluoropentachloroosmate(IV) Hydrate","","- C72 H62 Cl5 F N2 O Os P4 -","- C72 H62 Cl5 F N2 O Os P4 -","- C288 H248 Cl20 F4 N8 O4 Os4 P16 -","4","1","JZ1142","Bruhn, C.; Preetz, W.","Bis[bis(triphenylphosphoranylidene)ammonium] Pentachlorofluoroosmate(IV) Hydrate, [(C~6~H~5~)~3~P= N= P(C~6~H~5~)~3~]~2~[OsFCl~5~].H~2~O","Acta Crystallographica Section C","1997","53","1","63","66","10.1107/S010827019601061X","","","0.71069","MoKα","","0.1222","0.0479","","0.106","0.076","","","","1.162","1.108","1.108","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005873","9.141","0.002","9.16","0.002","10.736","0.004","90.28","0.02","90.52","0.02","90.11","0.02","898.9","0.4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- K2 Mg O10 P2 W -","- K2 Mg O10 P2 W -","- K8 Mg4 O40 P8 W4 -","4","4","JZ1148","Peuchert, U.; Bohatý, L.; Schreuer, J.","The Triclinic Room-Temperature Modification of K~2~MgWO~2~(PO~4~)~2~","Acta Crystallographica Section C","1997","53","1","11","14","10.1107/S0108270196011389","","","0.71073","MoKα","","0.0227","0.0213","","0.0514","0.0507","","","","1.067","1.071","1.071","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005874","5.377","0.001","10.488","0.001","20.32","0.002","77.41","0.01","86.14","0.01","80.28","0.01","1101.8","0.3","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H7 N3 O2 S -","- C12 H7 N3 O2 S -","- C48 H28 N12 O8 S4 -","4","2","KA1205","Özbey, S.; Temel, A.; Özgün, B. H.; Ertan, N.","2-(2-Thiazolylhydrazono)indan-1,3-dione","Acta Crystallographica Section C","1997","53","1","113","116","10.1107/S0108270196011742","","","0.71073","MoKα","","","0.038","","","0.041","","","","","0.93","0.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005875","30.136","0.009","6.902","0.002","16.92","0.006","90","","120.23","0.02","90","","3040.7","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aquabis(salicyaldoximato)zinc","","- C14 H14 N2 O5 Zn -","- C14 H14 N2 O5 Zn -","- C112 H112 N16 O40 Zn8 -","8","1","KA1207","Potočňák, I.; Heinemann, F. W.; Rausch, M.; Steinborn, D.","Aquabis(salicylaldoximato)zinc","Acta Crystallographica Section C","1997","53","1","54","56","10.1107/S0108270196011353","","","0.71073","MoKα","","0.072","0.0526","","0.1746","0.1342","","","","1.171","1.204","1.204","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2005876","14.978","0.003","16.703","0.003","18.847","0.003","90","","90","","90","","4715.1","1.5","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","1,2-bis(2,6-diethylphenyl)-3,3-(oxydiethyl)guanidine","","- C25 H35 N3 O -","- C25 H35 N3 O -","- C200 H280 N24 O8 -","8","","KA1214","Sudha, L.; Subramanian, K.; Senthil Selvan, J.; Steiner, Th.; Koellner, G.; Ramdas, K.; Srinivasan, N.","1,2-Bis(2,6-diethylphenyl)-3,3-(oxydiethyl)guanidine","Acta Crystallographica Section C","1997","53","1","88","90","10.1107/S0108270196011080","","","1.54176","CuKα","","0.0573","0.045","","0.1331","0.1268","","","","1.056","1.123","1.123","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005877","14.996","0.002","9.8324","0.0012","13.461","0.002","90","","116.609","0.006","90","","1774.6","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,6,8-Trimethylazulene-Picric Acid","","","- C19 H17 N3 O7 -","- C19 H17 N3 O7 -","- C76 H68 N12 O28 -","4","1","KA1217","Näther, C.; Arad, C.; Bock, H.","The Donor‒Acceptor Complex between 4,6,8-Trimethylazulene and Picric Acid","Acta Crystallographica Section C","1997","53","1","76","79","10.1107/S0108270196011766","","","0.71073","MoKα","","0.0627","0.0459","","0.1334","0.1203","","","","1.025","1.053","1.053","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005878","5.3243","0.0007","6.9487","0.0011","12.1489","0.0014","83.429","0.011","87.055","0.009","71.914","0.009","424.4","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N'-bis(4-metylbenzoyl)-p-phenylenediamine","N,N'-bis(4-methylbenzoyl)-1,4-benzenediamine","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","1","0.5","KA1219","Nagel, N.; Näther, C.; Bock, H.","<i>N</i>,<i>N</i>'-Bis(4-methylbenzoyl)-<i>p</i>-phenylenediamine at 200K","Acta Crystallographica Section C","1997","53","1","79","81","10.1107/S0108270196011778","","","0.71073","MoKα","","0.0511","0.0399","","0.1094","0.1011","","","","1.061","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005879","18.07","0.003","21.23","0.004","9.021","0.002","90","","90","","90","","3460.7","1.2","296","1","","","","","","","","","","5","A b a 2","A 2 -2ab","41","","1,2-Bis(diphenylphosphino)ethanebis(toluenethiol)palladium(II), Pd{Ph~2~P(CH~2~)~2~PPh~2~}(SCH~2~Ph)~2~","","- C40 H38 P2 Pd S2 -","- C40 H38 P2 Pd S2 -","- C160 H152 P8 Pd4 S8 -","4","","KH1116","Su, W.; Hong, M.; Cao, R.; Liu, H.","[1,2-Bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']bis(α-toluenethiolato-<i>S</i>)palladium(II), [Pd{Ph~2~P(CH~2~)~2~PPh~2~}(SCH~2~Ph)~2~]","Acta Crystallographica Section C","1997","53","1","66","67","10.1107/S0108270196012036","","","0.71073","MoKα","","","0.039","","","0.054","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005880","6.09","0.004","7.66","0.004","10.356","0.007","90","","90","","90","","483.1","0.5","298","1","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Phosphonoacetic acid","","- C2 H5 O5 P -","- C2 H5 O5 P -","- C8 H20 O20 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0318","0.0252","","0.0712","0.068","","","","1.127","1.135","1.135","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005881","6.99","0.004","6.266","0.003","15.932","0.008","90","","98.41","0.04","90","","690.3","0.6","297","1","297","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium phosphonoacetate hydrate","","- C2 H6 K O6 P -","- C2 H6 K O6 P -","- C8 H24 K4 O24 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0555","0.0353","","0.0995","0.0923","","","","1.075","1.124","1.124","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005882","7.949","0.004","9.931","0.005","8.407","0.004","90","","99.73","0.04","90","","654.1","0.6","297","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium phosphonoacetate hydrate","","- C2 H6 K O6 P -","- C2 H6 K O6 P -","- C8 H24 K4 O24 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0822","0.0375","","0.105","0.0934","","","","1.041","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005883","6.812","0.004","10.258","0.004","9.285","0.004","90","","100.84","0.04","90","","637.2","0.5","303","1","303","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ammonium phosphonoacetate","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0665","0.0293","","0.0879","0.0768","","","","1.042","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005884","6.516","0.003","10.596","0.004","7.348","0.003","90","","95.82","0.04","90","","504.7","0.4","297","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Lithium phosphonoacetate","","- C2 H4 Li O5 P -","- C2 H4 Li O5 P -","- C8 H16 Li4 O20 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.033","0.024","","0.074","0.0702","","","","1.076","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005885","5.806","0.002","17.43","0.006","14.607","0.005","90","","90","","90","","1478.2","0.9","295","1","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","sodium phosphonoacetate dihydrate","","- C2 H8 Na O7 P -","- C2 H8 Na O7 P -","- C16 H64 Na8 O56 P8 -","8","2","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","1.5418","CuKα","","0.0408","0.0378","","0.1048","0.1026","","","","1.082","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005886","9.26","0.004","10.163","0.004","6.885","0.004","90","","95.95","0.04","90","","644.5","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dipotassium phosphonoacetate","","- C2 H3 K2 O5 P -","- C2 H3 K2 O5 P -","- C8 H12 K8 O20 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0545","0.0272","","0.0806","0.0731","","","","1.013","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005887","9.568","0.007","10.407","0.009","7.087","0.006","90","","93.89","0.07","90","","704.1","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diammonium phosphonoacetate","","- C2 H11 N2 O5 P -","- C2 H11 N2 O5 P -","- C8 H44 N8 O20 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.039","0.0352","","0.0955","0.0928","","","","1.1","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005888","11.76","0.02","6.78","0.004","19.64","0.02","90","","101.42","0.09","90","","1535","3","297","1","297","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","disodium phosphonoacetate dihydrate","","- C2 H7 Na2 O7 P -","- C2 H7 Na2 O7 P -","- C16 H56 Na16 O56 P8 -","8","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0801","0.0513","","0.1532","0.1371","","","","1.034","1.104","1.104","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005889","6.883","0.006","10.982","0.009","14.148","0.009","90","","90.19","0.06","90","","1069.4","1.4","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","triammonium phosphonoacetate dihydrate","","- C2 H18 N3 O7 P -","- C2 H18 N3 O7 P -","- C8 H72 N12 O28 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0592","0.0284","","0.0863","0.0771","","","","1.063","1.14","1.14","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005890","7.891","0.006","24.846","0.017","8.324","0.006","90","","101.46","0.06","90","","1599","2","297","1","297","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","trisodium phosphonoacetate decahydrate","","- C2 H22 Na3 O15 P -","- C2 H22 Na3 O15 P -","- C8 H88 Na12 O60 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0719","0.0372","","0.1027","0.0922","","","","1.019","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005891","12.688","0.002","11.894","0.004","16.876","0.002","90","","101.78","0.01","90","","2493.1","1","295","","298","","","","","","","","","4","P 1 21 1","","","","(+)-1-allyl-N'-(5R,8S)[9,10-didehydro-6-methylergolin-8-yl]-N,N-diethylurea (+)(S)-2-(6-methoxy-2-naphthyl)propionic acid","","- C54 H68 N4 O9 -","- C54 H68 N4 O9 -","- C108 H136 N8 O18 -","2","1","NA1243","Bachechi, F.; Flieger, M.; Sinibaldi, M.","Complex of a Lisuride Derivative and (<i>S</i>)-Naproxen","Acta Crystallographica Section C","1997","53","1","136","140","10.1107/S0108270196009870","","","1.54178","CuKα","","","0.049","","","0.0566","","","","","2.03","2.03","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2005892","12.6","0.003","7.258","0.001","6.162","0.001","90","","114.49","0.03","90","","512.8","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Diguanidinium hexafluorate silicate","","","- C2 H12 F6 N6 Si -","- C2 H12 F6 N6 Si -","- C4 H24 F12 N12 Si2 -","2","0.25","NA1247","Waskowska, A.","Diguanidinium Hexafluorosilicate","Acta Crystallographica Section C","1997","53","1","128","130","10.1107/S0108270196011717","","","0.71073","MoKα","","0.0389","0.0304","","0.062","0.059","","","","1.04","1.052","1.052","","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2005893","13.6293","0.0006","10.364","0.001","33.859","0.002","90","","100.236","0.003","90","","4706.6","0.6","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,8-Dimethyl-5-(4-fluorophenyl)-2-(p-toluolylaminomethyl)-2,3-dihydro- 1H-1,4-benzodiazepine Monohydrate.","","- C26 H28 F N3 O2 -","- C26 H28 F N3 O2 -","- C208 H224 F8 N24 O16 -","8","2","NA1261","Peeters, O. M.; Blaton, N. M.; de Ranter, C. J.","5-(4-Fluorophenyl)-1,8-dimethyl-2-(<i>p</i>-toluoylaminomethyl)-2,3-dihydro-1<i>H</i>-1,4-benzodiazepine Monohydrate","Acta Crystallographica Section C","1997","53","1","95","97","10.1107/S0108270196011729","","","1.54184","CuKα","","0.1319","0.0532","","0.1799","0.1418","","","","0.853","1.255","1.255","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005894","8.813","0.001","9.597","0.001","12.805","0.002","70.12","0.01","84.45","0.01","67.87","0.01","942.8","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","2,6-dimethyl-4-(3-nitrophenyl)pyridinium-3,5-dicarboxylate nitrate monohydrate","","- C15 H15 N3 O10 -","- C15 H21 N3 O13 -","- C30 H42 N6 O26 -","2","1","PA1241","Rowan, K. R.; Holt, E. M.","3,5-Dicarboxy-2,6-dimethyl-4-(3-nitrophenyl)pyridinium Nitrate Monohydrate","Acta Crystallographica Section C","1997","53","1","106","108","10.1107/S0108270196011821","","","0.71073","MoKα","","","0.046","","","0.0561","","","","","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005895","12.399","0.001","7.09","0.001","12.939","0.002","90","","108.49","0.01","90","","1078.7","0.2","293","2","293","2","","","","","","","","3","C 1 m 1","C -2y","8","","Osmiumstannat","","- O14 Os3 Sn15 -","- O14 Os3 Sn15 -","- O28 Os6 Sn30 -","2","0.5","SK1025","Söhnel, T.; Reichelt, W.","Os~3~Sn~15~O~14~, ein ternäres Oxid mit osmiumgefüllten Sn~6~-Oktaedern","Acta Crystallographica Section C","1997","53","1","9","11","10.1107/S0108270196009560","","","0.71073","MoKα","","0.041","0.0344","","0.0893","0.0871","","","","1.049","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005896","14.6057","0.0002","9.237","0.0001","18.6333","0.0003","90","","91.79","0.001","90","","2512.64","0.06","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 O11 -","- C25 H28 O11 -","- C100 H112 O44 -","4","1","SK1033","Boehlow, T. R.; Rath, N. P.; Spilling, C. D.","Methyl 4-Hydroxy-3-[4-methoxy-2-(methoxymethyleneoxy)phenyl]-2-{[4-methoxy-2-(methoxymethyleneoxy)phenyl]methyl}-5-oxo-2,5-dihydrofuran-2-carboxylate","Acta Crystallographica Section C","1997","53","1","92","95","10.1107/S0108270196011602","","","0.71073","MoKα","","0.0913","0.0753","","0.25","0.2142","","","","1.095","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005897","16.942","0.001","16.942","0.001","5.9187","0.0004","90","","90","","120","","1471.25","0.16","298","2","298","2","","","","","","","","4","R 3 :H","R 3","146","tribenzyltin chloride","chlorotris(phenylmethyl)stannane","","- C21 H21 Cl Sn -","- C21 H21 Cl Sn -","- C63 H63 Cl3 Sn3 -","3","0.333333","SK1046","Ng, S. W.","Tribenzyltin Chloride","Acta Crystallographica Section C","1997","53","1","56","58","10.1107/S0108270196011614","","","0.71073","MoKα","","0.0229","0.0229","","0.0563","0.0563","","","","1.065","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005898","9.4512","0.0007","9.8717","0.0006","21.145","0.002","90","","90.693","0.009","90","","1972.7","0.3","291","","291","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 F3 O2 -","- C10 H7 F3 O2 -","- C80 H56 F24 O16 -","8","2","SX1008","Swenson, D. C.; Lu, H.; Burton, D. J.","(<i>Z</i>)-3-Phenyl-2-(trifluoromethyl)prop-2-enoic Acid: a Hydrogen-Bonded Dimer","Acta Crystallographica Section C","1997","53","1","111","113","10.1107/S0108270196010803","","","1.54184","CuKα","","0","0.056","","","0.082","","","","","1.175","1.175","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005899","17.133","0.003","13.714","0.001","10.776","0.001","90","","98.6","0.01","90","","2503.5","0.5","292.7","","292.7","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 Cl2 Cu2 N2 O2 P2 S4 -","- C50 H44 Cl2 Cu2 N2 O2 P2 S4 -","- C100 H88 Cl4 Cu4 N4 O4 P4 S8 -","2","0.5","TA1094","Shibahara, T.; Kobayashi, S.; Long, D.; Xin, X.","Bis{μ-chloro-[2(3<i>H</i>)-benzothiazolethione](triphenylphosphine)copper(I)} Dihydrate","Acta Crystallographica Section C","1997","53","1","58","60","10.1107/S0108270196011961","","","1.5418","CuKα","","","0.065","","","0.0859","","","","","1.658","1.658","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2005900","14.453","0.002","10.149","0.003","17.136","0.001","90","","91.315","0.007","90","","2512.9","0.8","213","1","213","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl3 N O8 -","- C22 H23 Cl3 N O8 -","- C88 H92 Cl12 N4 O32 -","4","1","TA1095","Banwell, M. G.; Hockless, D. C. R.; Peters, S. C.","A Possible Synthetic Precursor to the Tropoloisoquinoline Alkaloid Pareirubrine A","Acta Crystallographica Section C","1997","53","1","109","111","10.1107/S0108270196009092","","","1.5418","CuKα","","","0.0615","","","0.0641","","","","","2.175","2.175","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005901","11.428","0.003","11.171","0.003","11.956","0.003","90","","106.86","0.02","90","","1460.7","0.7","294","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H34 Mo6 N4 O30 Zn -","- H34 Mo6 N4 O30 Zn -","- H68 Mo12 N8 O60 Zn2 -","2","0.5","","Allen, C. C.; Burns, R. C.; Lawrance, G. A.; Turner, P.; Hambley, T. W.","Tetraammonium Hexahydrogenhexamolybdozincate(II) Hexahydrate","Acta Crystallographica, Section C: Crystal Structure Communications","1997","53","1","7","9","10.1107/s0108270196011043","","","","","","","","","","","","","","","","","","","","","has coordinates","199747","2020-10-21","18:00:00",""
"2005902","9.405","0.001","7.669","0.002","9.436","0.001","90","","104.177","0.009","90","","659.9","0.2","296","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H20 N3 O8 P -","- C6 H20 N3 O8 P -","- C12 H40 N6 O16 P2 -","2","1","TA1109","Suga, T.; Okabe, N.","<small>L</small>-Histidinol Phosphate Tetrahydrate","Acta Crystallographica Section C","1997","53","1","134","136","10.1107/S0108270196012516","","","0.71069","MoKα","","","0.036","","","0.049","","","","","1.87","1.87","","","","","has coordinates","203508","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",""
"2005904","7.9656","0.0011","9.7996","0.001","12.036","0.002","86.45","0.02","80.28","0.02","77.45","0.02","903.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,2-diphenyl-3-benzyl-guanidine hydrochloride","","- C20 H20 Cl N3 -","- C20 H20 Cl N3 -","- C40 H40 Cl2 N6 -","2","1","TA1114","Sudha, L.; Subramanian, K.; Senthil Selvan, J.; Steiner, Th.; Koellner, G.; Ramdas, K.; Srinivasan, N.","1,2-Diphenyl-3-benzylguanidine Hydrochloride","Acta Crystallographica Section C","1997","53","1","86","88","10.1107/S010827019601195X","","","1.54176","CuKα","","0.0366","0.0353","","0.0929","0.0922","","","","1.078","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005905","16.331","0.006","29.61","0.01","10.854","0.005","90","","90","","90","","5249","4","296","","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C50 H48 Cl4 N2 O7 P2 Re2 -","- C50 H44 Cl4 N2 O7 P2 Re2 -","- C200 H176 Cl16 N8 O28 P8 Re8 -","4","1","AB1373","Gerber, T. I. A.; Perils, J.; Du Preez, J. G. H.; Bandoli, G.","Chelation of 2,6-Bis(hydroxymethyl)pyridine in <i>cis</i>-Dichloro(triphenylphosphine-<i>P</i>)[2-(oxymethylene-<i>O</i>)-6-(hydroxymethyl)pyridine-<i>N</i>]oxorhenium(V)‒Water (2/1)","Acta Crystallographica Section C","1997","53","2","217","219","10.1107/S0108270196013030","","","0.71073","MoKα","","","0.0443","","","0.0597","","","","","0.85","0.85","","","","","has coordinates","191095","2020-10-21","18:00:00",""
"2005906","12.356","0.0011","13.624","0.0012","14.705","0.0015","90","","90","","90","","2475.4","0.4","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Mo O4 -","- C12 H14 Mo O4 -","- C96 H112 Mo8 O32 -","8","1","AB1394","Ülkü, D.; Tahir, M. N.; Özkar, S.","Tetracarbonyl(η^2:2^-1,5-cyclooctadiene)molybdenum(0)","Acta Crystallographica Section C","1997","53","2","185","187","10.1107/S0108270196012723","","","0.71073","MoKα","","","0.029","","","0.034","","","","","0.74","0.74","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005907","7.627","0.001","9.054","0.001","14.6","0.001","78.64","0.01","84.91","0.01","63.67","0.01","885.9","0.18","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H42 Co N4 O10 -","- C34 H42 Co N4 O10 -","- C34 H42 Co N4 O10 -","1","0.5","AB1409","Hökelek, T.; Necefouglu, H.","Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>^1^)bis(2-hydroxybenzoato-<i>O</i>)cobalt(II)","Acta Crystallographica Section C","1997","53","2","187","189","10.1107/S0108270196013170","","","0.71073","MoKα","","","0.05","","","0.056","","","","","1.56","1.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005908","11.582","0.002","9.407","0.002","18.429","0.004","90","","108.14","0.02","90","","1908.1","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","wwanthra","9,10-bis[2-ethynyl(4-N,N-diphenylamino)phenyl]anthracene","","- C54 H36 N2 -","- C54 H36 N2 -","- C108 H72 N4 -","2","0.5","BK1186","Venkataraman, D.; Wang, P.-W.; Moore, J. S.","9,10-Bis{2-[4-(<i>N</i>,<i>N</i>-diphenylamino)phenyl]ethynyl}anthracene","Acta Crystallographica Section C","1997","53","2","241","243","10.1107/S0108270196012620","","","0.71073","MoKα","","0.0747","0.0438","","0.1228","0.1057","","","","1.04","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005909","3.9237","0.0001","11.9223","0.0002","17.7519","0.0003","90","","97.034","0.002","90","","824.18","0.03","173","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-bromo-2,6-dichlorobenzonitrile","","- C7 H2 Br Cl2 N -","- C7 H2 Br Cl2 N -","- C28 H8 Br4 Cl8 N4 -","4","1","BK1210","Britton, D.","4-Bromo-2,6-dichlorobenzonitrile","Acta Crystallographica Section C","1997","53","2","225","227","10.1107/S0108270196012656","","","0.71069","MoKα","","","0.046","","","0.056","","","","","1.74","1.74","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005910","8.76","0.009","7.869","0.005","14.04","0.01","90","","93.12","0.07","90","","966.4","1.4","153","2","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4-Dinitrocinnamic acid","E-3-(2,4-Dinitrophenyl)-2-propenoic acid","","- C9 H6 N2 O6 -","- C9 H6 N2 O6 -","- C36 H24 N8 O24 -","4","1","BK1250","Thalladi, V. R.; Sharma, C. V. K.; Desiraju, G. R.","2,4-Dinitro-<i>trans</i>-cinnamic Acid","Acta Crystallographica Section C","1997","53","2","227","229","10.1107/S0108270196012310","","","0.71069","MoKα","","0.06","0.04","","0.091","0.084","","","","1.024","1.124","1.124","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005911","13.098","0.003","13.211","0.003","12.578","0.003","90","","90","","90","","2176.5","0.9","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis[1,2-bis(dimethylamino)ethane]tetrachlorothorium(IV)","","- C12 H32 Cl4 N4 Th -","- C12 H32 Cl4 N4 Th -","- C48 H128 Cl16 N16 Th4 -","4","1","BK1289","Rabinovich, D.; Schimek, G. L.; Pennington, W. T.; Nielsen, J. B.; Abney, K. D.","Tetrachlorobis(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-<i>N</i>,<i>N</i>')thorium(IV)","Acta Crystallographica Section C","1997","53","2","191","193","10.1107/S0108270196012796","","","0.71073","MoKα","","0.036","0.0313","","0.036","0.0356","","","","","1.65","1.65","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005912","8.4511","0.0013","9.8471","0.0016","12.2407","0.0018","111.352","0.012","91.97","0.014","108.781","0.011","884.8","0.3","295","","","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 N4 -","- C20 H24 N4 -","- C40 H48 N8 -","2","1","BM1050","Ülkü, D.; Tahir, M. N.; Çetinkaya, B.; Özdemir, I.","<i>cis</i>-1,1'-Dimethyl-3,3'-diphenyl-2,2'-biimidazolidinylidene","Acta Crystallographica Section C","1997","53","2","240","241","10.1107/S0108270196013121","","","0.71073","MoKα","","","0.046","","","0.057","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005913","21.174","0.004","21.174","0.004","15.119","0.002","90","","90","","90","","6778","2","293","2","293","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","Bis(tetraethylammonium) bis(μ-sulfido)-bis[(1,2,3,4-tetrathiabutan-1,4-diyl-S,S)thiotungstate(V)]","","- C16 H40 N2 S12 W2 -","- C16 H30 N2 S12 W2 -","- C128 H240 N16 S96 W16 -","8","0.5","BM1055","Mukherjee, A. K.; Das, P. K.; Mukherjee, M.; Chakraborty, P. K.; Bhattacharya, R.","Disorder in Bis(tetraethylammonium) Bis(μ-sulfido)bis[(1,2,3,4-tetrathiabutane-1,4-diyl-<i>S</i>,<i>S</i>)thiotungstate(V)]","Acta Crystallographica Section C","1997","53","2","209","212","10.1107/S0108270196011699","","","0.71073","MoKα","","0.0676","0.0484","","0.1244","0.1139","","","","1.044","1.09","1.09","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005914","11.932","0.002","10.032","0.008","15.309","0.003","90","","109.73","0.01","90","","1724.9","1.4","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Trimethyl[9-(dimethylaminomethyl)carbazole]gallium","","- C18 H25 Ga N2 -","- C18 H25 In N2 -","- C72 H100 In4 N8 -","4","1","BM1084","Gu, W.; Pan, Y.; Shen, Y.; Huang, X.; Sun, H.; Sun, X.","[(Carbazolylmethyl)dimethylamine-<i>N</i>]trimethylgallium","Acta Crystallographica Section C","1997","53","2","190","191","10.1107/S0108270196011705","","","0.71073","MoKα","","","0.04","","","0.048","","","","","1.4","1.4","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2005915","9.144","0.001","11.087","0.002","13.241","0.001","91.64","0.02","102.62","0.01","112.09","0.02","1204.6","0.3","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N8 Ni O10 -","- C20 H22 N8 Ni O10 -","- C40 H44 N16 Ni2 O20 -","2","1","BM1107","Tahir, M. N.; Ülkü, D.; Nazir, H.; Atakol, O.","Bis{2-[(3-aminopropyl)iminomethyl]-4,6-dinitrophenolato-<i>O</i>,<i>N</i>,<i>N</i>'}nickel(II)","Acta Crystallographica Section C","1997","53","2","181","183","10.1107/S0108270196012966","","","0.71073","MoKα","","","0.031","","","0.038","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005916","10.73","0.001","27.197","0.004","10.127","0.002","90","","99.44","0.01","90","","2915.3","0.8","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27.7 H36.3 B Cu F4 N4.7 O2.3 -","- C27.7 H35.1 B Cu F4 N4.7 O2.3 -","- C110.8 H140.4 B4 Cu4 F16 N18.8 O9.2 -","4","1","BM1108","Fenton, D. E.; He, Q.-Y.; McKee, V.","[6-(2-Pyridylmethyl)-2,6,10-triazaundecane-1,11-diylbis(2-phenolato)(1 ‒)]copper(II) Tetrafluoroborate Methanol Acetonitrile Solvate (1/1/0.3/0.7)","Acta Crystallographica Section C","1997","53","2","207","209","10.1107/S0108270196012978","","","0.71073","MoKα","","0.0855","0.0524","","0.1273","0.1024","","","","1.179","1.216","1.216","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005917","6.284","0.003","14.415","0.007","25.633","0.013","90","","96.42","0.03","90","","2307","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 O -","- C31 H24 O -","- C124 H96 O4 -","4","1","BM1112","Nastopoulos, V.; Kallitsis, J.; Naarmann, H.; Dideberg, O.; Dupont, L.","2',3'-Diphenyl-Substituted <i>p</i>-Terphenyls","Acta Crystallographica Section C","1997","53","2","248","251","10.1107/S0108270196013467","","","1.5418","CuKα","","0.0679","0.0416","","0.123","0.1151","","","","1.007","1.183","1.183","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005918","10.2274","0.0006","10.6632","0.0009","22.7258","0.0013","90","","102.799","0.01","90","","2416.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 O2 -","- C32 H26 O2 -","- C128 H104 O8 -","4","1","BM1112","Nastopoulos, V.; Kallitsis, J.; Naarmann, H.; Dideberg, O.; Dupont, L.","2',3'-Diphenyl-Substituted <i>p</i>-Terphenyls","Acta Crystallographica Section C","1997","53","2","248","251","10.1107/S0108270196013467","","","1.5418","CuKα","","0.078","0.0523","","0.1637","0.1539","","","","1.101","1.268","1.268","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005919","23.2581","0.0013","13.8504","0.0006","7.5293","0.0005","90","","90","","90","","2425.4","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba~6~V~4~O~5~S~11~","","- Ba6 O5 S11 V4 -","- Ba6 O5 S11 V4 -","- Ba24 O20 S44 V16 -","4","0.5","BR1155","Litteer, J. B.; Fettinger, J. C.; Eichhorn, B. W.","Ba~6~V~4~O~5~S~11~","Acta Crystallographica Section C","1997","53","2","163","165","10.1107/S0108270196011687","","","0.71073","MoKα","","0.0464","0.0394","","0.1023","0.0979","","","","1.061","1.089","1.089","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005920","8.5613","0.0004","7.11","0.0003","5.1851","0.0001","111.441","0.002","89.986","0.003","103.065","0.004","284.99","0.02","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Tetralithium diphosphate","","","- Li4 O7 P2 -","- Li4 O7 P2 -","- Li8 O14 P4 -","2","1","BR1158","Daidouh, A.; Veiga, M. L.; Pico, C.; Martinez-Ripoll, M.","A New Polymorph of Li~4~P~2~O~7~","Acta Crystallographica Section C","1997","53","2","167","169","10.1107/S0108270196011869","","","0.7107","MoKα","","0.0309","0.0291","","0.0945","0.0934","","","","1.34","1.365","1.365","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005921","9.7337","0.0008","7.2012","0.0006","12.5976","0.0012","90","","90","","90","","883.02","0.13","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Potassium Tungsten Selenide","","","- K2 Se4 W -","- K2 Se4 W -","- K8 Se16 W4 -","4","0.5","BR1161","Röhnert, D.; Näther, C.; Bensch, W.","K~2~WSe~4~","Acta Crystallographica Section C","1997","53","2","165","167","10.1107/S0108270196013765","","","0.71073","MoKα","","0.0605","0.0321","","0.086","0.0788","","","","1.026","1.136","1.136","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005922","13.641","0.003","7.034","0.001","12.403","0.002","90","","94.66","0.03","90","","1186.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","η^5^-Cyclopentadienyl Phenylimido Vanadium Dichloride","","- C11 H10 Cl2 N V -","- C11 H10 Cl2 N V -","- C44 H40 Cl8 N4 V4 -","4","1","CF1112","Chan, M. C. W.; Cole, J. M.; Gibson, V. C.; Howard, J. A. K.","Dichloro(η^5^-cyclopentadienyl)(phenylimido)vanadium(V)","Acta Crystallographica Section C","1997","53","2","202","204","10.1107/S0108270196012875","","","0.71073","MoKα","","0.1245","0.0545","","0.0905","0.0795","","","","0.994","1.169","1.169","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005923","8.83","0.002","9.363","0.002","10.134","0.002","90","","90","","90","","837.8","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-deoxy-Me-α-D-mannopyranoside","3-deoxy Methyl-α-D-arabino hexopyranoside","","- C7 H14 O5 -","- C7 H14 O5 -","- C28 H56 O20 -","4","1","CF1140","Evdokimov, A. G.; Frolow, F.","Methyl 3-Deoxy-α-<small>D</small>-<i>arabino</i>-hexopyranoside","Acta Crystallographica Section C","1997","53","2","264","266","10.1107/S0108270196012863","","","0.71073","MoKα","","0.0788","0.0593","","0.1197","0.1072","","","","1.078","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005924","29.3869","0.0014","12.1954","0.0008","13.57","0.0009","90","","103.845","0.005","90","","4722","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H5 F3 Fe4 O11 -","- C20 H5 F3 Fe4 O11 -","- C160 H40 F24 Fe32 O88 -","8","1","CF1141","Muir, K. W.; Manojlovic-Muir, L.; Morrice, F.; Guennou, K.; Pétillon, F.; Rumin, R.","A Tetranuclear Iron Cluster Complex: [{Fe(CO)~3~}~3~{μ~3~-CC[Fe(CO)~2~(η^5^-C~5~H~5~)]C(CF~3~)}]","Acta Crystallographica Section C","1997","53","2","219","222","10.1107/S0108270196012632","","","0.71073","MoKα","","0.1078","0.0406","","0.0941","0.0741","","","","1.023","1.067","1.067","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005925","6.776","0.001","17.928","0.001","21.642","0.001","90","","90","","90","","2629.1","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9β-hydroxy-28-methoxy-11,28-dioxo-1,2-dinor-10α-18β-olean-12-en-3,10β-olide","","- C29 H42 O6 -","- C29 H42 O6 -","- C116 H168 O24 -","4","1","CF1142","Gzella, A.; Zaprutko, L.; Wrzeciono, U.","Triterpenoide. X. Über neue isomere Triterpenlactone","Acta Crystallographica Section C","1997","53","2","261","264","10.1107/S0108270196012887","","","1.54178","CuKα","","0.0495","0.0404","","0.1224","0.117","","","","1.061","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005926","10.303","0.001","6.864","0.001","18.844","0.001","90","","90.88","0.01","90","","1332.5","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","9β-hydroxy-28-methoxy-11,28-dioxo-1,2-dinor-10α-18α-olean-12-en-3,10β-olide","","- C29 H42 O6 -","- C29 H42 O6 -","- C58 H84 O12 -","2","1","CF1142","Gzella, A.; Zaprutko, L.; Wrzeciono, U.","Triterpenoide. X. Über neue isomere Triterpenlactone","Acta Crystallographica Section C","1997","53","2","261","264","10.1107/S0108270196012887","","","1.54178","CuKα","","0.0513","0.0466","","0.1398","0.1356","","","","1.051","1.063","1.063","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005927","10.701","0.001","12.771","0.002","18.751","0.002","90","","90","","90","","2562.6","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9α-hydroxy-28-methoxy-11,28-dioxo-1,2-dinor-10α-18α-olean-12-en-3,10β-olide","","- C29 H42 O6 -","- C29 H42 O6 -","- C116 H168 O24 -","4","1","CF1142","Gzella, A.; Zaprutko, L.; Wrzeciono, U.","Triterpenoide. X. Über neue isomere Triterpenlactone","Acta Crystallographica Section C","1997","53","2","261","264","10.1107/S0108270196012887","","","1.54178","CuKα","","0.0536","0.0411","","0.1222","0.117","","","","1.086","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005928","14.438","0.005","8.697","0.005","11.964","0.007","90","","98.44","0.04","90","","1486","1.3","296","2","23","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)Methyl (1α,1aα,3aα,6aα,6bα)-1a-ethenyl-octahydro- 6a-methoxy-2,2- dimethyl-3,6-dioxacyclobut[cd]indene-1-carboxylate","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","CR1168","Britten, J. F.; Kassam, K.; Warkentin, J.","A Novel Tricyclic Cyclobutanone Ketal","Acta Crystallographica Section C","1997","53","2","243","245","10.1107/S0108270196013224","","","1.5418","CuKα","","0.1895","0.0456","","0.1644","0.1077","","","","1.01","1.189","1.189","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005929","7.138","0.003","10.148","0.004","10.686","0.002","105.81","0.03","104.54","0.02","105.3","0.03","673.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Cu N2 O6 -","- C13 H14 Cu N2 O6 -","- C26 H28 Cu2 N4 O12 -","2","1","DE1039","Suresh, E.; Bhadbhade, M. M.","Metal‒α,ω-Dicarboxylate Complexes. I. Aqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(malonato-<i>O</i>,<i>O</i>')copper(II) Monohydrate","Acta Crystallographica Section C","1997","53","2","193","195","10.1107/S0108270196012395","","","0.7107","MoKα","","0.0411","0.0382","","0.1066","0.1034","","","","1.046","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005930","21.421","0.002","21.421","0.002","15.063","0.002","90","","90","","120","","5985.8","1.1","293","2","293","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","Tris(1-ethyl-3,5-diaza-1-azonia-7-phosphatricyclodecane iodide)gold(I) Iodide Trihydrate","","- C24 H53 Au I4 N9 O3 P3 -","- C24 H57 Au I4 N9 O3 P3 -","- C144 H342 Au6 I24 N54 O18 P18 -","6","0.333333","FG1092","Forward, J. M.; Staples, R. J.; Liu, C. W.; Fackler, Jnr, J. P.","Luminescent Tris(3-ethyl-1,5-diaza-3-azonia-7-phosphatricyclo[3.3.1.1^3,7^]decane-<i>P</i>)gold(I) Tetraiodide Trihydrate, [(EtTPA)~3~Au]I~4~.3H~2~O","Acta Crystallographica Section C","1997","53","2","195","197","10.1107/S0108270196012486","","","0.71073","MoKα","","0.0348","0.0245","","0.0601","0.0565","","","","1.075","1.086","1.086","","","","","has coordinates","188927","2020-10-21","18:00:00",""
"2005931","8.7563","0.0001","9.0187","0.0002","16.9354","0.0004","90","","90","","90","","1337.4","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-O-isopropylidene-3-acetamido-5-O-acetyl-D-ribofuranose","","- C12 H19 N O6 -","- C12 H19 N O6 -","- C48 H76 N4 O24 -","4","1","FG1209","Abboud, K. A.; Parr, I. B.; Horenstein, B. A.","3-Acetamido-5-<i>O</i>-acetyl-1,2-<i>O</i>-isopropylidene-<small>D</small>-ribofuranose","Acta Crystallographica Section C","1997","53","2","245","247","10.1107/S0108270196012498","","","0.71073","MoKα","","0.0354","0.0305","","0.0932","0.0729","","","","1.092","1.084","1.084","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005932","16.903","0.002","12.158","0.002","12.342","0.002","90","","114.96","0.03","90","","2299.5","0.8","295","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Cu2 N2 O4 -","- C28 H22 Cu2 N2 O4 -","- C112 H88 Cu8 N8 O16 -","4","0.5","FR1008","Ülkü, D.; Ercan, F.; Atakol, O.; Ercan, I.; Gencer, A.","Bis{2-[(2-hydroxybenzyl)iminomethyl]phenolato(2 ‒)-<i>O</i>:<i>O</i>,<i>N</i>,<i>O</i>'}dicopper(II)","Acta Crystallographica Section C","1997","53","2","179","181","10.1107/S0108270196012590","","","0.71073","MoKα","","","0.068","","","0.082","","","","","0.94","0.94","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005933","21.334","0.006","6.985","0.002","17.1","0.006","90","","123.45","0.02","90","","2126.1","1.2","295.2","","295.2","","","","","","","","","6","P 1 2/m 1","-P 2y","12","","","","- C17 H19 Co N6 O2 S2 -","- C10.5 H15 Co0.5 N3 O1.5 S -","- C42 H60 Co2 N12 O6 S4 -","4","1","HA1172","Beddoes, R. L.; Dinsmore, A.; Helliwell, M.; Garner, C. D.; Joule, J. A.","A Pteridin-6-yl Alkene-1,2-dithiolate Complex of Cobalt","Acta Crystallographica Section C","1997","53","2","213","215","10.1107/S0108270196013571","","","0.7107","MoKα","","0.1202","0.0657","","0.0826","0.0787","","","","2.702","3.332","3.332","","","","","has coordinates","198535","2020-10-21","18:00:00",""
"2005934","10.3144","0.0012","10.3144","0.0012","13.177","0.002","90","","90","","120","","1214","0.3","296","2","296","2","","","","","","","","4","P 31","P 31","144","","Bis[(S)-(-)-α-Methylbenzyl]thiourea","","- C17 H20 N2 S -","- C17 H20 N2 S -","- C51 H60 N6 S3 -","3","1","HA1175","Bailey, P. J.; Grant, K. J.; Parsons, S.","Bis[(<i>S</i>)-({-})-α-methylbenzyl]thiourea","Acta Crystallographica Section C","1997","53","2","247","248","10.1107/S010827019601298X","","","0.71073","MoKα","","0.0901","0.0456","","0.0788","0.0667","","","","1.018","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005935","8.781","0.001","15.021","0.002","13.452","0.003","90","","102.18","0.02","90","","1734.4","0.5","298","3","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H24 Cl2 Cu N4 O8 -","- C9 H24 Cl2 Cu N4 O12 -","- C36 H96 Cl8 Cu4 N16 O48 -","4","1","HR1023","Lu, T.-H.; Tahirov, T. H.; Shu, K.; Chung, C.-S.","Copper(II) and Nickel(II) Complexes of 4-Methyl-4,7-diazadecane-1,10-diamine","Acta Crystallographica Section C","1997","53","2","204","206","10.1107/S0108270196006129","","","0.71073","MoKα","","","0.036","","","0.047","","","","","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005936","8.732","0.001","14.8","0.002","13.655","0.003","90","","100.14","0.02","90","","1737.1","0.5","298","3","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H24 Cl2 N4 Ni O8 -","- C9 H24 Cl2 N4 Ni O8 -","- C36 H96 Cl8 N16 Ni4 O32 -","4","1","HR1023","Lu, T.-H.; Tahirov, T. H.; Shu, K.; Chung, C.-S.","Copper(II) and Nickel(II) Complexes of 4-Methyl-4,7-diazadecane-1,10-diamine","Acta Crystallographica Section C","1997","53","2","204","206","10.1107/S0108270196006129","","","0.71073","MoKα","","","0.078","","","0.087","","","","","1.24","1.24","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005937","7.047","0.001","23.973","0.005","12.28","0.002","90","","101","0.03","90","","2036.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 Cl3 N5 Pt -","- C15 H28 Cl3 N5 Pt -","- C60 H112 Cl12 N20 Pt4 -","4","1","JZ1120","Karentzopoulos, S.; Engelking, H.; Bremer, B.; Paschke, N.; Krebs, B.","The First Example of a <i>cis</i>-Platinum Analogue with Two Directly Bridged Imidazoles: [Pt(mimim)Cl~2~].Et~4~NCl","Acta Crystallographica Section C","1997","53","2","172","174","10.1107/S0108270196011948","","","0.71073","MoKα","","0.0964","0.0489","","0.105","0.0893","","","","1.018","1.073","1.073","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005938","8.4083","0.0007","9.404","0.0013","15.9899","0.0013","90","","90","","90","","1264.3","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","His-Gly dihydrochloride","L-Histidyl-glycine dihydrochloride","","- C8 H14 Cl2 N4 O3 -","- C8 H14 Cl2 N4 O3 -","- C32 H56 Cl8 N16 O12 -","4","1","JZ1143","Steiner, Th.","<small>L</small>-Histidylglycinium Dichloride","Acta Crystallographica Section C","1997","53","2","255","257","10.1107/S0108270196010682","","","1.54176","CuKα","","0.0333","0.0324","","0.0916","0.091","","","","1.094","1.105","1.105","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005939","9.77","0.001","16.018","0.004","7.575","0.002","90","","90","","90","","1185.5","0.4","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","9,10-dihydro-9-oxo-10-acridineacetic acid","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","JZ1150","Dobrzynska, D.; Turowska-Tyrk, I.","9,10-Dihydro-9-oxo-10-acridineacetic Acid","Acta Crystallographica Section C","1997","53","2","238","239","10.1107/S0108270196012802","","","0.71073","MoKα","","0.055","0.039","","0.115","0.103","","","","1.03","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005940","13.8538","0.0011","12.0498","0.0008","19.08","0.0012","90","","91.068","0.007","90","","3184.6","0.4","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H43 N4 -","- C37 H43 N4 -","- C148 H172 N16 -","4","1","KA1216","Näther, C.; Bock, H.","Tetrakis(<i>p</i>-dimethylaminophenyl)ethylene Hemibenzene Solvate","Acta Crystallographica Section C","1997","53","2","231","234","10.1107/S0108270196012504","","","0.71073","MoKα","","0.0642","0.0427","","0.12","0.1098","","","","1.044","1.115","1.115","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005941","9.77","0.003","8.575","0.005","10.096","0.002","90","","111.68","0.02","90","","786","0.6","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","α,β-trehalose monohydrate","","","- C12 H24 O12 -","- C12 H24 O12 -","- C24 H48 O24 -","2","1","KH1115","Taga, T.; Miwa, Y.; Min, Z.","α,β-Trehalose Monohydrate","Acta Crystallographica Section C","1997","53","2","234","236","10.1107/S0108270196012693","","","0.7107","MoKα","","","0.041","","","0.049","","","","","1","1","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005942","8.641","0.003","13.064","0.002","10.945","0.003","90","","106.861","0.002","90","","1182.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Triphenylphosphonium tetradecahydro-nido-undecaborate(-1)","","- C18 H30 B11 P -","- C18 H30 B11 P -","- C36 H60 B22 P2 -","2","0.5","MU1262","McGrath, T. D.; McGrathand, A. J.","[Ph~3~PH][<i>nido</i>-B~11~H~14~]","Acta Crystallographica Section C","1997","53","2","229","231","10.1107/S0108270196013303","","","0.71073","MoKα","","0.123","0.0594","","0.1653","0.1497","","","","1.028","1.255","1.255","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005943","8.648","0.003","14.383","0.006","15.173","0.006","90","","99.77","0.05","90","","1859.9","1.3","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Fac-tris(6-methyl-2-mercaptopyridinate)cobalt(III)","","- C18 H18 Co N3 S3 -","- C18 H18 Co N3 S3 -","- C72 H72 Co4 N12 S12 -","4","1","MU1291","Fielding, C.; Parsons, S.; Winpenny, R. E. P.","<i>fac</i>-Tris(6-methyl-2-mercaptopyridinato)cobalt(III) at 150K","Acta Crystallographica Section C","1997","53","2","174","176","10.1107/S0108270196013200","","","0.71073","MoKα","","0.0374","0.0288","","0.0729","0.0678","","","","1.055","1.076","1.076","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005944","7.72","0.001","9.764","0.001","10.643","0.002","90","","106.79","0.01","90","","768","0.2","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","(6S)-8-C-Chloro-6,7,8-trideoxy-1,1:3,4-di-O-isopropylidene-α-D-galacto- oct-6,7-dienopyranose","","- C14 H19 Cl O5 -","- C14 H19 Cl O5 -","- C28 H38 Cl2 O10 -","2","1","NA1258","Horton, D.; Liu, Q.; Luck, R. L.; Silverton, J. V.","(6<i>S</i>)-8-<i>C</i>-Chloro-6,7,8-trideoxy-1,2:3,4-di-<i>O</i>-isopropylidene-α-<small>D</small>-<i>galacto</i>-octa-6,7-dienopyranose","Acta Crystallographica Section C","1997","53","2","236","238","10.1107/S0108270196012851","","","1.54184","copperKα","","","0.045","","","0.053","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005945","9.736","0.003","11.021","0.004","11.147","0.006","88.07","0.04","65.79","0.03","66.1","0.04","984.7","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","dimethyl syn-(Z)-2-(4-methylphenyl- methylene)-3-(1,5,5-trimethyl-1,3,4,5- tetrahydro-2H-pyrrolidene)-butanedioate","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C42 H54 N2 O8 -","2","1","NA1259","Zellmer, D.; Niewa, R.; Preut, H.; Kreher, R. P.","A Functionalized Dimethyl 1,3-Butadiene-2,3-dicarboxylate","Acta Crystallographica Section C","1997","53","2","251","253","10.1107/S0108270196011420","","","0.71073","MoKα","","0.0735","0.0446","","0.1355","0.1125","","","","1.051","1.146","1.146","","","","","has coordinates","201955","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",""
"2005947","9.034","0.001","10.228","0.001","12.392","0.002","78.71","0.01","71.05","0.01","69.4","0.01","1009.4","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridinium-3,5-dicarboxylate nitrate","","- C18 H19 N3 O9 -","- C20 H25 N3 O12 -","- C40 H50 N6 O24 -","2","1","PA1238","Rowan, K. R.; Holt, E. M.","3-Ethoxycarbonyl-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridinium Nitrate, Dineopentyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate and Dihexyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1997","53","2","257","261","10.1107/S010827019601181X","","","0.71073","MoKα","","","0.0579","","","0.1494","","","","","0.898","0.898","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005948","17.736","0.003","6.139","0.001","24.756","0.004","90","","108.46","0.01","90","","2556.8","0.7","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dineopentyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","","- C25 H32 N2 O6 -","- C25 H38 N2 O6 -","- C100 H152 N8 O24 -","4","1","PA1238","Rowan, K. R.; Holt, E. M.","3-Ethoxycarbonyl-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridinium Nitrate, Dineopentyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate and Dihexyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1997","53","2","257","261","10.1107/S010827019601181X","","","0.71073","MoKα","","","0.0578","","","0.0654","","","","","1.26","1.26","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005949","8.089","0.002","11.495","0.002","15.707","0.005","69.29","0.02","88.12","0.02","87.03","0.02","1364.1","0.6","298","","298","","","","","","","","","4","P -1","-P 1","2","","dihexyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","","- C27 H36 N2 O6 -","- C27 H35 N3 O8 -","- C54 H70 N6 O16 -","2","1","PA1238","Rowan, K. R.; Holt, E. M.","3-Ethoxycarbonyl-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridinium Nitrate, Dineopentyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate and Dihexyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1997","53","2","257","261","10.1107/S010827019601181X","","","0.71073","MoKα","","","0.0583","","","0.1267","","","","","0.853","0.853","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005950","5.14","0.002","14.784","0.003","11.941","0.002","90","","97.54","0.05","90","","899.5","0.4","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Co N2 O14 -","- C14 H16 Co N2 O14 -","- C28 H32 Co2 N4 O28 -","2","0.5","SK1035","Tahir, M. N.; Ülkü, D.; Movsumov, E. M.; Hökelek, T.","Tetraaquabis(<i>p</i>-nitrosalicylato) Complexes of Zinc(II) and Cobalt(II)","Acta Crystallographica Section C","1997","53","2","176","179","10.1107/S0108270196011572","","","0.71073","MoKα","","","0.027","","","0.038","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005951","5.145","0.003","14.772","0.002","11.936","0.002","90","","97.56","0.04","90","","899.3","0.6","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O14 Zn -","- C14 H16 N2 O14 Zn -","- C28 H32 N4 O28 Zn2 -","2","0.5","SK1035","Tahir, M. N.; Ülkü, D.; Movsumov, E. M.; Hökelek, T.","Tetraaquabis(<i>p</i>-nitrosalicylato) Complexes of Zinc(II) and Cobalt(II)","Acta Crystallographica Section C","1997","53","2","176","179","10.1107/S0108270196011572","","","0.71073","MoKα","","","0.026","","","0.033","","","","","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005952","16.7","0.001","17.781","0.001","19.708","0.001","90","","90","","90","","5852.1","0.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetramethylammonium bis(trifluoroacetato)triphenylstannate","","- C26 H27 F6 N O4 Sn -","- C26 H27 F6 N O4 Sn -","- C208 H216 F48 N8 O32 Sn8 -","8","1","SK1049","Ng, S. W.; Kumar Das, V. G.","The First Example of a Discrete Di(carboxylato)triorganostannate: Tetramethylammonium Triphenylbis(trifluoroacetato)stannate","Acta Crystallographica Section C","1997","53","2","212","213","10.1107/S0108270196012292","","","0.71073","MoKα","","0.0853","0.0509","","0.131","0.1168","","","","0.99","1.139","1.139","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005953","8.35","0.002","12.57","0.002","12.945","0.001","90","","92.21","0.01","90","","1357.7","0.4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","ent-13-acetoxy-2β,3α-dihydroxy-1α-carboxy-10α-phenyl-20-norgibberell-16- ene-7,19-dioic acid 19,2-lactone 1',3-lactone 7-(methyl ester) acetonitrile solvate","","- C31 H33 N O8 -","- C31 H33 N O8 -","- C62 H66 N2 O16 -","2","1","TA1104","Mander, L. N.; Sherburn, M. S.; Willis, A. C.","The Unusual Structure of a C-Arylated Gibberellin Bis-γ-lactone Formed from a Free Radical-Initiated Cyclization","Acta Crystallographica Section C","1997","53","2","223","225","10.1107/S010827019601147X","","","1.5418","CopperKα","","0.053","0.053","","0.073","0.073","","","","2.017","2.017","2.017","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005954","7.163","0.002","37.56","0.01","5.113","0.003","90","","90","","90","","1375.6","1","296.2","","296.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,13-tridecanediol","","","- C13 H28 O2 -","- C13 H28 O2 -","- C52 H112 O8 -","4","1","TA1115","Nakamura, N.; Tanihara, Y.; Takayama, T.","1,13-Tridecanediol","Acta Crystallographica Section C","1997","53","2","253","255","10.1107/S010827019601390X","","","1.5418","CuKα","","0.0755","0.0474","","0.1079","0.0758","","","","1.397","1.102","1.102","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005955","9.828","0.001","19.741","0.002","10.259","0.001","90","","112.573","0.002","90","","1837.9","0.3","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2,4-dimethyl-5,8-diazadeca-4-ene-2,10-diamine)copper(II) tetrachlorozincate(II)","","- C10 H24 Cl4 Cu N4 Zn -","- C10 H24 Cl4 Cu N4 Zn -","- C40 H96 Cl16 Cu4 N16 Zn4 -","4","1","TA1120","Gladkikh, O. P.; Curtis, N. F.; Heath, S. L.","μ-Chloro-1:2κ^2^<i>Cl</i>-trichloro-2κ^3^<i>Cl</i>-(2,4-dimethyl-5,8-diazadec-4-ene-2,10-diamine-1κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')copper(II)zinc(II)","Acta Crystallographica Section C","1997","53","2","197","200","10.1107/S0108270196013108","","","0.71073","MoKα","","0.0347","0.0283","","0.065","0.0597","","","","1.129","1.142","1.142","","","","","has coordinates","176435","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",""
"2005957","9.339","0.002","18.136","0.003","7.615","0.002","90","","90","","90","","1289.8","0.5","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)~589~-Λ-amminebromobis(ethylenediamine-N.N')cobalt(III) dibromide","","- C4 H19 Br3 Co N5 -","- C4 H19 Br3 Co N5 -","- C16 H76 Br12 Co4 N20 -","4","1","TA1130","Nakagawa, H.; Ohba, S.; Asakura, K.; Miura, T.; Tanaka, A.; Osanai, S.","(+)~589~-Λ-Amminebromobis(ethylenediamine-<i>N</i>,<i>N</i>')cobalt(III) Dibromide","Acta Crystallographica Section C","1997","53","2","216","217","10.1107/S0108270196013479","","","0.71073","MoKα","","","0.0448","","","0.0324","","","","","1.48","1.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005958","11.187","0.001","11.284","0.001","11.5771","0.0008","103.991","0.007","99.233","0.009","106.523","0.008","1317.6","0.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","bis(lithium) tetris(tetramethylammonium) decavandadate dodecahydrate","","- C16 H72 Li2 N4 O40 V10 -","- C16 H72 Li2 N4 O40 V10 -","- C16 H72 Li2 N4 O40 V10 -","1","0.5","TA1131","Zavalij, P. Y.; Chirayil, T.; Whittingham, M. S.; Pecharsky, V. K.; Jacobson, R. A.","A New Decavanadate with Mixed Cations, [Li(H~2~O)~4~]~2~[N(CH~3~)~4~]~4~[V~10~O~28~].4H~2~O","Acta Crystallographica Section C","1997","53","2","170","171","10.1107/S0108270196013480","","","0.71073","MoKα","","","0.052","","","0.058","","","","","1.24","1.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005959","7.57","0.003","13.67","0.006","11.56","0.005","90","","102.9","0.04","90","","1166.1","0.9","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Cl6 N2 O6 Pt -","- C12 H32 Cl6 N2 O6 Pt -","- C24 H64 Cl12 N4 O12 Pt2 -","2","0.5","AB1374","Yilmaz, V. T.; İçbudak, H.; Howie, R. A.","Bis[tris(2-hydroxyethyl)ammonium] Hexachloroplatinate(IV)","Acta Crystallographica Section C","1997","53","3","294","296","10.1107/S0108270196011341","","","0.71073","MoKα","","","0.029","","","0.024","","","","","2.02","2.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005960","17.75","0.008","18.382","0.01","20.129","0.01","90","","109.31","","90","","6198","5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","hexacopper(II) bis(hexaphenylsiloxanolate) dimethylformamide solvate","bis(hexa-μ-oxo-cis-2,4,6,8,10,12-hexaphenylsiloxan-2,4,6,8,10,12-olato)- hexa(dimethylformamido-O)hexacopper(II) dimethylformamide solvate,","","- C102 H130 Cu6 N10 O34 Si12 -","- C102 H130 Cu6 N10 O34 Si12 -","- C204 H260 Cu12 N20 O68 Si24 -","2","0.5","AB1396","Lindeman, S. V.; Shchegolikhina, O. I.; Molodtsova, Y. A.; Zhdanov, A. A.","Hexakis(dimethylformamide)bis(hexaphenylcyclohexasiloxanehexaolato)hexacopper(II) Dimethylformamide Solvate","Acta Crystallographica Section C","1997","53","3","305","309","10.1107/S0108270196010761","","","0.71073","MoKα","","0.1454","0.0545","","0.1195","0.0963","","","","1.042","1.175","1.175","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005961","11.7998","0.0012","10.1564","0.0011","19.5352","0.0018","90","","93.41","0.009","90","","2337","0.4","293","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cl2 N2 S2 -","- C26 H18 Cl2 N2 S2 -","- C104 H72 Cl8 N8 S8 -","4","1","AB1401","İde, S.; Öztaş, G.; Ancin, N.; Tüzün, M.","<i>N</i>,<i>N</i>'-Bis(4-chlorobenzylidene)-2,2'-diaminodiphenyl disulfide","Acta Crystallographica Section C","1997","53","3","376","378","10.1107/S0108270196013832","","","0.71073","MoKα","","","0.046","","","0.045","","","","","0.71","0.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005962","8.181","0.003","21.02","0.004","17.402","0.001","90","","90","","90","","2992.5","1.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(1R*,3R*,4S*)-4-Tert-Butyldiphenylsilyloxy-6,7-dimethoxy-1- methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline.","","- C34 H39 N O3 Si -","- C34 H39 N O3 Si -","- C136 H156 N4 O12 Si4 -","4","1","AB1410","Pizarro, J. L.; Arriortua, M. I.; Tellitu, I.; Badía, D.; Domínguez, E.; Ochando, L.; Amigó, J. M.; Debaerdemaeker, T.","(1<i>R</i>*,3<i>R</i>*,4<i>S</i>*)-4-(<i>tert</i>-Butyldiphenylsilyloxy)-6,7-dimethoxy-1-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section C","1997","53","3","355","358","10.1107/S0108270196013376","","","0.71069","MoKα","","0.036","0.0305","","0.0925","0.0829","","","","1.121","1.126","1.126","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005963","10.433","0.004","12.538","0.005","13.27","0.005","84.71","0.03","77.78","0.03","78.42","0.03","1659.7","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Trans-Diiodobis(triphenylarsine)platinum(II): Correlation of structural cis effect","","- C36 H30 As2 I2 Pt -","- C36 H30 As2 I2 Pt -","- C72 H60 As4 I4 Pt2 -","2","1","AB1414","Otto, S.; Roodt, A.","<i>trans</i>-Diiodobis(triphenylarsine-<i>As</i>)platinum(II)","Acta Crystallographica Section C","1997","53","3","280","282","10.1107/S0108270196013844","","","0.71073","MoKα","","0.0397","0.0397","","0.1143","0.1143","","","","1.085","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005964","8.6903","0.0012","10.3999","0.0014","11.9025","0.0013","68.481","0.001","71.813","0.001","64.844","0.001","890.1","0.2","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H27 N O5 -","- C18 H27 N O5 -","- C36 H54 N2 O10 -","2","1","AB1416","Özbey, S.; Tunouǧlu, N.","Diethyl 3-(1-Morpholinyl)-2,8-cyclooctadiene-1,2-dicarboxylate","Acta Crystallographica Section C","1997","53","3","380","381","10.1107/S0108270196013091","","","0.71073","MoKα","","","0.0401","","","0.0419","","","","","1.26","1.26","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005965","7.767","0.001","7.882","0.001","17.431","0.003","90","","100.93","0.02","90","","1047.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-acetylpyridine thiosemicarbazone hydrochloride","","- C8 H11 Cl N4 S -","- C8 H11 Cl N4 S -","- C32 H44 Cl4 N16 S4 -","4","1","AB1422","Abram, S.; Abram, U.","2-[1-(Thiosemicarbazono)ethyl]pyridinium Chloride","Acta Crystallographica Section C","1997","53","3","360","362","10.1107/S0108270196014114","","","0.71073","MoKα","","0.0714","0.0381","","0.1032","0.0892","","","","1.121","1.156","1.156","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005966","14.861","0.003","3.98","0.005","11.926","0.002","90","","93.21","0.02","90","","704.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-amino-6-fluorobenzothiazole","2-Amino-6-fluorobenzothiazole","","- C7 H5 F N2 S -","- C7 H5 F N2 S -","- C28 H20 F4 N8 S4 -","4","1","BK1164","Jai-nhuknan, J.; Karipides, A. G.; Hughes, J. M.; Cantrell, J. S.","2-Amino-6-fluorobenzothiazole","Acta Crystallographica Section C","1997","53","3","381","383","10.1107/S0108270196014369","","","0.71069","MoKα","","0.0414","0.035","","0.111","0.1053","","","","0.93","0.948","0.948","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005967","7.721","0.004","8.695","0.002","11.347","0.009","83.09","0.04","79.79","0.06","81.38","0.02","737.8","0.7","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N O4 S -","- C16 H15 N O4 S -","- C32 H30 N2 O8 S2 -","2","1","BK1261","Kumaradhas, P.; Nirmala, K. A.","(±)-<i>trans</i>-3-Hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-Oxide","Acta Crystallographica Section C","1997","53","3","315","318","10.1107/S0108270196011845","","","1.5418","CuKα","","","0.058","","","0.14","","","","","1.26","1.26","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005968","12.05","0.006","5.612","0.002","23.795","0.004","90","","102.46","0.02","90","","1571.2","1","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C64 H68 N4 O16 S4 -","4","1","BK1267","Kumaradhas, P.; Nirmala, K. A.","(±)-2-[Hydroxy(4-methoxyphenyl)methyl]-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one Hydrate","Acta Crystallographica Section C","1997","53","3","313","315","10.1107/S0108270196011857","","","0.7093","MoKα","","","0.05","","","0.094","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005969","10.788","0.002","13.754","0.004","19.164","0.005","79.13","0.02","81.39","0.02","69.45","0.02","2604","1.2","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H46 I O4 Os2 P3 -","- C66 H40 I O4 Os2 P3 -","- C132 H80 I2 O8 Os4 P6 -","2","1","BK1268","Herlinger, A. W.; Rheingold, A. L.","Tetracarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>-μ-diphenylphosphido-<i>P</i>:<i>P</i>-μ-iodo-bis(triphenylphosphine)-1κ<i>P</i>,2κ<i>P</i>-diosmium(<i>Os</i>—<i>Os</i>) Benzene Solvate","Acta Crystallographica Section C","1997","53","3","285","287","10.1107/S0108270196013911","","","0.71073","MoKα","","","0.029","","","0.032","","","","","1","1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005970","14.0117","0.0011","8.0111","0.0005","21.6959","0.0011","90","","99.123","0.005","90","","2404.5","0.3","296","","296","","","","","","","","","4","P 1 2 1","P 2y","3","","N-methyl-3α,7α,12α-Trihydroxy-5β-cholan-24-amide Quarterhydrate","","- C25 H43.5 N O4.25 -","- C25 H43.5 N O4.25 -","- C100 H174 N4 O17 -","4","2","BK1286","Wahle, M. C.; Byrn, S. R.","Hydrated Structures of <i>N</i>-Methylated Cholamide Derivatives","Acta Crystallographica Section C","1997","53","3","334","339","10.1107/S0108270196013145","","","1.54184","CuKα","","0.07","0.044","","0.135","0.11","","","","1.075","1.011","1.011","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005971","16.8089","0.0009","38.7649","0.001","7.887","0.005","90","","90","","90","","5139","3","297","","297","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N-methyl-3α,7α,12α-Trihydroxy-5β-cholan-24-amide Sesquihydrate","","- C25 H46 N O5.5 -","- C25 H46 N O5.5 -","- C200 H368 N8 O44 -","8","2","BK1286","Wahle, M. C.; Byrn, S. R.","Hydrated Structures of <i>N</i>-Methylated Cholamide Derivatives","Acta Crystallographica Section C","1997","53","3","334","339","10.1107/S0108270196013145","","","1.54184","CuKα","","0.165","0.065","","0.237","0.165","","","","1.2","1.224","1.224","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005972","16.565","0.003","39.504","0.004","7.824","0.008","90","","90","","90","","5120","5","297","","297","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N,N-dimethyl-3α,7α,12α-Trihydroxy-5β-cholan-24-amide Hemihydrate","","- C26 H49 N O5.5 -","- C26 H46 N O4.5 -","- C208 H368 N8 O36 -","8","2","BK1286","Wahle, M. C.; Byrn, S. R.","Hydrated Structures of <i>N</i>-Methylated Cholamide Derivatives","Acta Crystallographica Section C","1997","53","3","334","339","10.1107/S0108270196013145","","","1.54184","CuKα","","0.233","0.07","","0.256","0.163","","","","1.057","1.236","1.236","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005973","7.371","0.0007","11.1271","0.0016","19.191","0.0016","90","","99.725","0.008","90","","1551.4","0.3","287","","287","","","","","","","","","3","P 1 21 1","P 2yb","4","","succinyl oleanolic acid","","- C34 H52 O6 -","- C34 H52 O6 -","- C68 H104 O12 -","2","1","BK1288","Yang, J.; Quail, J. W.; Jia, Z.","Succinyl Oleanolic Acid","Acta Crystallographica Section C","1997","53","3","349","351","10.1107/S0108270196013923","","","0.7093","MolybdenumKα","","0.06","0.047","","0.053","0.05","","","","","1.71","1.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005974","7.908","0.001","7.908","0.001","15.15","0.002","90","","90","","90","","947.4","0.2","296","2","296","2","","","","","","","","3","P 41","P 4w","76","(-)-anti-Isoketopinic acid","(-)-2-oxo-1,7-dimethylbicyclo[2.2.1]heptane-7-anti-carboxylic acid","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","BK1292","Lalancette, R. A.; Coté, M. L.; Thompson, H. W.","Hydrogen-Bonding Pattern of a Bicyclic γ-Keto Acid: ({-})-<i>anti</i>-Isoketopinic Acid","Acta Crystallographica Section C","1997","53","3","370","372","10.1107/S0108270196013959","","","0.71073","MoKα","","0.0718","0.051","","0.122","0.1137","","","","0.94","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005975","7.737","0.001","12.249","0.001","12.247","0.001","90","","94.17","0.01","90","","1157.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","BM1068","Elerman, Y.; Kabak, M.","2-(3-Methoxy-2-hydroxyphenyl)benzimidazole","Acta Crystallographica Section C","1997","53","3","372","374","10.1107/S0108270196013972","","","0.71073","MoKα","","0.079","0.058","","0.152","0.145","","","","1.099","1.198","1.198","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005976","12.151","0.001","9.846","0.001","10.642","0.001","90","","107.14","0.04","90","","1216.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H29 N O10 -","- C23 H29 N O10 -","- C46 H58 N2 O20 -","2","1","BM1091","Jesús Diánez, M.; Estrada, M. D.; López-Castro, A.; Pérez-Garrido, S.","<i>N</i>-Acetyl-2,3,4,6-tetra-<i>O</i>-acetyl-<i>N</i>-benzyl-β-<small>D</small>-glucopyranosylamine","Acta Crystallographica Section C","1997","53","3","378","379","10.1107/S0108270196014230","","","0.7107","MoKα","","0.0646","0.0485","","0.1568","0.1275","","","","1.094","1.035","1.035","","","","","has coordinates,has disorder","201955","2020-10-21","18:00:00",""
"2005977","8.145","0.004","16.375","0.005","17.274","0.004","90","","92.26","0.03","90","","2302.1","1.4","153","","153","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O3 S -","- C11 H11 N O3 S -","- C88 H88 N8 O24 S8 -","8","2","BM1104","Barkley, J. V.; Cristiano, M. L. S.; Johnstone, R. A. W.; Loureiro, R. M. S.","3-(<i>E</i>)-But-2-enoxy-1,2-benzisothiazole 1,1-Dioxide: Unusual C—O—C Ether Bond Lengths and Reactivity","Acta Crystallographica Section C","1997","53","3","383","386","10.1107/S0108270196014151","","","0.71073","MoKα","","","0.0569","","","0.0623","","","","","1.81","1.81","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005978","6.8753","0.001","6.8753","0.001","9.419","0.002","90","","90","","90","","445.23","0.13","293","2","293","2","","","","","","","","3","P 4/n b m :2","-P 4a 2b","125","Caesium-gadolinium-tetratelluride","","","- Cs Gd Te4 -","- Cs Gd Te4 -","- Cs2 Gd2 Te8 -","2","0.125","BR1154","Bensch, W.; Dürichen, P.","Caesium Gadolinium Tetratelluride","Acta Crystallographica Section C","1997","53","3","267","269","10.1107/S0108270196012309","","","0.71073","MoKα","","0.0372","0.0209","","0.0415","0.038","","","","1.007","1.099","1.099","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005979","11.715","0.004","5.8","0.002","24.694","0.009","90","","102.1","0.03","90","","1640.6","1","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Lead - dodecabismuth - pentamolybdenum - oxide","","- Bi12 Mo5 O34 Pb -","- Bi12 Mo5 O34 Pb -","- Bi24 Mo10 O68 Pb2 -","2","0.5","BR1164","Enjalbert, R.; Hasselmann, G.; Galy, J.","A New Mixed Oxide with (Bi~12~O~14~)~<i>n~</i> Columns: PbBi~12~Mo~5~O~34~","Acta Crystallographica Section C","1997","53","3","269","272","10.1107/S0108270196013698","","","0.71069","MoKα","","0.0673","0.0643","","0.1675","0.164","","","","0.904","0.9","0.9","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005980","8.084","0.004","8.389","0.003","10.216","0.003","96.04","0.03","92.73","0.03","115.9","0.04","616.4","0.5","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N4 O3 S -","- C11 H12 N4 O3 S -","- C22 H24 N8 O6 S2 -","2","1","CF1099","Zhang, Q.; Li, S.; Wang, L.; Liu, J.; Huang, X.","2-Amino-5-methyl-10b<i>H</i>-1,3,4-thiadiazolo[3,2-<i>c</i>]quinazolin-6-ium-10b-carboxylate Hydrate","Acta Crystallographica Section C","1997","53","3","325","327","10.1107/S0108270196013935","","","0.71073","MoKα","","","0.038","","","0.05","","","","","1.44","1.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005981","13.991","0.001","5.748","0.001","21.569","0.002","90","","90.619","0.008","90","","1734.5","0.4","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 S -","- C21 H17 N3 S -","- C84 H68 N12 S4 -","4","1","CF1106","Jing, L.; He-Liang, F.; Jie, S.; Wei-Xing, C.","3-Anilino-<i>N</i>-phenyl-1<i>H</i>-indole-2-carbothioamide","Acta Crystallographica Section C","1997","53","3","320","322","10.1107/S0108270196012668","","","0.71069","MoKα","","","0.034","","","0.04","","","","","1.38","1.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005982","19.186","0.0006","6.4523","0.0004","20.9867","0.0006","90","0.2","118.69","0.02","90","0.2","2279.1","0.5","294","","294","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","CF1111","Chatel, F.; Boyer, G.; Galy, J. P.","5-(<i>p</i>-Tolylamino)benzo-1,3-dioxole","Acta Crystallographica Section C","1997","53","3","391","393","10.1107/S010827019601267X","","","0.71073","MoKα","","0.079","0.038","","","0.048","","","","","1.725","1.725","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2005983","9.095","0.003","9.16","0.003","8.189","0.002","101.9","0.02","101.54","0.02","59.34","0.02","570.6","0.3","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C28 H20 N4 O4 -","2","1","CF1120","Kakehi, A.; Kitajima, K.; Ito, S.; Matsubara, K.","A 2<i>H</i>-Pyrano[3,2-<i>a</i>]indolizine Derivative","Acta Crystallographica Section C","1997","53","3","353","355","10.1107/S0108270196012644","","","0.71069","MoKα","","","0.039","","","0.048","","","","","1.84","1.84","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005984","4.683","0.001","10.482","0.002","22.529","0.005","90","","90","","90","","1105.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3-bis(p-fluorophenyl)-triazene","","- C12 H9 F2 N3 -","- C12 H9 F2 N3 -","- C48 H36 F8 N12 -","4","1","CF1138","Anulewicz, R.","1,3-Bis(<i>p</i>-fluorophenyl)triazene","Acta Crystallographica Section C","1997","53","3","345","346","10.1107/S0108270196013881","","","1.54178","CuKα","","0.0667","0.0466","","0.1376","0.1207","","","","1.013","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005985","13.735","0.003","16.082","0.006","14.255","0.004","90","","90","","90","","3148.7","1.6","296","","","","","","","","","","","7","P b c a","-P 2ac 2ab","","","","","- C8 H17 Cl Cu N6 O4 S -","- C7 H17 Cl Cu N7 O8 S -","- C56 H136 Cl8 Cu8 N56 O64 S8 -","8","1","CF1139","Hu, H.-M.; Sun, H.-S.; Chen, X.-H.; Zhao, Q.; Pan, Y.; Huang, X.-Y.; You, X.-Z.","(Diethylenetriamine)(imidazole)(thiocyanato)copper(II) Perchlorate","Acta Crystallographica Section C","1997","53","3","276","278","10.1107/S0108270196013893","","","0.71073","MoKα","","","0.041","","","0.056","","","","","1.77","1.77","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005986","8.995","0.006","9.748","0.007","14.655","0.011","97.39","0.05","99.85","0.05","113.16","0.03","1136.5","1.5","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","4,4'-Dimethylbipyridine-bis(6-chloro-2-pyridonato)zinc hydrate","","- C22 H20 Cl2 N4 O3 Zn -","- C22 H20 Cl2 N4 O3 Zn -","- C44 H40 Cl4 N8 O6 Zn2 -","2","1","CF1147","Mowat, C. G.; Parsons, S.; Solan, G. A.; Winpenny, R. E. P.","Bis(6-chloro-2-pyridonato-<i>N</i>,<i>O</i>)(4,4'-dimethyl-2,2'-bipyridine-<i>N</i>,<i>N</i>')zinc(II) Hydrate at 150 K","Acta Crystallographica Section C","1997","53","3","282","283","10.1107/S0108270196013868","","","0.71073","MoKα","","0.0691","0.0443","","0.1086","0.0962","","","","1.031","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005987","8.557","0.004","9.064","0.002","10.961","0.003","66.83","0.01","75.36","0.03","62.05","0.02","688","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N,N,N',N'-Tetrametylethylendiammonium Cyclotetraphosphate Tetrahydrate","","- C12 H44 N4 O16 P4 -","- C12 H44 N4 O16 P4 -","- C12 H44 N4 O16 P4 -","1","0.5","DU1166","Thabet, H.; Jouini, A.; El Hassane, S.","Bis(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediammonium) Cyclotetraphosphate Tetrahydrate","Acta Crystallographica Section C","1997","53","3","318","320","10.1107/S0108270196012139","","","0.71069","MoKα","","0.0502","0.0413","","0.1165","0.1048","","","","1.189","1.143","1.143","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005988","12.092","0.004","20.54","0.002","7.772","0.002","90","","90","","90","","1930.3","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(exo-mercapto)-2'-thioxo-(1R, 1R')-3-(exo),3'-(exo)-bibornanyl","","- C20 H32 S2 -","- C20 H32 S2 -","- C80 H128 S8 -","4","1","FG1199","Kwiatkowski, W.; Cameron, T. S.; Salama, P.; Poirier, M.","(1<i>R</i>,1<i>R</i>')-2-<i>exo</i>-Mercapto-2'-thioxo-3-<i>exo</i>,3'-<i>exo</i>-bibornane, 2-Dehydro-2,2'-<i>exo</i>-epidithio-3,3'-bibornane and 2-<i>endo</i>,2'-<i>exo</i>-Epidithio-3,3'-bibornanylidene. Potential Antiviral Agents","Acta Crystallographica Section C","1997","53","3","387","391","10.1107/S0108270196012085","","","1.54178","CuKα","","0.0359","0.0314","","0.084","0.0816","","","","1.026","1.035","1.035","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005989","11.353","0.004","22.289","0.002","7.468","0.001","90","","90","","90","","1889.8","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-dehydro-2,2'-(exo)-epidithio-3,3'-bibornane","","- C20 H30 S2 -","- C20 H30 S2 -","- C80 H120 S8 -","4","1","FG1199","Kwiatkowski, W.; Cameron, T. S.; Salama, P.; Poirier, M.","(1<i>R</i>,1<i>R</i>')-2-<i>exo</i>-Mercapto-2'-thioxo-3-<i>exo</i>,3'-<i>exo</i>-bibornane, 2-Dehydro-2,2'-<i>exo</i>-epidithio-3,3'-bibornane and 2-<i>endo</i>,2'-<i>exo</i>-Epidithio-3,3'-bibornanylidene. Potential Antiviral Agents","Acta Crystallographica Section C","1997","53","3","387","391","10.1107/S0108270196012085","","","1.54178","CuKα","","0.0323","0.0297","","0.0787","0.0773","","","","1.055","1.061","1.061","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005990","12.335","0.001","21.044","0.002","7.293","0.002","90","","90","","90","","1893.1","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(endo),2'-(exo)-epidithio-3,3'-bibornanylidene","","- C20 H30 S2 -","- C20 H30 S2 -","- C80 H120 S8 -","4","1","FG1199","Kwiatkowski, W.; Cameron, T. S.; Salama, P.; Poirier, M.","(1<i>R</i>,1<i>R</i>')-2-<i>exo</i>-Mercapto-2'-thioxo-3-<i>exo</i>,3'-<i>exo</i>-bibornane, 2-Dehydro-2,2'-<i>exo</i>-epidithio-3,3'-bibornane and 2-<i>endo</i>,2'-<i>exo</i>-Epidithio-3,3'-bibornanylidene. Potential Antiviral Agents","Acta Crystallographica Section C","1997","53","3","387","391","10.1107/S0108270196012085","","","1.54178","CuKα","","0.1127","0.0536","","0.1494","0.1254","","","","1","1.034","1.034","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005991","10.476","0.001","19.543","0.003","20.69","0.003","74.32","0.07","89.44","0.07","81.22","0.06","4028.3","1.8","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","Chlorobis(dimethylphenylphosphine){bis(thiodiphenylphosphino)amido-S,S'}- nitridorhenium(V)","","- C40 H42 Cl N2 P4 Re S2 -","- C40 H42 Cl N2 P4 Re S2 -","- C160 H168 Cl4 N8 P16 Re4 S8 -","4","2","FR1002","Abram, U.; Schulz Lang, E.; Dilworth, J. R.","[Bis(thiodiphenylphosphino-<i>S</i>)amido]chlorobis(dimethylphenylphosphine-<i>P</i>)nitridorhenium(V)","Acta Crystallographica Section C","1997","53","3","289","292","10.1107/S0108270196013790","","","0.71073","MoKα","","0.0812","0.044","","0.1045","0.0846","","","","1.122","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005992","10.32","0.004","17.062","0.008","21.803","0.001","90","","90.28","0.02","90","","3839","2","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","acetonitrile(η^5^-cyclopentadienyl)bis(triphenylphosphine) ruthenium(II) tetrafluoroborate","","- C43 H38 B F4 N P2 Ru -","- C43 H38 B F4 N P2 Ru -","- C172 H152 B4 F16 N4 P8 Ru4 -","4","1","FR1009","Carreón, O. Y.; Leyva, M. A.; Fernández-G., J. M.; Pénicaud, A.","(Acetonitrile-<i>N</i>)(η^5^-cyclopentadienyl)bis(triphenylphosphine-<i>P</i>)ruthenium(II) Tetrafluoroborate","Acta Crystallographica Section C","1997","53","3","301","302","10.1107/S0108270196013674","","","0.71069","MoKα","","","0.0399","","","0.0489","","","","","1.065","1.065","","","","","has coordinates","207077","2020-10-21","18:00:00",""
"2005993","15.096","0.003","15.381","0.003","13.373","0.003","90","","116.431","0.015","90","","2780.5","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","imidazole-4-acetic acid picric acid","","- C11 H9 N5 O9 -","- C11 H9 N5 O9 -","- C88 H72 N40 O72 -","8","1","FR1010","In, Y.; Nagata, H.; Doi, M.; Ishida, T.; Wakahara, A.","Imidazole-4-acetic Acid‒Picric Acid (1/1) Complex","Acta Crystallographica Section C","1997","53","3","367","369","10.1107/S0108270196012899","","","1.5418","CuKα","","0.0634","0.0447","","0.1761","0.1375","","","","0.986","1.002","1.002","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005994","8.472","0.002","7.107","0.002","6.533","0.002","90","","99.84","0.02","90","","387.57","0.19","299","","296.2","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H11 N O S -","- C3 H8.5 N0.5 O0.5 S0.5 -","- C6 H17 N O S -","2","0.5","FR1014","Honda, K.; Tsuchiya, T.","3-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-2-butenethioamide","Acta Crystallographica Section C","1997","53","3","374","376","10.1107/S0108270196013686","","","0.7107","MoKα","","0","0.053","","0","0.058","","","","0","1.29","1.29","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005995","10.154","0.001","10.923","0.001","16.698","0.002","90","","90","","90","","1852","0.3","295.2","","295.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","HA1168","Rodríguez, A. D.; González, E.; Huang, S. D.","Euniciniatin","Acta Crystallographica Section C","1997","53","3","311","313","10.1107/S010827019601308X","","","0.7107","MoKα","","","0.0585","","","0.0672","","","","","1.584","1.584","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005996","10.952","0.001","19.853","0.002","10.496","0.001","90","","111.45","0.01","90","","2124.1","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Methyl-4-(2-(4-hydroxy-3-methoxy phenyl)vinyl) pyridium 4-tolylsulfonate hydrate","","- C22 H25 N O6 S -","- C22 H25 N O6 S -","- C88 H100 N4 O24 S4 -","4","1","HA1173","Zhang, D.-C.; Zhang, T.-Z.; Zhang, Y.-Q.; Fei, Z.-H.; Yu, K.-B.","4'-Hydroxy-3'-methoxy-<i>N</i>-methyl-4-stilbazolium Tosylate Hydrate, C~15~H~16~NO~2~^+^.C~7~H~7~O~3~S^{-^}.H~2~O","Acta Crystallographica Section C","1997","53","3","364","365","10.1107/S010827019601414X","","","0.71073","MoKα","","0.0673","0.0399","","0.1048","0.0975","","","","0.902","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005997","23.024","0.003","13.343","0.003","23.035","0.003","90","","107","0.03","90","","6767","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 O6 Sr -","- C10 H6 O6 Sr -","- C240 H144 O144 Sr24 -","24","6","JZ1136","Paluchowska, B.; Maurin, J. K.; Leciejewicz, J.","Hetero-Ring Oxygen Coordination to Strontium in Strontium Bis(2-furancarboxylate)","Acta Crystallographica Section C","1997","53","3","287","289","10.1107/S0108270196011018","","","0.71073","MoKα","","0.1599","0.0457","","0.1408","0.1162","","","","0.885","1.5","1.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005998","6.2976","0.0007","10.0596","0.0014","12.8122","0.0011","90","","93.316","0.008","90","","810.31","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaqua-bis(pyridine-2-carboxamide-N',O)copper(II) Dichloride","","- C12 H16 Cl2 Cu N4 O4 -","- C12 H16 Cl2 Cu N4 O4 -","- C24 H32 Cl4 Cu2 N8 O8 -","2","0.5","JZ1151","Sieroń, L.; Bukowska-Strżyzewska, M.","<i>trans</i>-Diaquabis(pyridine-2-carboxamide-<i>N</i>^1^,<i>O</i>)copper(II) Dichloride and Dibromide","Acta Crystallographica Section C","1997","53","3","296","298","10.1107/S0108270196013364","","","0.71073","MoKα","","0.0255","0.0234","","0.0666","0.0655","","","","1.102","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005999","6.3722","0.0006","10.2962","0.0008","13.1279","0.0014","90","","94.4","0.008","90","","858.78","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaqua-bis(pyridine-2-carboxamide-N',O)copper(II) Dibromide","","- C12 H16 Br2 Cu N4 O4 -","- C12 H16 Br2 Cu N4 O4 -","- C24 H32 Br4 Cu2 N8 O8 -","2","0.5","JZ1151","Sieroń, L.; Bukowska-Strżyzewska, M.","<i>trans</i>-Diaquabis(pyridine-2-carboxamide-<i>N</i>^1^,<i>O</i>)copper(II) Dichloride and Dibromide","Acta Crystallographica Section C","1997","53","3","296","298","10.1107/S0108270196013364","","","0.71073","MoKα","","0.0334","0.0286","","0.0767","0.0746","","","","1.097","1.138","1.138","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006000","9.543","0.004","10.176","0.002","11.34","0.003","84.56","0.02","113.62","0.03","114.04","0.02","918.4","0.6","296","","296","","","","","","","","","4","P -1","-P 1","2","","1,4-bis(trimethylindium)-1,4-dibenzylpiperazine","","- C36 H52 In2 N2 -","- C36 H52 In2 N2 -","- C36 H52 In2 N2 -","1","0.5","KH1102","Ma, X.; Pan, Y.; Wu, L.; Huang, X.; Sun, H.; Zhu, C.","[μ-(1,4-Dibenzylpiperazine)-<i>N</i>:<i>N</i>']bis(trimethylindium) Dibenzene Solvate","Acta Crystallographica Section C","1997","53","3","278","279","10.1107/S0108270196013169","","","0.71073","MoKα","","","0.052","","","0.063","","","","","1.94","1.94","","","","","has coordinates","190398","2020-10-21","18:00:00",""
"2006001","10.471","0.003","14.347","0.002","13.29","0.003","90","","111.65","0.02","90","","1855.7","0.8","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cu N3 O5 -","- C20 H17 Cu N3 O5 -","- C80 H68 Cu4 N12 O20 -","4","1","KH1108","Zhang, L.; Xu, D.; Xu, Y.; Gu, J.","(Benzoylacetonato-<i>O</i>,<i>O</i>')(2,2'-bipyridine-<i>N</i>,<i>N</i>')(nitrato-<i>O</i>)copper(II)","Acta Crystallographica Section C","1997","53","3","299","301","10.1107/S0108270196012358","","","0.71073","MoKα","","","0.043","","","0.049","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006002","7.921","0.013","11.786","0.026","14.714","0.01","90","","90","","90","","1374","4","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","1,4 butane diammonium malonate","","- C10 H20 N2 O8 -","- C10 H20 N2 O8 -","- C40 H80 N8 O32 -","4","0.5","KH1123","Babu, A. M.; Weakley, T. J. R.; Murthy, M. R. N.","Extended Conformation of Putrescine Occurring on a Center of Symmetry in its 1:2 Complex with Malonic Acid","Acta Crystallographica Section C","1997","53","3","365","367","10.1107/S010827019601342X","","","0.71073","MoKα","","0.0453","0.0445","","0.1199","0.1185","","","","0.556","0.561","0.561","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006003","10.9126","0.0005","11.5192","0.0006","14.182","0.001","94.715","0.005","97.083","0.005","96.918","0.004","1747.71","0.18","298","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(N,N-dimethyldithiocarbamyl)acetato(quinolinolato)triphenyltin","","- C35 H35 N3 O3 S4 Sn -","- C35 H35 N3 O3 S4 Sn -","- C70 H70 N6 O6 S8 Sn2 -","2","1","KH1133","Ng, S. W.","[Bis(<i>N</i>,<i>N</i>-dimethylthiocarbamoylthio)acetato-<i>O</i>]triphenyl(quinoline <i>N</i>-oxide-<i>O</i>)tin","Acta Crystallographica Section C","1997","53","3","274","276","10.1107/S0108270196013704","","","0.71073","MoKα","","0.06","0.053","","0.154","0.1467","","","","1.031","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006004","10.035","0.004","11.09","0.008","12.325","0.004","65.28","0.09","70.5","0.03","70.37","0.05","1143.2","1.3","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","Tetra-p-chlorophenyltin","","- C24 H16 Cl4 Sn -","- C24 H16 Cl4 Sn -","- C48 H32 Cl8 Sn2 -","2","1","KH1137","Ng, S. W.","Tetra(<i>p</i>-chlorophenyl)tin","Acta Crystallographica Section C","1997","53","3","273","274","10.1107/S0108270196013716","","","0.71073","MoKα","","0.0361","0.0288","","0.0787","0.0708","","","","1.068","1.067","1.067","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006005","10.005","0.003","17.535","0.003","16.509","0.002","90","","90","","90","","2896.3","1.1","293","","293","","","","","","","","","3","P b c a","","","","2,2-dimethyl-2,3-dihydro-1H-2-silacyclopent[l]phenanthrene","","- C18 H18 Si -","- C18 H18 Si -","- C144 H144 Si8 -","8","1","MU1274","Wagner, T.; Marx, H.-W.; Moss, S.","2,2-Dimethyl-2,3-dihydro-1<i>H</i>-2-silacyclopenta[<i>l</i>]phenanthrene","Acta Crystallographica Section C","1997","53","3","344","345","10.1107/S0108270196013315","","","1.54184","CuKα","","","0.04","","","0.059","","","","","2.203","2.203","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006006","6.283","0.001","26.437","0.002","8.1851","0.0009","90","","96.54","0.01","90","","1350.7","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(p-methoxyphenyl)telluride","","- C14 H14 O2 Te -","- C14 H14 O2 Te -","- C56 H56 O8 Te4 -","4","1","MU1290","Farran, J.; Alvarez-Larena, A.; Piniella, J. F.; Capparelli, M. V.; Torres-Castellanos, L.","Bis(<i>p</i>-methoxyphenyl) Telluride","Acta Crystallographica Section C","1997","53","3","342","343","10.1107/S0108270196013194","","","0.71069","MoKα","","0.0359","0.025","","0.0688","0.0659","","","","1.084","1.158","1.158","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006007","9.573","0.004","20.857","0.006","20.467","0.007","90","","95.86","0.03","90","","4065","2","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H66 N2 Ni O8 P2 -","- C36 H66 N2 Ni O8 P2 -","- C144 H264 N8 Ni4 O32 P8 -","4","1","MU1297","Kennedy, A. R.; Sloss, S. W.; Spicer, M. D.","<i>cis</i>-Di(nitrato-<i>O</i>,<i>O</i>')bis(tricyclohexylphosphine oxide-<i>O</i>)nickel(II)","Acta Crystallographica Section C","1997","53","3","292","293","10.1107/S0108270196014229","","","0.71069","MoKα","","0.1309","0.0416","","0.0567","0.0463","","","","","1.452","1.452","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006008","17.812","0.002","8.2826","0.0011","19.064","0.004","90","","99.878","0.014","90","","2770.8","0.8","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","meso-1.11-dimethylcyclotrideca-2.9-diyne-1.11-diol","","- C15 H22 O2 -","- C15 H22 O2 -","- C120 H176 O16 -","8","1","NA1269","Boss, C.; Stoeckli-Evans, H.; Keese, R.","<i>meso</i>-1,11-Dimethylcyclotrideca-2,9-diyne-1,11-diol","Acta Crystallographica Section C","1997","53","3","322","325","10.1107/S0108270196013789","","","0.71073","MoKα","","0.1315","0.0739","","0.1908","0.1482","","","","1.109","1.182","1.182","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006009","17.779","0.002","8.238","0.001","18.881","0.003","90","","99.92","0.01","90","","2724","0.6","193","2","193","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","meso-1.11-dimethylcyclotrideca-2.9-diyne-1.11-diol","","- C15 H22 O2 -","- C15 H22 O2 -","- C120 H176 O16 -","8","1","NA1269","Boss, C.; Stoeckli-Evans, H.; Keese, R.","<i>meso</i>-1,11-Dimethylcyclotrideca-2,9-diyne-1,11-diol","Acta Crystallographica Section C","1997","53","3","322","325","10.1107/S0108270196013789","","","0.71073","MoKα","","0.127","0.0723","","0.1997","0.1467","","","","1.159","1.128","1.128","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006010","8.1524","0.0008","9.3328","0.0004","11.4597","0.0006","66.924","0.004","78.185","0.006","83.396","0.005","784.56","0.1","293","","","","","","","","","","","5","P -1","-P 1","2","","N-bezenesulfonyl-3-methylbenz[f]indole","","- C19 H15 N O2 S -","- C19 H15 N O2 S -","- C38 H30 N2 O4 S2 -","2","1","NA1271","Yokum, T. S.; Fronczek, F. R.","<i>N</i>-Phenylsulfonyl-3-methylbenz[<i>f</i>]indole","Acta Crystallographica Section C","1997","53","3","362","363","10.1107/S0108270196014187","","","1.54184","CuKα","","","0.037","","","0.056","","","","","1.572","1.572","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2006011","9.269","0.002","6.459","0.002","13.989","0.002","90","","106.43","0.02","90","","803.3","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3α,4α-epoxy-5α-androstan-17-one","","- C19 H28 O2 -","- C19 H28 O2 -","- C38 H56 O4 -","2","1","NA1273","Paixão, J. A.; Ramos Silva, M.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3α,4α-Epoxy-5α-androstan-17-one","Acta Crystallographica Section C","1997","53","3","347","349","10.1107/S0108270196014394","","","0.7093","MoKα","","0.0576","0.0348","","0.1036","0.0891","","","","1.004","1","1","","","","","has coordinates","201955","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",""
"2006013","8.137","0.002","12.363","0.002","10.537","0.002","90","0.02","98.77","0.02","90","0.02","1047.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 Cl O6 Si -","- C20 H23 Cl O6 Si -","- C40 H46 Cl2 O12 Si2 -","2","1","OA1012","White, J. M.; Riches, A. G.; Cameron, D. W.; Griffiths, P. G.","(1α,4aβ,9aβ)-4a-Acetoxy-9a-chloro-1-methoxy-3-trimethylsiloxy-1,4,4a,9,9a,10-hexahydroanthracene-9,10-dione","Acta Crystallographica Section C","1997","53","3","386","387","10.1107/S0108270196013595","","","1.5418","CuKα(Nifiltered)","","0.0438","0.0397","","0.1046","0.0977","","","","1.235","1.196","1.196","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006014","11.813","0.002","6.41","0.002","30.552","0.004","90","","91.58","0.01","90","","2312.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Substituted βeta\-lactam","N-(1'-thiophenyl)benzyl-3-phenyl-4-phenoxy-azetidine-2-one","","- C28 H23 N O2 S -","- C28 H23 N O2 S -","- C112 H92 N4 O8 S4 -","4","1","PA1239","Srirajan, V.; Bhawal, B. M.; Puranik, V. G.","Novel Protective Group in β-Lactam Chemistry: 3-Phenoxy-4-phenyl-<i>N</i>-[α-(phenylthio)benzyl]azetidin-2-one","Acta Crystallographica Section C","1997","53","3","358","360","10.1107/S0108270196011973","","","0.7093","MoKα","","0.0971","0.0677","","0.2597","0.1983","","","","1.127","1.039","1.039","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006015","11.049","0.006","17.638","0.003","15.894","0.002","90","","91.12","0.02","90","","3096.9","1.8","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H15 O10 Os3 P -","- C29 H15 O10 Os3 P -","- C116 H60 O40 Os12 P4 -","4","1","SK1030","Capparelli, M. V.; De Sanctis, Y.; Arce, A. J.; Spodine, E.","Nonacarbonyl[μ~3~-(1,2-diphenylethyl)phenylphosphinito]triosmium(2 <i>Os</i>—<i>Os</i>)","Acta Crystallographica Section C","1997","53","3","302","305","10.1107/S0108270196008219","","","0.71069","MoKα","","","0.0454","","","0.0552","","","","","3.2","3.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006016","20.7727","0.0002","20.7727","0.0002","36.6751","0.0001","90","","90","","90","","15825.5","0.2","150","","150","","","","","","","","","3","I 41/a :2","-I 4ad","88","","[Bis-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)]-phenyl-methane","","- C23 H28 O4 -","- C23 H28 O4 -","- C736 H896 O128 -","32","2","SK1062","Bolte, M.; Degen, A.; Rühl, S.","Twinned Crystal Structure of Bis(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)phenylmethane at 150K","Acta Crystallographica Section C","1997","53","3","340","342","10.1107/S0108270196013078","","","0.71073","MoKα","","0.0441","0.0392","","0.0855","0.0825","","","","1.18","1.178","1.178","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006017","15.279","0.004","9.812","0.003","18.178","0.004","90","","111.96","0.02","90","","2527.5","1.2","297","","24","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 N4 O5 S -","- C24 H34 N4 O5 S -","- C96 H136 N16 O20 S4 -","4","1","TA1073","Iwata, M.; Nagase, H.; Endo, T.; Ueda, H.","Glimepiride","Acta Crystallographica Section C","1997","53","3","329","331","10.1107/S0108270196002363","","","1.5418","CuKα","","","0.046","","","0.077","","","","","2.43","2.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006018","5.352","0.002","15.186","0.002","12.013","0.001","90","","95.87","0.02","90","","971.2","0.4","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-carbamoylmethyl-pyridinium perchlorate","","- C7 H9 Cl N2 O5 -","- C7 H9 Cl N2 O5 -","- C28 H36 Cl4 N8 O20 -","4","1","TA1092","Sakai, K.; Ikuta, Y.; Shiomi, M.; Tamane, T.; Tomita, Y.; Tsubomura, T.; Nemoto, N.","<i>N</i>-(Carbamoylmethyl)pyridinium Perchlorate and <i>N</i>-(Carbamoylmethyl)-<i>N</i>'-methyl-4,4'-bipyridinium Diperchlorate Hydrate","Acta Crystallographica Section C","1997","53","3","331","334","10.1107/S010827019601311X","","","1.54178","CuKα","","","0.0559","","","0.0766","","","","","2.9","2.9","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006019","11.528","0.003","8.643","0.003","19.141","0.002","90","","106.56","0.01","90","","1828","0.8","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-carbamoylmethyl-N'-methyl-4,4'-bipyridinium bis(perchlorate) hydrate","","- C13 H17 Cl2 N3 O10 -","- C13 H17 Cl2 N3 O10 -","- C52 H68 Cl8 N12 O40 -","4","1","TA1092","Sakai, K.; Ikuta, Y.; Shiomi, M.; Tamane, T.; Tomita, Y.; Tsubomura, T.; Nemoto, N.","<i>N</i>-(Carbamoylmethyl)pyridinium Perchlorate and <i>N</i>-(Carbamoylmethyl)-<i>N</i>'-methyl-4,4'-bipyridinium Diperchlorate Hydrate","Acta Crystallographica Section C","1997","53","3","331","334","10.1107/S010827019601311X","","","1.54178","CuKα","","","0.0569","","","0.0624","","","","","2.89","2.89","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2006020","9.447","0.001","10.037","0.002","17.04","0.002","90","","100.21","0.01","90","","1590.1","0.4","296.2","","296.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H42 O6 -","- C37 H42 O6 -","- C74 H84 O12 -","2","1","TA1108","Nishikawa, K.; Matsumoto, A.; Tsukada, H.; Shiro, M.; Toda, F.","Inclusion Complex of (<i>S</i>)-1,3-Butanediol with (<i>S</i>,<i>S</i>)-(+)-<i>trans</i>-2,3-Bis(hydroxydiphenylmethyl)-1,4-dioxaspiro[4.4]nonane","Acta Crystallographica Section C","1997","53","3","351","353","10.1107/S0108270196014175","","","1.5418","CuKα","","","0.0432","","","0.0553","","","","","1.26","1.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006021","13.081","0.002","13.473","0.002","17.148","0.003","90","","93.73","0.01","90","","3015.8","0.8","295.2","","295.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 Cl4 N4 O5 S2 -","- C30 H18 Cl4 N4 O5 S2 -","- C120 H72 Cl16 N16 O20 S8 -","4","1","TA1116","Cox, O.; Cordero, M.; Piñeiro, S.; Huang, S. D.","Bis[(<i>E</i>)-2-(2,4-dichloro-5-nitrostyryl)-1,3-benzothiazole] Hydrate","Acta Crystallographica Section C","1997","53","3","310","311","10.1107/S0108270196013352","","","0.7107","MoKα","","","0.0706","","","0.0936","","","","","2.161","2.161","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006022","9.977","0.004","5.757","0.004","16.047","0.003","90","","96.26","0.02","90","","916.2","0.8","296","1","296","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H26 N2 O5 -","- C17 H26 N2 O5 -","- C34 H52 N4 O10 -","2","1","TA1117","Burkett, B. A.; Chai, C. L. L.; Hockless, D. C. R.","1-Acetyl-4-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-3-menthyloxycarbonyl]piperazine-2,5-dione","Acta Crystallographica Section C","1997","53","3","327","329","10.1107/S0108270196013753","","","1.5418","CuKα","","0.0983","0.0983","","0.0448","0.0448","","","","1.989","1.989","1.989","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006023","13.683","0.003","5.317","0.001","13.717","0.003","90","","119.67","0.03","90","","867.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","sodium manganese fluoride phosphate","","- F Mn Na2 O4 P -","- F Mn Na2 O4 P -","- F8 Mn8 Na16 O32 P8 -","8","2","AB1400","Yakubovich, O. V.; Karimova, O. V.; Mel'nikov, O. K.","The Mixed Anionic Framework in the Structure of Na~2~{MnF[PO~4~]}","Acta Crystallographica Section C","1997","53","4","395","397","10.1107/S0108270196014102","","","0.71069","MoKα","","0.037","0.0367","","0.0974","0.0972","","","","1.292","1.293","1.293","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006024","23.986","0.003","14.076","0.002","10.493","0.002","90","","90","","90","","3542.7","1","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C160 H200 N24 O16 -","8","1","AB1419","Tahir, M. N.; Ülkü, D.; Demir, A. S.; Mohammadi, M.; Özgül, E.","13-Phenyl-11,13,15-triazatricyclo[8.5.2.0^11,15^]heptadec-16-ene-12,14-dione","Acta Crystallographica Section C","1997","53","4","496","498","10.1107/S0108270196015284","","","0.71069","MoKα","","","0.052","","","0.056","","","","","0.86","0.86","","","","","has coordinates","176759","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",""
"2006026","10.3121","0.0012","13.9765","0.0012","14.973","0.002","101.622","0.008","104.206","0.01","99.248","0.008","1998.3","0.4","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","11,17-Di-tert-butyl-25,26,27,28-tetrahydroxy-2,5,23-trimethyl-14-(4-nitro- phenyl)calix[4]arene Hemichloroform Solvate","","- C45.5 H49.5 Cl1.5 N O6 -","- C45.5 H49.5 Cl1.5 N O6 -","- C91 H99 Cl3 N2 O12 -","2","1","AB1430","Böhmer, V.; Ferguson, G.; Grüttner, C.; Vogt, W.","Intra- and Intermolecular Hydrogen Bonding in a Tetrahydroxycalix[4]arene","Acta Crystallographica Section C","1997","53","4","469","472","10.1107/S0108270196015508","","","0.7107","MolybdenumKα","","0.2328","0.0536","","0.1803","0.1323","","","","0.847","1.256","1.256","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006027","6.641","0.001","10.005","0.002","10.114","0.003","84.42","0.02","73.52","0.01","78.45","0.01","630.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl3 Mn N2 O -","- C10 H10 Cl3 Mn N2 O -","- C20 H20 Cl6 Mn2 N4 O2 -","2","1","AV1000","Tesouro, A.; Corbella, M.; Stoeckli-Evans, H.","Aqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')trichloromanganese(III)","Acta Crystallographica Section C","1997","53","4","430","432","10.1107/S0108270196014333","","","0.71073","MoKα","","0.1022","0.0691","","0.2508","0.192","","","","1.027","1.145","1.145","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006028","11.799","0.002","25.195","0.004","9.009","0.002","90","0.01","90","0.02","90","0.01","2678.2","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N,N'-bispentafluorophenylurea","N,N'-bispentafluorophenylurea","","- C13 H2 F10 N2 O -","- C13 H2 F10 N2 O -","- C104 H16 F80 N16 O8 -","8","1","BK1165","Jai-nhuknan, J.; Karipides, A. G.; Hughes, J. M.; Cantrell, J. S.","<i>N</i>,<i>N</i>'-Bis(pentafluorophenyl)urea","Acta Crystallographica Section C","1997","53","4","455","457","10.1107/S010827019601428X","","","0.71069","MoKα","","0.087","0.049","","0.107","0.0951","","","","1.021","1.149","1.149","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006029","7.279","0.001","8.455","0.002","11.408","0.002","67.73","0.01","85.15","0.01","84.51","0.02","645.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","adeninium-2-fluorobenzoatemonohydrate","2-aminopurinium-2-fluorobenzoatemonohydrate","","- C12 H12 F N5 O3 -","- C12 H12 F N5 O3 -","- C24 H24 F2 N10 O6 -","2","1","BK1179","Jai-nhuknan, J.; Karipides, A. G.; Cantrell, J. S.","1-Adeninium 2-Fluorobenzoate Monohydrate","Acta Crystallographica Section C","1997","53","4","454","455","10.1107/S0108270196014825","","","0.71069","MoKα","","0.0554","0.045","","0.124","0.1161","","","","1.05","1.089","1.089","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006030","9.639","0.002","16.346","0.002","24.1086","0.0014","90","","90.563","0.009","90","","3798.3","0.9","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H28 B8 Cl Ir P2 -","- C8 H18 B8 Cl Ir P2 -","- C64 H144 B64 Cl8 Ir8 P16 -","8","2","BK1240","Bould, J.; Rath, N. P.; Barton, L.","The <i>isonido</i>-Metalladicarbaborane [1,1,1-H{P(CH~3~)~3~}~2~-6-Cl-1,2,4-IrC~2~B~8~H~9~]","Acta Crystallographica Section C","1997","53","4","416","419","10.1107/S0108270196014199","","","0.71073","MoKα","","0.1329","0.062","","0.137","0.1102","","","","1.024","1.112","1.112","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006031","9.3531","0.0001","11.264","0.0002","14.1166","0.0002","96.705","0.001","93.814","0.001","111.296","0.001","1366.63","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H38 Cl N3 Si2 W -","- C23 H38 Cl N3 Si2 W -","- C46 H76 Cl2 N6 Si4 W2 -","2","1","BK1269","Wang, S.-Y. S.; Boncella, J. M.; Abboud, K. A.","A Chelate-Stabilized Tungsten‒Imido‒Monoalkyl Complex, [WCl(PhN)(CH~2~CMe~3~){<i>o</i>-C~6~H~4~(NSiMe~3~)~2~}]","Acta Crystallographica Section C","1997","53","4","436","438","10.1107/S0108270196014370","","","0.71073","MoKα","","0.0376","0.034","","0.091","0.085","","","","1.08","1.068","1.068","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006032","12.0128","0.001","12.0128","0.001","35.16","0.003","90","","90","","120","","4394.1","0.6","163","2","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Tetraethylammonium Bromide","EthanaminiumN,N,N-triethyl Bromide","","- C8 H20 Br N -","- C8 H20 Br N -","- C144 H360 Br18 N18 -","18","0.5","BK1293","Ralle, M.; Bryan, J. C.; Habenschuss, A.; Wunderlich, B.","Low-Temperature Phase of Tetraethylammonium Bromide","Acta Crystallographica Section C","1997","53","4","488","490","10.1107/S0108270196015399","","","0.71073","MoKα","","0.054","0.026","","0.071","0.061","","","","1.06","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006033","12.995","0.001","12.995","","7.143","0.001","90","","90","","90","","1206.24","0.19","170","","170","","","","","","","","","5","I -4","I -4","82","","","","- C24 H21 P S4 W -","- C24 H24 P S4 W -","- C48 H48 P2 S8 W2 -","2","0.25","BK1296","Parvez, M.; Boorman, P. M.; Wang, M.","Tetraphenylphosphonium (Hydrogensulfido-<i>S</i>)trisulfidotungstate(VI)","Acta Crystallographica Section C","1997","53","4","413","414","10.1107/S0108270196015405","","","0.71069","MoKα","","","0.024","","","0.023","","","","","1.4","1.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006034","14.0082","0.0008","10.803","0.001","14.581","0.001","90","","116.625","0.008","90","","1972.6","0.3","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[1-methyl-3-(2-propenyl)-2(3H)-imidazolethione]dichlorozinc(II)","","- C14 H20 Cl2 N4 S2 Zn -","- C14 H20 Cl2 N4 S2 Zn -","- C56 H80 Cl8 N16 S8 Zn4 -","4","1","BK1301","Williams, D. J.; Ly, T. A.; Mudge, J. W.; Pennington, W. T.; Schimek, G. L.","Dichlorobis[1-methyl-3-(prop-2-enyl)imidazole-2(3<i>H</i>)-thione-<i>S</i>]zinc(II)","Acta Crystallographica Section C","1997","53","4","415","416","10.1107/S0108270196013984","","","0.71073","MoKα","","0.0626","0.043","","0.0431","0.044","","","","","1.85","1.85","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006035","10.3344","0.0007","10.8162","0.0007","11.362","0.0007","90","","108.73","0.006","90","","1202.77","0.14","296","","296","","","","","","","","","4","P 1 21 1","","","","3α,7α,12α-Trihydroxy-5β-cholan-24-amide Dihydrate","","- C24 H45 N O6 -","- C24 H45 N O6 -","- C48 H90 N2 O12 -","2","1","BK1304","Wahle, M. C.; Fanwick, P. E.; Byrn, S. R.","Cholamide Dihydrate","Acta Crystallographica Section C","1997","53","4","480","482","10.1107/S0108270196014382","","","1.54184","CuKα","","0.054","0.042","","0.13","0.114","","","","1.062","1.02","1.02","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006036","20.52","0.004","10.835","0.002","12.333","0.002","90","","123.73","0.03","90","","2280.5","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorobis(4-methylpiperidine)(4-methylpyridine)nickel(II)","","- C18 H33 Cl2 N3 Ni -","- C18 H33 Cl2 N3 Ni -","- C72 H132 Cl8 N12 Ni4 -","4","0.5","BM1072","Koman, M.; Jóna, E.; Kopál, I.","Structural Investigation of Ni^II^ Complexes. XI. Dichlorobis(4-methylpiperidine-<i>N</i>)(4-methylpyridine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1997","53","4","443","445","10.1107/S010827019601284X","","","0.71073","MoKα","","0.0389","0.0373","","0.1022","0.0916","","","","1.106","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006037","8.814","0.006","9.992","0.009","19.774","0.018","90","","91.6","0.07","90","","1741","3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","meso-1,1'-diphenyl-2,2,2',2'-tetrachlorobicyclopropyl","","- C18 H14 Cl4 -","- C18 H14 Cl4 -","- C72 H56 Cl16 -","4","1","BM1102","Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.","<i>meso</i>-2,2,2',2'-Tetrachloro-1,1'-diphenyl-1,1'-bicyclopropyl and <i>meso</i>-2,2,2',2'-Tetrabromo-1,1'-diphenyl-1,1'-bicyclopropyl","Acta Crystallographica Section C","1997","53","4","499","504","10.1107/S0108270196015090","","","0.71073","MoKα","","0.0635","0.0489","","0.0711","0.0653","","","","1.09","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006038","14.119","0.005","11.617","0.004","41.81","0.03","90","","90","","90","","6858","6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Meso-1,1'-diphenyl-2,2,2',2'-tetrachlorobicyclopropyl","","- C18 H14 Cl4 -","- C18 H14 Cl4 -","- C288 H224 Cl64 -","16","2","BM1102","Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.","<i>meso</i>-2,2,2',2'-Tetrachloro-1,1'-diphenyl-1,1'-bicyclopropyl and <i>meso</i>-2,2,2',2'-Tetrabromo-1,1'-diphenyl-1,1'-bicyclopropyl","Acta Crystallographica Section C","1997","53","4","499","504","10.1107/S0108270196015090","","","0.71073","MoKα","","0.0849","0.0464","","0.0421","0.0361","","","","1.06","1.65","1.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006039","8.432","0.002","9.586","0.002","11.187","0.002","87.19","0.02","85.51","0.02","78.87","0.02","884","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Meso-1,1'-diphenyl-2,2,2',2'-tetrabromobicyclopropyl","","- C18 H14 Br4 -","- C18 H14 Br4 -","- C36 H28 Br8 -","2","1","BM1102","Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.","<i>meso</i>-2,2,2',2'-Tetrachloro-1,1'-diphenyl-1,1'-bicyclopropyl and <i>meso</i>-2,2,2',2'-Tetrabromo-1,1'-diphenyl-1,1'-bicyclopropyl","Acta Crystallographica Section C","1997","53","4","499","504","10.1107/S0108270196015090","","","0.71073","MoKα","","0.0581","0.0421","","0.0645","0.0547","","","","0.92","0.77","0.77","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006040","7.4918","0.0007","11.3118","0.0013","24.245","0.003","90","","90","","90","","2054.7","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3aS,6R,7R,7aR)-Menthyl 1,6,7,7a-tetrahydro-3,3-dimethyl-1-oxo-3a,6- epoxyisobenzofuran-7-carboxylate","","- C21 H30 O5 -","- C21 H30 O5 -","- C84 H120 O20 -","4","1","BM1116","Breu, J.; Butz, T.; Range, K.-J.; Sauer, J.","Configurations of Cycloadducts Formed in Asymmetric Intramolecular Diels‒Alder Reactions","Acta Crystallographica Section C","1997","53","4","515","517","10.1107/S010827019601579X","","","0.71069","MoKα","","0.0504","0.0367","","0.0875","0.0821","","","","1.016","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006041","7.73","0.001","9.4267","0.001","9.9854","0.001","79.235","0.008","88.902","0.01","75.125","0.009","690.54","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(3S,3aS,6R,7R,7aR)-Menthyl-1,6,7,7a-tetrahydro-3-(1,1-dimethylethyl)-1-oxo- 3H-3a,6-epoxyisobenzofuran-7-carboxylate","","- C14 H18 O5 -","- C14 H18 O5 -","- C28 H36 O10 -","2","1","BM1116","Breu, J.; Butz, T.; Range, K.-J.; Sauer, J.","Configurations of Cycloadducts Formed in Asymmetric Intramolecular Diels‒Alder Reactions","Acta Crystallographica Section C","1997","53","4","515","517","10.1107/S010827019601579X","","","0.71069","MoKα","","0.0478","0.0402","","0.1175","0.113","","","","1.055","1.123","1.123","","","","","has coordinates","176435","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",""
"2006043","12.533","0.003","7.262","0.001","11.259","0.003","90","","111.3","0.02","90","","954.7","0.4","293","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ge O3 Sr -","- Ge O3 Sr -","- Ge12 O36 Sr12 -","12","1.5","BR1159","Nishi, F.","Strontium Metagermanate, SrGeO~3~","Acta Crystallographica Section C","1997","53","4","399","401","10.1107/S0108270196013960","","","0.71073","MoKα","","","0.048","","","0.033","","","","","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006044","7.238","0.001","22.149","0.003","11.244","0.001","90","","90","","90","","1802.6","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","trans-bisaquabis(1,1,1,5,5,5-hexafluoroacetylacetonato)manganese(II) monohydrate","","- C10 H8 F12 Mn O7 -","- C10 H8 F12 Mn O7 -","- C40 H32 F48 Mn4 O28 -","4","0.5","BS1010","Dickman, M. H.","<i>trans</i>-Diaquabis(hexafluoroacetylacetonato-<i>O</i>,<i>O</i>')manganese(II) Monohydrate","Acta Crystallographica Section C","1997","53","4","402","404","10.1107/S010827019601459X","","","0.71073","MoKα","","0.0707","0.0455","","0.1165","0.104","","","","1.075","1.141","1.141","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006045","12.815","0.009","14.798","0.012","15.584","0.014","82.648","0.01","77.869","0.01","67.661","0.01","2669","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5,11,17,23-Tetra-tert-butyl-25,27-bis((diethylthiocarbamoyl)- methoxy)-26,28-dihydroxycalix[4]arene","","- C56 H78 N2 O4 S2 -","- C56 H76 N2 O4 S2 -","- C112 H152 N4 O8 S4 -","2","1","CF1144","Drew, M. G. B.; Beer, P. D.; Ogden, M. I.","A Calix[4]arene with Diethylthiocarbamoylmethyloxy Substituents in the 1,3 Positions","Acta Crystallographica Section C","1997","53","4","472","474","10.1107/S0108270196015521","","","0.71073","MoKα","","0.1193","0.0831","","0.2928","0.244","","","","0.615","0.602","0.602","","","","","has coordinates,has disorder","201201","2020-10-21","18:00:00",""
"2006046","10.613","0.002","15.402","0.003","12.928","0.004","90","","93.35","0.03","90","","2109.6","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Cu N4 O8 -","- C18 H26 Cu N4 O8 -","- C72 H104 Cu4 N16 O32 -","4","0.5","DE1043","Suresh, E.; Bhadbhade, M. M.","Metal‒α,ω-Dicarboxylate Complexes. II. <i>catena</i>-Poly[bis(imidazole-<i>N</i>^3^)copper(II)-di-μ-adipato(1 ‒)-<i>O</i>^1^:<i>O</i>^6^;<i>O</i>^6^:<i>O</i>^1^]","Acta Crystallographica Section C","1997","53","4","422","425","10.1107/S0108270196014138","","","0.7107","MoKα","","0.0354","0.0291","","0.0768","0.0747","","","","1.081","1.136","1.136","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006047","13.613","0.001","21.448","0.003","9.1157","0.0008","90","","103.561","0.007","90","","2587.3","0.5","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[2,4-(3H,10H)-dioxo-10-(4-tert-butylphenyl)pyrimido[4,5-b]quinolin-3-yl]- benzoic acid","","- C29 H27 N3 O5 -","- C29 H27 N3 O5 -","- C116 H108 N12 O20 -","4","1","DE1045","Kawai, Y.; Kunitomo, J.; Ohno, A.","A Novel Function of an Atropisomeric Flavin Model as a Host Compound","Acta Crystallographica Section C","1997","53","4","513","515","10.1107/S0108270197000255","","","1.5418","CuKα","","0.0516","0.0414","","0.0817","0.0682","","","","1.389","1.786","1.786","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006048","10.825","0.003","10.825","0.003","10.184","0.006","90","","90","","90","","1193.4","0.8","293","2","293","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","Cerium Sodium Diarsenate","","- As4 Ce Na4 O14 -","- As4 Ce Na4 O14 -","- As16 Ce4 Na16 O56 -","4","0.25","DU1161","Belam, W.; Boughzala, H.; Jouini, T.","Na~4~Ce(As~2~O~7~)~2~","Acta Crystallographica Section C","1997","53","4","397","399","10.1107/S0108270196007226","","","0.71069","MoKα","","0.0398","0.0262","","0.0579","0.0548","","","","1.277","1.362","1.362","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006049","8.61","0.003","16.01","0.005","12.878","0.003","90","","104.45","0.01","90","","1719","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(propan-1,3-diammonium) diphosphate tetrahydrate","","- C6 H32 N4 O11 P2 -","- C6 H32 N4 O11 P2 -","- C24 H128 N16 O44 P8 -","4","0.5","DU1165","Charfi, M.; Jouini, A.","Bis(propane-1,3-diammonium) Diphosphate Tetrahydrate","Acta Crystallographica Section C","1997","53","4","463","465","10.1107/S0108270196012127","","","1.5418","CuKα","","0.0424","0.0424","","0.1113","0.1113","","","","1.189","1.189","1.189","","","","","has coordinates","176759","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",""
"2006051","10.154","0.002","8.968","0.002","6.749","0.002","90","","104","0.2","90","","596.3","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","pGlu-Pro-NH~2~","(author's name) cis-3-(2-pyrrolidone-5(S)-carbonyl)-L-prolinamide","","- C10 H17 N3 O4 -","- C10 H17 N3 O4 -","- C20 H34 N6 O8 -","2","1","DU1169","Wouters, J.; Norberg, B.; Evrard, G.","The Dipeptide pGlu‒Pro-NH~2~","Acta Crystallographica Section C","1997","53","4","477","480","10.1107/S0108270196014655","","","1.54178","CuKα","","0.0266","0.0256","","0.0764","0.0749","","","","1.084","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006052","13.576","0.004","17.947","0.003","12.262","0.003","105.11","0.02","114.19","0.02","83.55","0.02","2631","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[(μ-Acetato)(μ-oxo)(bis(tris-(2-pyridylmethyl)amine)diiron(III)](triflate) dihydrate","","- C41 H43 F9 Fe2 N8 O14 S3 -","- C40 H39 F6 Fe2 N8 O9 S2 -","- C80 H78 F12 Fe4 N16 O18 S4 -","2","1","FG1185","Norman, R. E.; Peterson, N. L.; Chang, S.-C.","μ-Acetato-<i>O</i>:<i>O</i>'-μ-oxo-bis{[tris(2-pyridylmethyl)amine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']iron(III)} Tris(trifluoromethanesulfonate) Dihydrate","Acta Crystallographica Section C","1997","53","4","452","453","10.1107/S0108270196015016","","","0.71069","MoKα","","0.1098","0.0545","","0.1653","0.1445","","","","1.048","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006053","8.814","0.002","9.742","0.002","16.516","0.003","90","","99.65","0.03","90","","1398.1","0.5","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tran-Bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-N^1^, N')copper(II) tetrafluoroborate","","- C24 H20 B2 Cu F8 N12 -","- C24 H20 B2 Cu F8 N12 -","- C48 H40 B4 Cu2 F16 N24 -","2","0.5","FG1212","Jircitano, A. J.; Sommerer, S. O.; Abboud, K. A.","<i>trans</i>-Bis[4-amino-3,5-bis(2-pyridyl)-1,2,4-triazole-<i>N</i>^1^,<i>N</i>']copper(II) Bis(tetrafluoroborate)","Acta Crystallographica Section C","1997","53","4","434","436","10.1107/S0108270196015028","","","0.71073","MoKα","","0.0895","0.0578","","0.169","0.1467","","","","1.043","1.14","1.14","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006054","9.988","0.002","15.154","0.005","23.193","0.007","90","","90.31","0.02","90","","3510.4","1.7","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Mer,trans-(acetonitrile)trichlorobis(triphenylphosphine)rhenium(III)","(OC-6-13)-(Acetonitrile)trichlorobis(triphenylphosphine)rhenium(III)","","- C38 H33 Cl3 N P2 Re -","- C38 H33 Cl3 N P2 Re -","- C152 H132 Cl12 N4 P8 Re4 -","4","1","FG1219","Davis, M.; Bélanger-Gariépy, F.; Zargarian, D.; Beauchamp, A. L.","Reinvestigation of <i>mer</i>,<i>trans</i>-(Acetonitrile)trichlorobis(triphenylphosphine)rhenium(III)","Acta Crystallographica Section C","1997","53","4","428","430","10.1107/S0108270196014680","","","1.5418","CuKα","","0.0588","0.0367","","0.0839","0.0791","","","","0.865","0.982","0.982","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006055","11.48","0.002","15.846","0.003","15.14","0.003","90","","91.5","0.03","90","","2753.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Me~4~N)[Hg(SCOPh)~3~]","Tetramethylammonium Tris(thiobenzoato)mercury(II)","","- C25 H27 Hg N O3 S3 -","- C25 H27 Hg N O3 S3 -","- C100 H108 Hg4 N4 O12 S12 -","4","1","FG1233","Vittal, J. J.; Dean, P. A. W.","Tetramethylammonium Tris(thiobenzoato-<i>O</i>,<i>S</i>)mercury(II)","Acta Crystallographica Section C","1997","53","4","409","410","10.1107/S0108270196014692","","","0.71073","MoKα","","0.0922","0.0485","","0.1222","0.1037","","","","1.037","1.124","1.124","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006056","10.4082","0.0017","19.453","0.004","7.3882","0.0019","90","","90","","90","","1495.9","0.5","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(SR,1R,2S)-1-(t-Butylsulfinyl)-2-(hydroxymethyl)ferrocene","","- C15 H20 Fe O2 S -","- C15 H20 Fe O2 S -","- C60 H80 Fe4 O8 S4 -","4","1","FG1237","Robinson, P. D.; Hua, D. H.; Lagneau, N. M.; Robben, P. M.; Meyers, C. Y.","(S<i>R</i>,1<i>R</i>,2<i>S</i>)-1-(<i>tert</i>-Butylsulfinyl)2-(hydroxymethyl)ferrocene","Acta Crystallographica Section C","1997","53","4","445","447","10.1107/S0108270196014916","","","0.71069","MoKα","","","0.039","","","0.036","","","","","1.17","1.17","","","","","has coordinates","191858","2020-10-21","18:00:00",""
"2006057","6.906","0.004","12.009","0.007","14.643","0.008","90","","95.88","0.04","90","","1208","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-phenylenebis(diphenylphosphine oxide)","","- C30 H24 O2 P2 -","- C30 H24 O2 P2 -","- C60 H48 O4 P4 -","2","0.5","FG1247","Alexander, N. C.; Robinson, B. H.; Simpson, J.","1,4-Phenylenebis(diphenylphosphine oxide)","Acta Crystallographica Section C","1997","53","4","465","467","10.1107/S0108270196014709","","","0.71073","MoKα","","0.0947","0.0516","","0.0451","0.0405","","","","","1.3996","1.3996","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006058","9.324","0.003","17.688","0.004","17.81","0.006","90","","95.77","0.03","90","","2922.4","1.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-1,4-Bis(diphenylphosphino)phenylene-P,P'-bis[μ~3~-benzylidene-octacarbonyl- triangulo-tricobalt(3 Co—Co)]","","- C60 H34 Co6 O16 P2 -","- C60 H34 Co6 O16 P2 -","- C120 H68 Co12 O32 P4 -","2","0.5","FG1249","Alexander, N. C.; Robinson, B. H.; Simpson, J.","μ-1,4-Bis(diphenylphosphino)phenylene-<i>P</i>:<i>P</i>'-bis[μ~3~-benzylidyne-octacarbonyl-<i>triangulo</i>-tricobalt(3 <i>Co</i>—<i>Co</i>)]","Acta Crystallographica Section C","1997","53","4","425","428","10.1107/S010827019601503X","","","0.71073","MoKα","","","0.0487","","","0.0434","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006059","10.1662","0.0016","12.404","0.003","9.0923","0.0014","100.677","0.015","102.334","0.012","111.728","0.014","995.4","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","","2-Phenyl-4-(9'-fluorenoxy)-1(2H)-phthalazinone","","- C27 H18 N2 O2 -","- C27 H18 N2 O2 -","- C54 H36 N4 O4 -","2","1","FG1251","Bausch, M. J.; Robinson, P. D.; Gong, Y.","4-(9-Fluorenoxy)-2-phenylphthalazin-1(2<i>H</i>)-one","Acta Crystallographica Section C","1997","53","4","517","519","10.1107/S0108270196015156","","","0.71069","MoKα","","0.0898","0.035","","0.1097","0.0863","","","","1.022","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006060","19.67","0.006","15.904","0.003","9.485","0.006","90","","90","","90","","2967","2","295","1","295","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N3 -","- C17 H19 N3 -","- C136 H152 N24 -","8","1","FG1252","Parvez, M.","Antazoline","Acta Crystallographica Section C","1997","53","4","506","508","10.1107/S0108270196015934","","","0.71069","MoKα","","0.198","0.0493","","0.2972","0.1289","","","","1.012","1.136","1.136","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006061","7.3045","0.0002","9.8633","0.0003","10.7436","0.0004","90","","98.608","0.001","90","","765.32","0.04","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Nitroacetophenone","","- C8 H7 N O3 -","- C8 H7 N O3 -","- C32 H28 N4 O12 -","4","1","HA1182","Bolte, M.; Scholtyssik, M.","<i>meta</i>-Nitroacetophenone at 173K","Acta Crystallographica Section C","1997","53","4","474","476","10.1107/S0108270196015545","","","0.71073","MoKα","","0.0406","0.0354","","0.1027","0.0998","","","","1.044","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006062","13.853","0.001","10.988","0.002","16.678","0.002","90","","98.703","0.007","90","","2509.4","0.6","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{S-(1-lithio-2,2-diphenylethenyl)-N-methyl-S-phenylsulfoximine- tetrahydrofuran} tetrahydrofuran solvate","","- C54 H60 Li2 N2 O5 S2 -","- C54 H60 Li2 N2 O5 S2 -","- C108 H120 Li4 N4 O10 S4 -","2","0.5","JZ1153","Zehnder, M.; Müller, J. F. K.; Neuburger, M.","Bis{μ-[1-(<i>N</i>-Methylsulfonimidoyl)-2,2-diphenylethene]}-1κ^2^<i>C</i>^1^,<i>N</i>:2κ<i>O</i>;1κ<i>O</i>:2κ^2^<i>C</i>^1^,<i>N</i>-bis[(tetrahydrofuran-<i>O</i>)lithium] Tetrahydrofuran Solvate and 1-(<i>N</i>-Methylphenylsulfonimidoyl)-2,2-diphenylethene","Acta Crystallographica Section C","1997","53","4","419","422","10.1107/S0108270196014412","","","1.5418","CuKα","","","0.0623","","","0.0702","","","","","0.97","0.97","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006063","6.0861","0.0004","11.9803","0.0007","12.4121","0.0007","97.17","0.004","90.662","0.005","99.241","0.005","885.82","0.09","293","","293","","","","","","","","","5","P -1","-P 1","2","","2,2-Diphenylethenyl-N-methyl-S-phenylsulfoximine","","- C21 H19 N O S -","- C21 H19 N O S -","- C42 H38 N2 O2 S2 -","2","1","JZ1153","Zehnder, M.; Müller, J. F. K.; Neuburger, M.","Bis{μ-[1-(<i>N</i>-Methylsulfonimidoyl)-2,2-diphenylethene]}-1κ^2^<i>C</i>^1^,<i>N</i>:2κ<i>O</i>;1κ<i>O</i>:2κ^2^<i>C</i>^1^,<i>N</i>-bis[(tetrahydrofuran-<i>O</i>)lithium] Tetrahydrofuran Solvate and 1-(<i>N</i>-Methylphenylsulfonimidoyl)-2,2-diphenylethene","Acta Crystallographica Section C","1997","53","4","419","422","10.1107/S0108270196014412","","","1.5418","CuKα","","","0.0394","","","0.0473","","","","","1.03","1.03","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006064","17.582","0.012","9.451","0.008","24.558","0.017","90","","98.88","0.08","90","","4032","5","150","0.2","150","0.2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C8 H24 F12 N4 Ni P2 S2 -","- C8 H24 F12 N4 Ni P2 S2 -","- C64 H192 F96 N32 Ni8 P16 S16 -","8","1","JZ1164","Blake, A. J.; Danks, J. P.; Parsons, S.; Schröder, M.","Bis[bis(2-aminoethyl-<i>N</i>)sulfide-<i>S</i>]nickel(II) Bis(hexafluorophosphate)","Acta Crystallographica Section C","1997","53","4","411","413","10.1107/S0108270196013297","","","0.71073","MoKα","","0.0907","0.0647","","0.302","0.2062","","","","1.044","0.856","0.856","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006065","9.0191","0.0009","10.715","0.002","15.374","0.002","90","","94.382","0.01","90","","1481.4","0.4","293","2","293","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Diphenylphosphinoyl-1,3-dioxane ?","","- C16 H17 O3 P -","- C16 H17 O3 P -","- C64 H68 O12 P4 -","4","1","KA1181","Majzner, W. R.; Wieczorek, M. W.; Mikołajczyk, M.; Graczyk, P. P.","2-(Diphenylphosphinoyl)-1,3-dioxane","Acta Crystallographica Section C","1997","53","4","467","469","10.1107/S0108270196005604","","","1.54178","CuKα","","0.0859","0.0564","","0.156","0.1362","","","","1.067","1.135","1.135","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006066","9.363","0.001","9.363","0.001","11.015","0.002","90","","90","","120","","836.3","0.2","293","2","293","2","","","","","","","","4","P 32","P 32","145","","N'-Ethoxiyarbonyl-1-Methylpyrrole-2-carbohydrazide.","","- C9 H13 N3 O3 -","- C9 H13 N3 O3 -","- C27 H39 N9 O9 -","3","1","KA1194","Liu-Gonzalez, M.; Sanz-Ruiz, F.; Gonzalez-Rosende, M. E.; Lozano-Lucía, O.; Zaballos-García, E.; Sepulveda-Arqués, J.","Ethyl <i>N</i>-Methyl-2-pyrrolylcarbonylhydrazinocarboxylate","Acta Crystallographica Section C","1997","53","4","490","491","10.1107/S0108270196013583","","","0.71073","MoKα","","","0.036","","","0.046","","","","","1.734","1.734","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006067","8.192","0.003","19.278","0.005","16.952","0.002","90","","100.2","0.2","90","","2635","2","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 F3 N3 O3 -","- C12 H12 F3 N3 O3 -","- C96 H96 F24 N24 O24 -","8","2","KA1209","Yanes, C.; Torres, M.; López-Rodríguez, M.; Núñez, P.; Brito, I.","<i>N</i>-(5-Nitro-2-pyrrolidinylphenyl)trifluoroacetamide","Acta Crystallographica Section C","1997","53","4","492","493","10.1107/S0108270196014679","","","1.54055","CuKα","","","0.0446","","","0.137","","","","","0.635","0.635","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006068","11.72","0.01","9.57","0.01","10.69","0.01","100.42","0.1","110.81","0.1","103.55","0.1","1043","2","288","","288","","","","","","","","","6","P -1","-P 1","2","","(2,2'-bipyridyl)-sesqui(trifluoroacetato-mercury(II))","","- C16 H8 F9 Hg1.5 N2 O6 -","- C16 H8 F9 Hg1.5 N2 O6 -","- C32 H16 F18 Hg3 N4 O12 -","2","1","LI1151","Halfpenny, J.; Small, R. W. H.","The Mercury(II) Trifluoroacetate‒Bipyridyl System","Acta Crystallographica Section C","1997","53","4","438","443","10.1107/S0108270196012772","","","0.7107","MoKα","","","0.046","","","0.05","","","","","2.375","2.375","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006069","12.78","0.01","16.06","0.02","10.58","0.01","86.46","0.09","90.18","0.09","80.29","0.08","2136","4","288","","288","","","","","","","","","6","P -1","-P 1","2","","tris(2,2'-bipyridyl)-bis(trifluoroacetato_mercury(II))","","- C38 H24 F12 Hg2 N6 O8 -","- C38 H24 F12 Hg2 N6 O8 -","- C76 H48 F24 Hg4 N12 O16 -","2","1","LI1151","Halfpenny, J.; Small, R. W. H.","The Mercury(II) Trifluoroacetate‒Bipyridyl System","Acta Crystallographica Section C","1997","53","4","438","443","10.1107/S0108270196012772","","","0.7107","MoKα","","","0.049","","","0.053","","","","","2.227","2.227","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006070","16.54","0.02","11.06","0.01","7.59","0.01","98.6","1","87.7","0.9","67.2","0.7","1258","9","288","","288","","","","","","","","","6","P -1","-P 1","2","","bis(2,2'-bipyridyl)-trifluoroacetato-mercury(II)","","- C24 H16 F6 Hg N4 O4 -","- C24 H16 F6 Hg N4 O4 -","- C48 H32 F12 Hg2 N8 O8 -","2","1","LI1151","Halfpenny, J.; Small, R. W. H.","The Mercury(II) Trifluoroacetate‒Bipyridyl System","Acta Crystallographica Section C","1997","53","4","438","443","10.1107/S0108270196012772","","","0.7107","MoKα","","","0.052","","","0.057","","","","","2.267","2.267","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006071","16.848","0.002","6.261","0.001","17.034","0.001","90","","132.49","0.03","90","","1325","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Sodium trans-Bis(methyliminodiacetato)chromate(III)","","- C10 H14 Cr N2 Na O8 -","- C10 H14 Cr N2 Na O8 -","- C40 H56 Cr4 N8 Na4 O32 -","4","0.5","MU1280","Suh, J.-S.; Park, S.-J.; Lee, K.-W.; Suh, I.-H.; Lee, J.-H.; Song, J.-H.; Oh, M.-R.","Sodium <i>trans</i>-Bis(methyliminodiacetato-<i>O</i>,<i>N</i>,<i>O</i>)chromate(III), Na[Cr(C~5~H~7~NO~4~)~2~]","Acta Crystallographica Section C","1997","53","4","432","434","10.1107/S0108270196013327","","","0.71069","MoKα","","0.0318","0.0284","","0.0797","0.0741","","","","0.168","0.166","0.166","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006072","10.268","0.001","13.845","0.002","11.742","0.002","90","","101.73","0.01","90","","1634.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","toluenesulfonamide 2(-)-limonene","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","NA1220","","(±)-N-[1,8(10)-menthadien-3-yl]toluenesulfonamide","Acta Crystallographica C","1997","53","","519","521","10.1107/S0108270196013777","","","1.54178","CuKα","","0.055","0.0484","","0.1401","0.133","","","","1.059","1.076","1.076","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2006073","9.484","0.005","10.949","0.007","35.744","0.02","90","0","93.87","0.04","90","0","3703","4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 As Cl3 N3 O6 S Tc -","- C34 H31 As Cl9 N3 O6 S Tc -","- C136 H124 As4 Cl36 N12 O24 S4 Tc4 -","4","1","NA1260","Blaton, N. M.; Bormans, G.; Peeters, O. M.; Verbruggen, A.","Epimer B of Tetraphenylarsonium (Mercaptoacetylalanylglycylglycinato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>S</i>)oxotechnetate(V) (^99^Tc) Chloroform Solvate","Acta Crystallographica Section C","1997","53","4","449","451","10.1107/S0108270196014874","","","0.71073","MoKα","","0.1437","0.0489","","0.1935","0.1317","","","","1.006","1.053","1.053","","","","","has coordinates","211412","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",""
"2006075","8.8435","0.001","8.7911","0.001","7.7906","0.001","90","","90","","90","","605.67","0.12","293","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","TRIS","Tris(2-hydroxymethyl)aminomethane","","- C4 H11 N O3 -","- C4 H11 N O3 -","- C16 H44 N4 O12 -","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","","0.0352","0.032","","0.0883","0.0837","","","","1.042","1.045","1.045","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006076","7.17","0.001","30.766","0.001","16.91","0.001","90","","90","","90","","3730.2","0.6","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","isotretinoin","13-cis-retinoic acid","","- C20 H28 O2 -","- C20 H27.8 O2 -","- C160 H222.4 O16 -","8","","NA1267","Malpezzi, L.; Fuganti, C.; Grasselli, P.","Disorder in 13-<i>cis</i>-Retinoic Acid","Acta Crystallographica Section C","1997","53","4","508","511","10.1107/S0108270196014588","","","1.54178","CuKα","","0.0555","0.0449","","0.133","0.1216","","","","1.043","1.072","1.072","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006077","8.766","0.002","10.759","0.002","13.158","0.002","105.084","0.011","104.568","0.012","97.278","0.01","1134.9","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","4-(1,7,8,9,10,10-Hexachloro-3,5-dioxo-4-aza-tricyclo-[5.2.1.0^2,6^]dec-8- en-4-yl-butyracid","","- C20 H17 Cl6 N O4 -","- C20 H17 Cl6 N O4 -","- C40 H34 Cl12 N2 O8 -","2","1","NA1268","Bartkowska, B.; Bohnen, F. M.; Krüger, C.; Maier, W. F.","4-(1,7,8,9,10,10-Hexachloro-3,5-dioxo-4-azatricyclo[5.2.1.0^2,6^]dec-8-en-4-yl)butyric Acid Toluene Solvate","Acta Crystallographica Section C","1997","53","4","521","522","10.1107/S0108270196015569","","","0.71069","MoKα","","0.0359","0.0337","","0.1104","0.109","","","","1.134","1.159","1.159","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006078","3.9851","0.0005","16.547","0.003","11.841","0.002","90","","93.2","0.01","90","","779.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-dibromo-5-hydroxybenzaldehyde","","- C7 H4 Br2 O2 -","- C7 H4 Br2 O2 -","- C28 H16 Br8 O8 -","4","1","NA1276","Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; d Rocha Gonsalves, A. M.; Pereira, M. M.; Serra, A. C.","2,4-Dibromo-5-hydroxybenzaldehyde","Acta Crystallographica Section C","1997","53","4","494","496","10.1107/S0108270196015296","","","0.71073","MoKα","","0.1112","0.0279","","0.0681","0.0507","","","","1.013","1.018","1.018","","","","","has coordinates,has Fobs","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",""
"2006080","11.232","0.004","9.175","0.003","10.444","0.004","90","0","107.09","0.03","90","0","1028.8","0.7","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","0.5","OH1103","Kanno, H.; Iijima, K.","4,4'-Dimethyl-2,2'-bipyridine 1,1'-Dioxide","Acta Crystallographica Section C","1997","53","4","498","499","10.1107/S010827019601548X","","","0.71073","MoKα","","","0.0572","","","0.0585","","","","","1.59","1.59","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006081","8.468","0.002","9.778","0.003","15.193","0.001","90","","90","","90","","1258","0.5","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[N-hydroxy-2-méthylpyrrolidin-2-yl] phosphonate de diéthyle","","- C9 H20 N O4 P -","- C9 H20 N O4 P -","- C36 H80 N4 O16 P4 -","4","1","PA1234","Barbati, S.; Siri, D.; Tordo, P.; Reboul, J.-P.","(<i>N</i>-Hydroxy-2-méthylpyrrolidin-2-yl)phosphonate de Diéthyle","Acta Crystallographica Section C","1997","53","4","461","463","10.1107/S0108270196014448","","","0.71069","MoKα","","0.033","0.033","","0.032","0.032","","","","0.21","0.21","0.21","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006082","6.6446","0.0005","9.4721","0.0008","35.046","0.002","90","","90","","90","","2205.7","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(thian-5-one-1,1-dioxide)-3-spiro-3'-(5'-O-tert-butyldimethylsilyl-3'- deoxy-1',2'-O-isopropylidene-alpha-D-xylo-pentofuranose)","","- C18 H32 O7 S Si -","- C18 H32 O7 S Si -","- C72 H128 O28 S4 Si4 -","4","1","PA1244","Bernardinelli, G.; Tronchet, J. M. J.; Kovacs, I.","Absolute Structure of (Thian-5-one 1,1-dioxide)-3-spiro-3'-(5'-<i>O</i>-<i>tert</i>-butyldimethylsilyl-3'-deoxy-1',2'-<i>O</i>-isopropylidene-α-<small>D</small>-<i>xylo</i>-pentofuranose), a Novel Type of Spirosugar","Acta Crystallographica Section C","1997","53","4","511","513","10.1107/S010827019601445X","","","1.54184","CuKα","","0.068","0.059","","0.048","0.041","","","","3.432","3.101","3.101","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006083","32.156","0.013","7.114","0.002","12.118","0.006","90","","101.47","0.06","90","","2717","2","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","","(3R),(2'S)-2'-N-Dibenzylamino-1,2:5,6-diisopropylidène-α-D-allofuranos-3- spiro-β-propiolactone","","- C28 H33 N O7 -","- C28 H33 N O7 -","- C112 H132 N4 O28 -","4","1","PA1245","Chiaroni, A.; Riche, C.; Bouifraden, S.; Lavergne, J.-P.; Viallefont, P.","(3<i>R</i>,2'<i>S</i>)-2'-<i>N</i>-Dibenzylamino-1,2:5,6-di-<i>O</i>-isopropylidène-α-<small>D</small>-allofuranose-3-spiro-3'-β-propiolactone","Acta Crystallographica Section C","1997","53","4","457","459","10.1107/S0108270196014461","","","1.5418","CuKα","","","0.054","","","0.072","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006084","7.473","0.002","13.971","0.006","21.769","0.011","90","","90","","90","","2272.8","1.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","méthyl (2R,5S)-1-N-benzyl-5-méthoxycarbonylprolyl-(2S)-phénylalaninate","","- C24 H28 N2 O5 -","- C24 H28 N2 O5 -","- C96 H112 N8 O20 -","4","1","PA1246","Chiaroni, A.; Riche, C.; Zair, T.; Guenoun, F.; Lazaro, R.; Viallefont, P.","Méthyl <i>N</i>-[(2<i>R</i>,5<i>S</i>)-1-<i>N</i>-Benzyl-5-méthoxycarbonylprolyl]-(<i>S</i>)-phénylalaninate","Acta Crystallographica Section C","1997","53","4","459","461","10.1107/S0108270196014606","","","1.5418","CuKα","","","0.075","","","0.107","","","","","1.09","1.09","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2006085","5.131","0.005","13.261","0.008","12.718","0.005","90","","94.95","0.08","90","","862.1","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[(1,2-ethanediyl)bis(nitrilopropylidyne)]bisphenol","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C40 H48 N4 O4 -","2","0.5","PA1247","Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.","Two Schiff Base Ligands Derived from 1,2-Diaminoethane","Acta Crystallographica Section C","1997","53","4","486","488","10.1107/S0108270196014473","","","0.71073","MoKα","","0.0952","0.0423","","0.0927","0.0809","","","","0.723","1.002","1.002","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006086","18.53","0.008","13.443","0.01","17.737","0.008","90","","90","","90","","4418","4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,2'-[(1,2-ethanediyl)bis(nitrilobenzylidyne)]bisphenol","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C224 H192 N16 O16 -","8","2","PA1247","Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.","Two Schiff Base Ligands Derived from 1,2-Diaminoethane","Acta Crystallographica Section C","1997","53","4","486","488","10.1107/S0108270196014473","","","0.71073","MoKα","","0.1121","0.0394","","0.0854","0.0674","","","","0.546","0.796","0.796","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006087","17.491","0.004","14.236","0.003","18.656","0.004","90","","100.24","0.02","90","","4571.4","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","μ-hydrido-μ-dicyclohexylphosphido-bis(dicyclohexylphosphine-tricarbonyl- rhenium)","","- C42 H69 O6 P3 Re2 -","- C42 H69 O6 P3 Re2 -","- C168 H276 O24 P12 Re8 -","4","0.5","SK1060","Flörke, U.; Haupt, H.-J.","μ-Hydrido-μ-dicyclohexylphosphido-bis[dicyclohexylphosphine(tricarbonyl)rhenium]","Acta Crystallographica Section C","1997","53","4","404","406","10.1107/S0108270196014291","","","0.71073","MoKα","","0.0784","0.0424","","0.0635","0.0575","","","","0.944","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006088","19.818","0.004","6.676","0.002","20.035","0.004","90","","109.044","0.011","90","","2505.7","1","294","","294","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(2'-Dimethylaminoethyl)-2-hydroxy-5-nitrobenzylamine","","- C11 H17 N3 O3 -","- C11 H17 N3 O3 -","- C88 H136 N24 O24 -","8","1","AB1425","Hazell, Alan; Overgaard, Jacob; Lausen, Søren Konstmann; Hu, Hongjuan; Khoo, Lian Ee","2-[2-(Dimethylamino)ethylammoniomethyl]-4-nitrophenolate","Acta Crystallographica Section C","1997","53","5","640","641","10.1107/S0108270196015491","","","0.71073","MoKα","","","0.065","","","0.069","","","","","1.28","1.28","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2006089","10.4657","0.0006","10.8221","0.0005","11.416","0.0005","76.542","0.004","65.033","0.004","73.103","0.004","1112.49","0.1","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","Bis(2,2,6,6,10,10-hexamethyl-4,8-dioxaundecanedioate)bis(pyridine)dirhodium(II)","","- C40 H62 N2 O12 Rh2 -","- C40 H62 N2 O12 Rh2 -","- C40 H62 N2 O12 Rh2 -","1","0.5","AB1452","Gallagher, John F.; Ferguson, George; McAlees, Alan J.","Bis(μ-2,2,6,6,10,10-hexamethyl-4,8-dioxaundecanedioato-<i>O</i>^1^,<i>O</i>^11^:<i>O</i>^1'^,<i>O</i>^11'^)bis(pyridine-<i>N</i>)dirhodium(II)(<i>Rh</i>—<i>Rh</i>)","Acta Crystallographica Section C","1997","53","5","576","579","10.1107/S010827019700142X","","","0.7107","MolybdenumKα","","0.027","0.0195","","0.0462","0.0447","","","","1.028","1.07","1.07","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006090","11.2525","0.0011","7.095","0.0012","18.612","0.002","90","","90","","90","","1485.9","0.3","294","1","294","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,4-Diazabicyclo[2.2.2]octane‒1,3,5-benzenetricarboxylic acid (1/1). .","","- C15 H18 N2 O6 -","- C15 H18 N2 O6 -","- C60 H72 N8 O24 -","4","0.5","AB1456","Meehan, Paul R.; Ferguson, George; Glidewell, Christopher; Patterson, Iain L.J.","Molecular Tiling in the 1:1 Adduct of 1,4-Diazabicyclo[2.2.2]octane and 1,3,5-Benzenetricarboxylic Acid","Acta Crystallographica Section C","1997","53","5","628","631","10.1107/S0108270197001200","","","0.7107","MolybdenumKα","","0.0912","0.0489","","0.1531","0.1407","","","","1.06","1.288","1.288","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006091","10.358","0.002","13.627","0.003","13.872","0.003","90.16","0.01","98.47","0.01","103.23","0.01","1883.9","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Sodium (μ-hydroxo)-bis(1,10-phenanthroline-N,N')- bis(thiosulfate-S)-di-Zinc(II), 4.35 hydrate, 0.85 methanol solvate","","- C28.85 H37.1 N4 Na O12.2 S4 Zn2 -","- C28.85 H37.1 N4 Na O12.2 S4 Zn2 -","- C57.7 H74.2 N8 Na2 O24.4 S8 Zn4 -","2","1","BK1290","Baggio, Sergio; Pardo, Maria I.; Baggio, Ricardo; Garland, Maria Teresa","Sodium Bis(2,9-dimethyl-1,10-phenanthroline)-μ-hydroxo-di(thiosulfato)dizinc(II) Pentahydrate Methanol Solvate","Acta Crystallographica Section C","1997","53","5","551","554","10.1107/S0108270196015375","","","0.71073","MoKα","","0.064","0.039","","0.112","0.095","","","","0.96","0.975","0.975","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2006092","21.329","0.005","9.268","0.005","8.262","0.005","90","0.005","106.16","0.005","90","0.005","1568.7","1.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","(1S,2R,3S,4R)-3-Benzamido-3-methoxycarbonylbicyclo[2.2.1]heptane-2- carboxylic acid.","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","BM1118","Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.","A Conformationally Restricted Aspartic Acid Analogue with a Norbornane Skeleton. II","Acta Crystallographica Section C","1997","53","5","626","628","10.1107/S0108270196015727","","","0.71073","MoKα","","0.0862","0.0688","","0.2488","0.1894","","","","1.117","1.152","1.152","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006093","9.8797","0.0007","12.2119","0.0008","7.6464","0.0006","90","","104.394","0.006","90","","893.58","0.11","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","Trisodium trimetaphosphimate monohydrate","Trisodium-tri-μ-imido-cyclotriphosphate monohydrate","","- H5 N3 Na3 O7 P3 -","- H5 N3 Na3 O7 P3 -","- H20 N12 Na12 O28 P12 -","4","1","BM1119","Stock, Norbert; Schnick, Wolfgang","Trisodium Trimetaphosphimate Monohydrate","Acta Crystallographica Section C","1997","53","5","532","534","10.1107/S010827019601520X","","","0.71073","MoKα","","0.0435","0.0311","","0.0663","0.0619","","","","1.031","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006094","12.761","0.002","12.1276","0.0013","7.9969","0.0009","90","","102.907","0.01","90","","1206.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-9-(Carboxymethyl)-2,6-diazidopurine methyl ester","","- C8 H6 N10 O2 -","- C8 H6 N10 O2 -","- C32 H24 N40 O8 -","4","1","BM1122","Sood, Geeta; Schwalbe, Carl H.; Fraser, William","2,6-Diazido-9-(carboxymethyl)purine Methyl Ester","Acta Crystallographica Section C","1997","53","5","608","610","10.1107/S0108270196015764","","","1.54178","CuKα","","0.0916","0.0629","","0.1961","0.1646","","","","1.036","1.119","1.119","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006095","20.86","0.004","9.09","0.002","17.202","0.003","90","","92.23","0.03","90","","3259.3","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(1,1-bis(dimethylphosphonate)-1-hydroxyethane) praseodymium trinitrate","Bis(1,1-bis(dimethylphosphonato)-1-hydroxyethane) praseodymium (III) nitrate","","- C12 H32 N3 O23 P4 Pr -","- C12 H32 N2.5 O22.5 P4 Pr0.5 -","- C48 H128 N10 O90 P16 Pr2 -","4","0.5","BM1127","Lees, Anthony M. J.; Platt, Andrew W. G.; Kresinski, Roman A.","Bis[1-hydroxyethane-1,1-diylbis(dimethyl phosphonate-<i>O</i>)]tris(nitrato-<i>O</i>,<i>O</i>')praseodymium","Acta Crystallographica Section C","1997","53","5","581","583","10.1107/S0108270197000437","","","0.71069","MoKα","","0.0359","0.0348","","0.0881","0.0868","","","","0.825","0.836","0.836","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006096","7.761","0.001","11.513","0.003","5.5234","0.0009","90","","90","","90","","493.53","0.16","293","","","","","","","","","","","3","C m m a","-C 2a 2","67","","","","- Ba F6 Tb -","- Ba F6 Tb -","- Ba4 F24 Tb4 -","4","0.25","BR1157","Largeau, Eric; El-Ghozzi, Malika; Métin, Jacques; Avignant, Daniel","β-BaTbF~6~","Acta Crystallographica Section C","1997","53","5","530","532","10.1107/S0108270196014527","","","0.71073","MoKα","","","0.026","","","0.03","","","","","1.615","1.615","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006097","13.843","0.002","10.683","0.002","8.155","0.002","90","","99.13","0.02","90","","1190.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis[N-(4-bromophenyl)salicylaldimine]copper(II)","","- C26 H18 Br2 Cu N2 O2 -","- C26 H18 Br2 Cu N2 O2 -","- C52 H36 Br4 Cu2 N4 O4 -","2","0.5","CF1096","Elerman, Yalçin; Geselle, Marcus","Bis[<i>N</i>-(4-bromophenyl)salicylaldimine]copper(II)","Acta Crystallographica Section C","1997","53","5","549","551","10.1107/S010827019601387X","","","0.71073","MoKα","","","0.0434","","","0.1208","","","","","1.117","1.117","","","","","has coordinates,has Fobs","191978","2020-10-21","18:00:00",""
"2006098","14.224","0.002","8.882","0.002","22.885","0.005","90","","101.47","0.01","90","","2833.5","1","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 O12 Pb -","- C26 H28 N2 O12 Pb -","- C104 H112 N8 O48 Pb4 -","4","1","CF1121","Lin, Ching-Shan; Liu, Lilian Kao; Ueng, Chuen-Her","(Benzyl <i>sym</i>-dibenzo-16-crown-5 ether)lead(II) Dinitrate","Acta Crystallographica Section C","1997","53","5","574","576","10.1107/S0108270196015739","","","0.7107","MoKα","","","0.035","","","0.026","","","","","2.05","2.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006099","3.725","0.001","4.773","0.001","4.936","0.001","107.03","0.02","107.23","0.02","101.57","0.02","76.08","0.04","293","","293","","","","","","","","","3","P 1","P 1","1","tetrazole","α-1H-1,2,3,4-tetrazole","","- C H2 N4 -","- C H2 N4 -","- C H2 N4 -","1","1","CF1151","Goddard, Richard; Heinemann, Oliver; Krüger, Carl","α-1<i>H</i>-1,2,3,4-Tetrazole","Acta Crystallographica Section C","1997","53","5","590","592","10.1107/S0108270197000772","","","0.71069","MoKα","","0.0436","0.042","","0.101","0.099","","","","1.111","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006100","18.52","0.002","5.7602","0.0007","16.788","0.002","90","","114.78","0.02","90","","1626","0.4","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(N-propionamido-β-alaninatocopper(II) hydrate","","- C12 H24 Cu N4 O7 -","- C12 H24 Cu N4 O7 -","- C48 H96 Cu4 N16 O28 -","4","0.5","DE1046","Chen, Wei; Lim, Meng-chay","Two Isomeric Bis(<i>n</i>-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O","Acta Crystallographica Section C","1997","53","5","539","543","10.1107/S0108270196015417","","","0.71073","MoKα","","0.0542","0.0339","","0.1054","0.0882","","","","0.756","0.732","0.732","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006101","18.357","0.003","5.7887","0.0004","17.728","0.003","90","","119.52","0.02","90","","1639.3","0.5","300","2","300","2","","","","","","","","5","C 1 2 1","C 2y","5","","bis(N-propionamido-α-alaninato)copper(II) hydrate","","- C12 H24 Cu N4 O7 -","- C12 H24 Cu N4 O7 -","- C48 H96 Cu4 N16 O28 -","4","1","DE1046","Chen, Wei; Lim, Meng-chay","Two Isomeric Bis(<i>n</i>-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O","Acta Crystallographica Section C","1997","53","5","539","543","10.1107/S0108270196015417","","","0.71073","MoKα","","0.0395","0.0338","","0.0776","0.073","","","","1.113","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006102","6.8175","0.0008","10.762","0.002","13.71","0.002","90","","90","","90","","1006","0.3","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 Br Cu N2 O3 -","- C6 H11 Br Cu N2 O3 -","- C24 H44 Br4 Cu4 N8 O12 -","4","1","","Chen, Wei; Lim, Meng-chay","Two Isomeric Bis(n-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O","Acta Crystallographica Section C","1997","53","","539","543","","","","","","","","0.0292","","","0.0516","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2006103","7.6203","0.0004","10.2094","0.0009","14.045","0.002","90","","90","","90","","1092.7","0.2","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 Br Cu N2 O4 -","- C6 H11 Br Cu N2 O4 -","- C24 H44 Br4 Cu4 N8 O16 -","4","1","DE1046","Chen, Wei; Lim, Meng-chay","Two Isomeric Bis(n-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O","Acta Crystallographica Section C","1997","53","5","539","543","10.1107/S0108270196015417","","","","","","","0.0478","","","0.1148","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2006104","12.03","0.001","19.854","0.002","17.091","0.002","90","","97.21","0.01","90","","4049.8","0.7","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","chloro(tri-n-butylphosphine)cobaloxime","trans-chlorobis(diphenylglyoximato)(tri-n-butylphosphine)cobalt(III)","","- C40 H49 Cl Co N4 O4 P -","- C40 H22 Cl Co N4 O4 P -","- C160 H88 Cl4 Co4 N16 O16 P4 -","4","1","FG1214","Barton, Richard J.; Major, Quinn; Mihichuk, Lynn M.; Robertson, Beverly E.; Seip, Candace","<i>trans</i>-Chlorobis(diphenylglyoximato)(tri-<i>n</i>-butylphosphine)cobalt(III)","Acta Crystallographica Section C","1997","53","5","568","570","10.1107/S010827019601565X","","","0.713543","MoKα","","0.101","0.085","","0.044","0.043","","","","1.322","1.352","1.352","","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2006105","11.115","0.002","15.077","0.003","17.182","0.003","65.191","0.012","87.299","0.01","79.709","0.012","2570.3","0.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","meso-dimethyl-bis([2.2]paracyclophan-4-yl)silane","","- C34 H36 Si -","- C34 H36 Si -","- C136 H144 Si4 -","4","2","FG1229","Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars","A Diastereomeric Pair of Cyclophane Derivatives: Planar‒Chiral and <i>meso</i>-Dimethylbis([2.2]paracyclophan-4-yl)silane","Acta Crystallographica Section C","1997","53","5","612","615","10.1107/S0108270197000085","","","0.71073","MoKα","","0.1511","0.0531","","0.1106","0.0876","","","","0.788","1.007","1.007","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006106","13.941","0.002","17.694","0.002","10.4379","0.0014","90","","93.089","0.01","90","","2571","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","chiral dimethyl-bis([2.2]paracyclophan-4-yl)silane","","- C34 H36 Si -","- C34 H36 Si -","- C136 H144 Si4 -","4","1","FG1229","Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars","A Diastereomeric Pair of Cyclophane Derivatives: Planar‒Chiral and <i>meso</i>-Dimethylbis([2.2]paracyclophan-4-yl)silane","Acta Crystallographica Section C","1997","53","5","612","615","10.1107/S0108270197000085","","","0.71073","MoKα","","0.078","0.0457","","0.1144","0.1034","","","","0.92","1.059","1.059","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006107","11.872","0.002","8.477","0.002","34.557","0.005","90","","93.36","0.006","90","","3471.8","1.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Au B9 Cl5 P2 -","- C27 H31 Au B9 Cl5 P2 -","- C108 H124 Au4 B36 Cl20 P8 -","4","1","FG1231","Jones, Peter G.; Villacampa, M. Dolores; Crespo, Olga; Gimeno, M. Concepcíon; Laguna, Antonio","<i>cis</i>-[7,8-Bis(diphenylphosphino)-7,8-dicarba-<i>nido</i>-undecaborato-<i>P</i>,<i>P</i>']dichlorogold(III) Chloroform Solvate","Acta Crystallographica Section C","1997","53","5","570","572","10.1107/S0108270197002059","","","0.71073","MoKα","","0.0834","0.0412","","0.07","0.0624","","","","0.82","0.942","0.942","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006108","9.142","0.004","9.687","0.004","10.449","0.005","113.07","0.03","94.14","0.03","115.15","0.03","738.3","0.7","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","trans-3,5-Dioxo-3,5-diphenyl-4-oxa-1,3,5-thia-diphosphorinane","","- C14 H14 O3 P2 S -","- C14 H14 O3 P2 S -","- C28 H28 O6 P4 S2 -","2","1","FG1232","Jones, Peter G.; Weinkauf, Andreas","<i>trans</i>-3,5-Diphenyl-1,4,2,6-oxathiadiphosphorinane-3,5-dione","Acta Crystallographica Section C","1997","53","5","615","616","10.1107/S0108270197000073","","","0.71073","MoKα","","0.0339","0.0301","","0.0811","0.0776","","","","1.038","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006109","6.78","0.001","10.229","0.003","15.991","0.002","90","","98.83","0.02","90","","1095.9","0.4","293","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(+/-)-4,5-Dihydro-1-oxo-2a(3H)-acenaphthylenecarboxylic acid","","- C13 H12 O3 -","- C13 H12 O3 -","- C52 H48 O12 -","4","1","FG1238","Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","Catemeric Hydrogen Bonding in a γ-Keto Acid: (±)-2a,3,4,5-Tetrahydro-1(2<i>H</i>)-oxoacenaphthylene-2a-carboxylic Acid","Acta Crystallographica Section C","1997","53","5","599","601","10.1107/S0108270196015144","","","0.71073","MoKα","","0.1109","0.0565","","0.1481","0.1209","","","","1.037","1.133","1.133","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006110","14.4649","0.0009","18.015","0.002","8.0881","0.0008","90","","90","","90","","2107.6","0.3","20","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[1aS]-6-amino-8{[(aminocarbonyl)oxy]methyl}-1,1a,2,8,8a,8b- hexahydro-8a-methoxy-5-phenylthiomethylazirino[2',3':3,4]- pyrrolo[1,2-a]indole-4,7-dione","","- C21 H22 N4 O5 S -","- C21 H22 N4 O5 S -","- C84 H88 N16 O20 S4 -","4","1","FR1007","Sugaya, Nobutaka; Fujii, Isao; Hirayama, Noriaki; Arai, Hitoshi; Kasai, Masaji","Structural Studies of Mitomycins. IX. 6-Demethyl-6-(phenylthiomethyl)mitomycin C","Acta Crystallographica Section C","1997","53","5","610","612","10.1107/S0108270196015612","","","1.5418","CuKα","","","0.052","","","0.08","","","","","2.38","2.38","","","","","has coordinates,has disorder","194531","2020-10-21","18:00:00",""
"2006111","14.637","0.003","16.46","0.002","6.629","0.002","90","","90","","90","","1597.1","0.6","296","","296","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7 H9 N O3 S -","- C7 H9 N O3 S -","- C56 H72 N8 O24 S8 -","8","1","","Sugaya, Nobutaka; Fujii, Isao; Hirayama, Noriaki; Arai, Hitoshi; Kasai, Masaji","Structural Studies of Mitomycins. IX. Structure of 6-Demethyl-6-(phenylthiomethyl)mitomycin C","Acta Crystallographica Section C","1997","53","","610","612","","","","","","","","0.058","","","0.038","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2006112","15.908","0.002","7.337","0.005","16.798","0.002","90","","117.145","0.006","90","","1744.7","1.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-aminotoluene-3-sulfonic acid hemihydrate","","- C7 H10 N O3.5 S -","- C7 H10 N O3.5 S -","- C56 H80 N8 O28 S8 -","8","2","FR1011","Leonard, Melvin A.; Squattrito, Philip J.","Anhydrous and Hydrated 4-Aminotoluene-3-sulfonic Acid","Acta Crystallographica Section C","1997","53","5","648","651","10.1107/S0108270196015600","","","0.7107","MoKα","","","0.087","","","0.045","","","","","1.95","1.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006113","10.246","0.002","5.524","0.002","19.973","0.001","90","","90.463","0.009","90","","1130.4","0.5","173","2","173.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","FR1017","William H. Ojala; Ramaswamy A. Iyer; Patrick E. Hanna; William B. Gleason","Heterocyclic <i>N</i>-Acetoxyarylamines, Models for the Putative Ultimate Carcinogens of Aromatic Amines: 2-Acetoxyamino-5-phenylpyridine and 2-Acetoxyaminopyridine","Acta Crystallographica Section C","1997","53","5","634","637","10.1107/S0108270196015168","","","1.5418","CuKα","","","0.0369","","","0.0464","","","","","2.165","2.165","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006114","9.432","0.001","5.472","0.002","14.9983","0.0009","90","","101.657","0.007","90","","758.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","FR1017","William H. Ojala; Ramaswamy A. Iyer; Patrick E. Hanna; William B. Gleason","Heterocyclic <i>N</i>-Acetoxyarylamines, Models for the Putative Ultimate Carcinogens of Aromatic Amines: 2-Acetoxyamino-5-phenylpyridine and 2-Acetoxyaminopyridine","Acta Crystallographica Section C","1997","53","5","634","637","10.1107/S0108270196015168","","","1.5418","CuKα","","","0.0359","","","0.0362","","","","","2.602","2.602","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006115","9.823","0.002","19.6","0.002","11.384","0.002","90","","93.26","0.02","90","","2188.2","0.6","292","","292","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Trifluoromethyl(cobalt) tricarbonyl triphenylphosphine","","- C22 H15 Co F3 O3 P -","- C22 H15 Co F3 O3 P -","- C88 H60 Co4 F12 O12 P4 -","4","1","FR1018","Mullica, Donald F.; Sappenfield, Eric L.; Gipson, Stephen L.; Wilkinson, Chad C.","Tricarbonyl(trifluoromethyl)(triphenylphosphine)cobalt","Acta Crystallographica Section C","1997","53","5","572","574","10.1107/S0108270196015910","","","0.71073","MoKα","","0.098","0.051","","0.729","0.065","","","","","1.59","1.59","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006116","7.602","0.001","8.662","0.001","7.505","0.001","94.64","0.01","96.48","0.01","67.2","0.01","452.3","0.11","296","","296","","","","","","","","","4","P -1","-P 1","2","4-aminoquinoline-2-carboxylic acid monohydrate","4-aminoquinoline-2-carboxylic acid monohydrate","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C20 H20 N4 O6 -","2","1","FR1021","Burd, Craig J.; Dobson, Allison J.; Gerkin, Roger E.","α and β Phases of 4-Aminoquinoline-2-carboxylic Acid Monohydrate","Acta Crystallographica Section C","1997","53","5","602","605","10.1107/S0108270197000565","","","0.71073","MoKα","","","0.04","","","0.055","","","","","2.3","2.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006117","7.378","0.001","7.306","0.001","16.833","0.001","90","","95.544","0.007","90","","903.12","0.18","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-aminoquinoline-2-carboxylic acid monohydrate","4-aminoquinoline-2-carboxylic acid monohydrate","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C40 H40 N8 O12 -","4","1","FR1021","Burd, Craig J.; Dobson, Allison J.; Gerkin, Roger E.","α and β Phases of 4-Aminoquinoline-2-carboxylic Acid Monohydrate","Acta Crystallographica Section C","1997","53","5","602","605","10.1107/S0108270197000565","","","0.71073","MoKα","","","0.045","","","0.054","","","","","1.67","1.67","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006118","10.839","0.002","13.519","0.003","18.939","0.004","90","","90","","90","","2775.2","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-Styrylsilatrane","E-1-(2-phenylethenyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane","","- C14 H19 N O3 Si -","- C14 H19 N O3 Si -","- C112 H152 N8 O24 Si8 -","8","1","FR1023","Stradiotto, Mark; Crowe, Grant; Ruffolo, Ralph; Brook, Michael A.","1-Styrylsilatrane","Acta Crystallographica Section C","1997","53","5","637","639","10.1107/S0108270197000310","","","0.56086","AgKα","","0.2333","0.0554","","0.1305","0.0879","","","","0.761","1.089","1.089","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006119","12.148","0.002","20.749","0.003","13.026","0.002","90","","113.68","0.01","90","","3006.9","0.8","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis-nitrilotriacet-N-amide : lead (II) nitrate","","- C18 H36 N10 O12 Pb -","- C18 H36 N10 O12 Pb -","- C72 H144 N40 O48 Pb4 -","4","1","FR1025","Skrzypczak-Jankun, Ewa","2:1 Complex of <i>N</i>,<i>N</i>',<i>N</i>''-Trimethylnitrilotriacetamide and Pb(NO~3~)~2~","Acta Crystallographica Section C","1997","53","5","579","581","10.1107/S0108270197000693","","","0.71073","MoKα","","","0.028","","","0.035","","","","","1.114","1.114","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2006120","16.353","0.009","30.264","0.009","8.461","0.008","90","","90","","90","","4187","5","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(7,9-Diphenylcyclopenta[a]acenaphtadien-6b-yl)ethylbromide","","- C29 H21 Br -","- C29 H21 Br -","- C232 H168 Br8 -","8","1","HA1185","Gerhard Jany; Marina Gustafsson; Timo Repo; Martti Klinga; Markku Leskelä","2-(7,9-Diphenylcyclopenta[<i>a</i>]acenaphthadien-6b-yl)ethylbromide","Acta Crystallographica Section C","1997","53","5","644","646","10.1107/S0108270197000632","","","0.71073","MoKα","","0.129","0.0712","","0.2757","0.1871","","","","1.119","1.188","1.188","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006121","14.133","0.002","8.642","0.002","8.7698","0.0011","90","","93.89","0.03","90","","1068.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-(Dimethylamino)-8-methyl-2-quinolone","5-(Dimethylamino)-8-methyl-2-quinolone","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","1","JZ1147","Sudha, L.; Subramanian, K.; Steiner, Thomas; Koellner, Gertraud; Ramakrishnan, V. T. R.; Sriraghavan, K.","5-Dimethylamino-8-methyl-2-quinolone","Acta Crystallographica Section C","1997","53","5","606","607","10.1107/S0108270196010621","","","1.54176","CuKα","","0.0572","0.0446","","0.127","0.1222","","","","1.095","1.197","1.197","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006122","9.556","0.003","18.257","0.003","18.629","0.003","90","","90","","90","","3250.1","1.3","293","2","293","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","","3-Acetamido-4-N-cyclooctylaminonitrobenzene","","- C16 H23 N3 O3 -","- C16 H23 N3 O3 -","- C128 H184 N24 O24 -","8","2","KA1198","González-Platas, J.; Ruiz-Pérez, C.; Torres, M.; Yanes, C.","3-Acetamido-4-(cyclooctylamino)nitrobenzene","Acta Crystallographica Section C","1997","53","5","651","654","10.1107/S0108270196007202","","","0.71069","MoKα","","0.1577","0.0639","","0.2117","0.157","","","","1.034","1.157","1.157","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006123","9.32","0.002","9.9726","0.0014","17.203","0.004","90","","104.831","0.015","90","","1545.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-thienylpyridin)platin(II)","","- C18 H12 N2 Pt S2 -","- C18 H12 N2 Pt S2 -","- C72 H48 N8 Pt4 S8 -","4","1","KA1218","Breu, Josef; Range, Klaus-Jürgen; von Zelewsky, Alex; Yersin, Hartmut","Arene‒Arene Stacking in <i>cis</i>-Bis[2-(2-thienyl-<i>C</i>^3^)pyridine-<i>N</i>]platinum(II)","Acta Crystallographica Section C","1997","53","5","562","565","10.1107/S0108270196015053","","","0.71069","MoKα","","0.0298","0.0265","","0.0728","0.0714","","","","1.072","1.118","1.118","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006124","9.276","0.006","9.879","0.006","22.499","0.013","92.54","0.04","95.08","0.04","102.67","0.04","1999","2","291","1","291","1","","","","","","","","4","P -1","-P 1","2","","Bis[2-(triphenylsilyl)phenyl] Disulphide","","- C48 H38 S2 Si2 -","- C48 H38 S2 Si2 -","- C96 H76 S4 Si4 -","2","1","KA1224","Miller, John R.; Lu, Canzhong; Zheng, Yifan","Bis[2-(triphenylsilyl)phenyl] Disulfide","Acta Crystallographica Section C","1997","53","5","654","655","10.1107/S0108270197001662","","","0.71073","MoKα","","0.0677","0.0375","","0.1172","0.1018","","","","1.01","1.041","1.041","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006125","11.198","0.002","8.836","0.006","25.795","0.007","90","","98.34","0.02","90","","2525.3","1.9","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 Cl2 N4 O9 -","- C16 H40 Cl2 N4 O9 -","- C64 H160 Cl8 N16 O36 -","4","1","KH1117","Hu, Huai-Ming; Sun, Hong-Sui; Huang, Xiao-Ying; Chen, Xiao-Hua; Liu, Yonyjiang; You, Xiao-Zeng","<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane Dihydroperchlorate Monohydrate","Acta Crystallographica Section C","1997","53","5","588","590","10.1107/S0108270196014667","","","0.71073","MoKα","","","0.061","","","0.07","","","","","1.76","1.76","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2006126","11.792","0.001","15.799","0.001","20.925","0.002","105.31","0.01","96.27","0.001","106.17","0.01","3540.3","0.6","289","2","289","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H82 N4 Na2 O20 S4 -","- C65 H82 N4 Na2 O20 S4 -","- C130 H164 N8 Na4 O40 S8 -","2","1","KH1122","Long, De-Liang; Jin, Qun-Hua; Xin, Xin-Quan; Yu, Kai-bei","Bis(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-pentaoxabenzo[<i>b</i>]cyclopentadecene-<i>O</i>^1^,<i>O</i>^4^,<i>O</i>^7^,<i>O</i>^10^,<i>O</i>^13^)sodium(1+) 1,1,7,7-Tetracyano-3,5-dithiahepta-1,6-diene-2,6-dithiolate(2 ‒) (2/1)","Acta Crystallographica Section C","1997","53","5","554","556","10.1107/S010827019601517X","","","0.71073","MoKα","","0.0914","0.0521","","0.1494","0.1368","","","","0.954","1.193","1.193","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006127","10.085","0.002","19.66","0.002","13.096","0.002","90","","96.683","0.008","90","","2578.9","0.7","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua(p-chlorophenyl)diphenyl-N-phthaloylglycinatotin","","- C28 H22 Cl N O5 Sn -","- C28 H22.01 Cl1.01 N O5 Sn -","- C112 H88.04 Cl4.04 N4 O20 Sn4 -","4","1","KH1124","Lo, Kong Mun; Ng, Seik Weng; Kumar Das, V. G.","Aqua(<i>p</i>-chlorophenyl)diphenyl(<i>N</i>-phthaloylglycinato)tin(IV)","Acta Crystallographica Section C","1997","53","5","545","546","10.1107/S0108270196014837","","","0.71073","MoKα","","0.0501","0.0342","","0.0878","0.083","","","","1.031","1.114","1.114","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006128","11.003","0.001","13.3701","0.0009","18.408","0.002","90","","96.734","0.005","90","","2689.3","0.4","298","2","2980","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tricyclohexyl-N-phthaloylglycinatotin","","- C28 H39 N O4 Sn -","- C28 H39 N O4 Sn -","- C112 H156 N4 O16 Sn4 -","4","1","KH1125","Ng, Seik Weng; Kumar Das, V. G.","Tricyclohexyl(<i>N</i>-phthaloylglycinato)tin(IV)","Acta Crystallographica Section C","1997","53","5","546","548","10.1107/S0108270196014849","","","0.71073","MoKα","","0.0706","0.0446","","0.0942","0.0862","","","","0.98","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006129","9.3375","0.0008","10.0667","0.0009","17.456","0.002","79.866","0.009","81.874","0.009","62.776","0.007","1432.8","0.3","300","","300","","","","","","","","","6","P -1","-P 1","2","","Tricyclohexyltin N,N-diethyldithiocarbamoylacetate","","- C25 H45 N O2 S2 Sn -","- C25 H45 N O2 S2 Sn -","- C50 H90 N2 O4 S4 Sn2 -","2","1","KH1130","Ng, Seik Weng; Kumar Das, V. G.","Tricyclohexyl[(<i>N</i>,<i>N</i>-diethylthiocarbamoylthio)acetato-<i>O</i>]tin(IV)","Acta Crystallographica Section C","1997","53","5","548","549","10.1107/S010827019601493X","","","0.71073","MoKα","","0.0444","0.0375","","0.1115","0.1058","","","","1.166","1.182","1.182","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006130","10.5774","0.0004","7.0688","0.0003","25.62","0.001","90","","90","","90","","1915.6","0.13","300","","300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Sulfobenzoic acid hydrate","Hydronium hydrogen 2-sulfobenzoate","","- C7 H8 O6 S -","- C7 H8 O6 S -","- C56 H64 O48 S8 -","8","1","KH1131","Ng, Seik Weng","Hydronium 2-Carboxybenzenesulfonate","Acta Crystallographica Section C","1997","53","5","633","634","10.1107/S0108270196015326","","","0.71073","MoKα","","0.0488","0.0393","","0.1121","0.1057","","","","1.032","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006131","5.795","0.004","9.059","0.004","16.081","0.007","84.24","0.04","84.2","0.04","77.85","0.05","818.3","0.8","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 O2 S4 Sb -","- C12 H15 O2 S4 Sb -","- C24 H30 O4 S8 Sb2 -","2","1","MU1305","Blake, Alexander J.; Pearson, Matthew; Sowerby, D. Bryan; Woodhead, Peter P.","Bis(ethylxanthato)phenylantimony(III)","Acta Crystallographica Section C","1997","53","5","583","585","10.1107/S0108270197000620","","","0.71073","MoKα","","0.0225","0.019","","0.0417","0.0392","","","","1.144","1.118","1.118","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006132","8.7641","0.0004","26.785","0.002","12.5316","0.0007","90","","104.412","0.004","90","","2849.2","0.3","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","cis-4-Amino-5-chloro-N-{1-[3-(4-fluorophenoxy)propyl]- 3-methoxy-4-piperidylium}-2-methoxybenzamide tartrate","","- C27 H35 Cl F N3 O10 -","- C27 H35 Cl F N3 O10 -","- C108 H140 Cl4 F4 N12 O40 -","4","2","NA1275","Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter","Absolute Configuration of the Double Salt of <i>cis</i>-4-Amino-5-chloro-<i>N</i>-{1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-1-ium-4-yl}-2-methoxybenzamide Tartrate (Cisapride Tartrate)","Acta Crystallographica Section C","1997","53","5","597","599","10.1107/S0108270196015181","","","1.54184","CuKα","","0.0511","0.0415","","0.1092","0.1092","","","","1.032","1.032","1.032","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006133","9.405","0.002","10.195","0.003","20.783","0.006","89.05","0.02","78.86","0.02","79.87","0.02","1924.4","0.9","294","","294","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H25 Cl3 Cu2 N8 O12 -","- C33 H25 Cl3 Cu2 N8 O12 -","- C66 H50 Cl6 Cu4 N16 O24 -","2","1","NA1277","Bulach, Véronique; Duval, Hugues; Fischer, Jean; Weiss, Raymond","μ-Cyano-bis(2,2':6',2''-terpyridine-<i>N</i>,<i>N</i>',<i>N</i>'')dicopper(II) Perchlorate Acetonitrile, [Cu~2~(CN)(C~15~H~11~N~3~)~2~](ClO~4~)~3~.CH~3~CN","Acta Crystallographica Section C","1997","53","5","543","545","10.1107/S0108270196015570","","","0.71073","MoKα","","0.143","0.049","","0.116","0.07","","","","2.29","1.361","1.361","","","","","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",""
"2006135","9.966","0.002","10.794","0.002","8.171","0.002","98.03","0.02","111.46","0.02","106.98","0.02","751.8","0.3","297","","299","","","","","","","","","3","P -1","-P 1","2","","7-acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","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","","","0.0537","","","0.047","","","","","1","1","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2006136","8.115","0.002","17.959","0.002","9.034","0.002","90","","94.71","0.02","90","","1312.1","0.5","298","","299","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,13-dihydroxy-13-methyltetracyclo[9.3.0.0^2,6^]tetradec-2-ene-4,9-dione","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","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","","","0.0564","","","0.0538","","","","","1.24","1.24","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006137","8.689","0.002","13.862","0.002","5.96","0.001","94.12","0.01","100.47","0.01","107.7","0.01","666.3","0.2","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C32 H44 O4 -","2","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","","","0.0439","","","0.0406","","","","","0.969","0.969","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2006138","6.159","0.002","8.332","0.003","23.306","0.002","90","","90.93","0.02","90","","1195.8","0.6","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-o-stilbenecarboxylic acid","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","OA1018","Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki","(<i>E</i>)-<i>o</i>-Stilbenecarboxylic Acid and its <i>p</i>-Methyl, Chloro and Methoxy Derivatives","Acta Crystallographica Section C","1997","53","5","620","624","10.1107/S0108270196015673","","","0.71073","MoKα","","","0.0468","","","0.0422","","","","","1.24","1.24","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006139","7.138","0.002","12.036","0.002","14.874","0.002","90","","91.74","0.02","90","","1277.3","0.5","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","p-methyl-(E)-o-stilbenecarboxylic acid","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","OA1018","Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki","(<i>E</i>)-<i>o</i>-Stilbenecarboxylic Acid and its <i>p</i>-Methyl, Chloro and Methoxy Derivatives","Acta Crystallographica Section C","1997","53","5","620","624","10.1107/S0108270196015673","","","0.71073","MoKα","","","0.0456","","","0.051","","","","","1.2","1.2","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006140","12.977","0.005","8.023","0.004","25.171","0.003","90","","103.56","0.02","90","","2547.6","1.6","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","p-chloro-(E)-o-stilbenecarboxylic acid","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C120 H88 Cl8 O16 -","8","2","OA1018","Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki","(<i>E</i>)-<i>o</i>-Stilbenecarboxylic Acid and its <i>p</i>-Methyl, Chloro and Methoxy Derivatives","Acta Crystallographica Section C","1997","53","5","620","624","10.1107/S0108270196015673","","","0.71073","MoKα","","","0.0505","","","0.0452","","","","","1.23","1.23","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006141","11.361","0.002","5.066","0.003","22.71","0.002","90","","98.45","0.01","90","","1292.9","0.8","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","p-chloro-(E)-o-stilbenecarboxylic acid","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C60 H44 Cl4 O8 -","4","1","OA1018","Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki","(<i>E</i>)-<i>o</i>-Stilbenecarboxylic Acid and its <i>p</i>-Methyl, Chloro and Methoxy Derivatives","Acta Crystallographica Section C","1997","53","5","620","624","10.1107/S0108270196015673","","","0.71073","MoKα","","","0.0699","","","0.0531","","","","","1.25","1.25","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006142","11.28","0.002","5.273","0.002","22.462","0.002","90","","103","0.01","90","","1301.8","0.6","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","p-methoxy-(E)-o-stilbenecarboxylic acid","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","OA1018","Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki","(<i>E</i>)-<i>o</i>-Stilbenecarboxylic Acid and its <i>p</i>-Methyl, Chloro and Methoxy Derivatives","Acta Crystallographica Section C","1997","53","5","620","624","10.1107/S0108270196015673","","","0.71073","MoKα","","","0.0512","","","0.0463","","","","","1.14","1.14","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006143","6.0178","0.0006","28.449","0.003","8.0272","0.0009","90","","90","","90","","1374.3","0.3","294","1","294","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-Phenyldibenzophosphole","","- C18 H13 P -","- C18 H13 P -","- C72 H52 P4 -","4","1","QA0001","Meehan, Paul R.; Alyea, Elmer C.; Ferguson, George","5-Phenyldibenzophosphole, Polymorph 2","Acta Crystallographica Section C","1997","53","5","IUC9700001","","10.1107/S0108270197099526","","","0.7107","MolybdenumKα","","0.0909","0.0495","","0.1473","","0.1297","","","0.971","","","1.09","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006144","6.1276","0.0007","12.1791","0.0012","8.9973","0.0012","90","","105.07","0.01","90","","648.36","0.13","294","1","294","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Potassium Hexaaquanickel(II)/Hexaaquairon(II)(0.93/0.07) Sulfate","","- Fe0.07 H12 K2 Ni0.93 O14 S2 -","- Fe0.07 H12 K2 Ni0.93 O14 S2 -","- Fe0.14 H24 K4 Ni1.86 O28 S4 -","2","0.5","QA0002","Ferguson, George; Spalding, Trevor R.; Herlihy, Emmet A.","Dipotassium Hexaaquairon(II) Bis(sulfate)‒Dipotassium Hexaaquanickel(II) Bis(sulfate) (0.07/0.93)","Acta Crystallographica Section C","1997","53","5","IUC9700002","","10.1107/S010827019709954X","","","0.7107","MolybdenumKα","","0.022","0.0204","","0.0572","","0.0567","","","1.176","","","1.197","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006145","8.54","0.0011","5.2249","0.0014","10.2686","0.0008","90","","97.191","0.008","90","","454.59","0.14","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(2-deoxy-α-L-erythro-pentopyranosyl) 1-(S),2-(S), 4-triazolidine-3,5-dione","","- C7 H11 N3 O5 -","- C7 H11 N3 O5 -","- C14 H22 N6 O10 -","2","1","QB0001","Robinson, Paul D.; Kolb, Vera M.; Colloton, Patricia A.; Meyers, Cal Y.","First Example of a Crystalline Urazole Nucleoside with an <small>L</small>-Configured Sugar. (1<i>S</i>,2<i>S</i>)-Urazole α-<small>L</small>-Pyranosyl-2-deoxyriboside","Acta Crystallographica Section C","1997","53","5","IUC9700003","","10.1107/S0108270197099514","","","0.71069","MoKα","","0.0526","0.0341","","0.1019","","0.0914","","","1.042","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006146","8.804","0.002","14.208","0.001","13.931","0.001","90","","103.57","0.01","90","","1693.9","0.4","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2-(2-pyridyl)-4,4,5,5-tetramethyl-4,5-dihydro-[H-imidazolyl-1-oxy 3-oxide)dichlorocopper(II) Bis(methylene chloride) Solvate","","- C26 H36 Cl6 Cu N6 O4 -","- C26 H36 Cl6 Cu N6 O4 -","- C52 H72 Cl12 Cu2 N12 O8 -","2","0.5","QB0002","Ohba, Shigeru; Kato, Takanari; Yoshioka, Naoki; Inoue, Hidenari","Dichlorobis[4,4,5,5-tetramethyl-2-(2-pyridyl)-4,5-dihydro-1<i>H</i>-imidazol-1-yloxy 3-oxide]copper(II) Bis(dichloromethane) Solvate","Acta Crystallographica Section C","1997","53","5","IUC9700004","","10.1107/S0108270197099538","","","0.71073","MoKα","","","0.0417","","","0.0374","","","","","1.18","1.18","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006147","8.94","0.003","14.259","0.004","25.929","0.007","90","","90","","90","","3305.3","1.7","158","2","158","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,3-Dimethyl-1,8,11-triaza-5-azoniumcyclotridecane Perchlorate Water.","","- C11 H29 Cl N4 O5 -","- C11 H29 Cl N4 O5 -","- C88 H232 Cl8 N32 O40 -","8","1","SK1026","Gladkikh, Olga P.; Curtis, Neil F.; Turnbull, Mark M.","A 13-Membered Cyclic Tetraamine Salt: 12,12-Dimethyl-4,7,10-triaza-1-azoniacyclotridecane Perchlorate Hydrate","Acta Crystallographica Section C","1997","53","5","586","587","10.1107/S0108270196015193","","","0.71073","MoKα","","0.0777","0.0468","","0.1115","0.1039","","","","0.878","1.067","1.067","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006148","13.798","0.005","20.533","0.009","13.85","0.006","90","","104.5","0.03","90","","3799","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(triphenylphospine)1,1,2,3,3-pentacyanpropenide copper(I)","","- C88 H60 Cu2 N10 P4 -","- C88 H60 Cu2 N10 P4 -","- C176 H120 Cu4 N20 P8 -","2","0.5","SK1037","Dvorský, Andrej; Kožíšek, Jozef; Jäger, Lothar; Tretner, Carola","Bis[(1,1,2,3,3-pentacyanopropenido-<i>N</i>^1^:<i>N</i>^2^)bis(triphenylphosphine-<i>P</i>)copper(I)]","Acta Crystallographica Section C","1997","53","5","556","559","10.1107/S0108270196015211","","","0.71073","MoKα","","0.1307","0.0436","","0.1034","0.0815","","","","0.907","1.074","1.074","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006149","6.811","0.002","11.079","0.002","14.907","0.002","91.82","0.03","96.53","0.03","105.41","0.03","1075.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N2 O4 S -","- C23 H22 N2 O4 S -","- C46 H44 N4 O8 S2 -","2","1","SK1039","Işık, Şamil; Aygün, Muhittin; Şaşmaz, Selami; Kendi, Engin; Büyükgüngör, Orhan; Erdönmez, Ahmet","5-Allyl-3-methoxy-2-(<i>p</i>-tolylsulfonyloxy)azobenzene","Acta Crystallographica Section C","1997","53","5","593","594","10.1107/S0108270196011596","","","0.71069","MoKα","","0.0534","0.044","","0.1234","0.117","","","","1.063","1.092","1.092","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006150","7.812","0.001","12","0.001","17.161","0.001","78.92","0.02","84.32","0.02","72.23","0.02","1502","0.3","293","3","293","3","","","","","","","","5","P -1","-P 1","2","","1:1:1 methanol . [2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine] . [4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzene-sulfonamide]","","- C27 H36 N8 O6 S -","- C27 H36 N8 O6 S -","- C54 H72 N16 O12 S2 -","2","1","SK1047","Bettinetti, Giampiero; Sardone, Nicola","Methanol Solvate of the 1:1 Molecular Complex of Trimethoprim and Sulfadimidine","Acta Crystallographica Section C","1997","53","5","594","597","10.1107/S0108270196014783","","","1.54184","CuKα","","0.044","0.042","","","0.041","","","","","0.632","0.632","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006151","15.543","0.002","14.025","0.001","14.676","0.005","90","","112.42","0.02","90","","2957.4","1.2","292","","292","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Hexakis(Thiourea)cadmium perrhenate monohydrate","","- C6 H26 Cd N12 O9 Re2 S6 -","- C6 H26 Cd N12 O9 Re2 S6 -","- C24 H104 Cd4 N48 O36 Re8 S24 -","4","0.5","SK1053","Rosica Petrova; Olyana Angelova; Josef Macíček","Molecular Adducts of Inorganic Salts. VII. Cadmium Tetraoxorhenium Hexakis(thiourea) Hydrate","Acta Crystallographica Section C","1997","53","5","565","568","10.1107/S0108270196015107","","","0.71073","MoKα","","0.068","0.032","","0.035","0.035","","","","1.264","1.286","1.286","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006152","10.338","0.002","8.687","0.002","10.756","0.002","90","","95.05","0.01","90","","962.2","0.3","290","","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","SK1068","Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.","Pentaamminenitrocobalt(III) Dichloride and Dibromide at 290K and 150K","Acta Crystallographica Section C","1997","53","5","523","526","10.1107/S0108270196014205","","","0.71073","MoKα","","0.0208","0.0175","","0.0479","0.0464","","","","0.984","0.994","0.994","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006153","10.215","0.003","8.697","0.004","10.748","0.003","90","","95.41","0.02","90","","950.6","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","SK1068","Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.","Pentaamminenitrocobalt(III) Dichloride and Dibromide at 290K and 150K","Acta Crystallographica Section C","1997","53","5","523","526","10.1107/S0108270196014205","","","0.71073","MoKα","","0.0174","0.0152","","0.0379","0.0372","","","","1.106","1.124","1.124","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006154","10.68","0.003","8.838","0.004","10.99","0.003","90","","94.7","0.02","90","","1033.9","0.6","290","","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) bromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","SK1068","Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.","Pentaamminenitrocobalt(III) Dichloride and Dibromide at 290K and 150K","Acta Crystallographica Section C","1997","53","5","523","526","10.1107/S0108270196014205","","","0.71073","MoKα","","0.0395","0.0214","","0.0522","0.049","","","","1.036","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006155","10.575","0.002","8.815","0.005","10.97","0.002","90","","94.97","0.02","90","","1018.8","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) bromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","SK1068","Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.","Pentaamminenitrocobalt(III) Dichloride and Dibromide at 290K and 150K","Acta Crystallographica Section C","1997","53","5","523","526","10.1107/S0108270196014205","","","0.71073","MoKα","","0.0294","0.0188","","0.0485","0.0465","","","","1.1","1.156","1.156","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006156","12.736","0.005","12.911","0.002","9.805","0.002","102.62","0.01","100.02","0.02","71.58","0.02","1483.1","0.7","294","","294","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H28 Cu F6 N4 O8 S2 -","- C23 H28 Cu F6 N4 O8 S2 -","- C46 H56 Cu2 F12 N8 O16 S4 -","2","1","SK1069","Alilou, El Houssine; El Hallaoui, Abdelilah; El Ghadraoui, El Houssine; Giorgi, Michel; Pierrot, Marcel; Réglier, Marius","Two TEPA‒Copper(II) Complexes {TEPA is Tris[2-(2-pyridyl)ethyl]amine}","Acta Crystallographica Section C","1997","53","5","559","562","10.1107/S0108270196015223","","","0.71073","MoKα","","0.137","0.05","","","0.05","","","","","1.319","1.319","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006157","18.168","0.002","7.867","0.002","21.908","0.003","90","","125.58","0.04","90","","2546.7","1.5","294","","294","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cu F6 N4 O2 P -","- C23 H27 Cu F6 N4 O2 P -","- C92 H108 Cu4 F24 N16 O8 P4 -","4","1","SK1069","Alilou, El Houssine; El Hallaoui, Abdelilah; El Ghadraoui, El Houssine; Giorgi, Michel; Pierrot, Marcel; Réglier, Marius","Two TEPA‒Copper(II) Complexes {TEPA is Tris[2-(2-pyridyl)ethyl]amine}","Acta Crystallographica Section C","1997","53","5","559","562","10.1107/S0108270196015223","","","0.71073","MoKα","","0.081","0.075","","","0.098","","","","","3.208","3.208","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2006158","14.814","0.003","9.623","0.002","7.309","0.002","90","","90","","90","","1041.9","0.4","290","","290","","","","","","","","","5","P n a m","-P 2c 2n","62","","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","SK1070","Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.","Pentaamminenitrocobalt(III) Chloride Nitrate at 290K and 150K","Acta Crystallographica Section C","1997","53","5","526","528","10.1107/S0108270196014217","","","0.71073","MoKα","","0.0407","0.024","","0.0674","0.0623","","","","0.993","1.051","1.051","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006159","14.726","0.005","9.646","0.007","7.219","0.003","90","","90","","90","","1025.4","0.9","150","","150","","","","","","","","","5","P n a m","-P 2c 2n","62","","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","SK1070","Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.","Pentaamminenitrocobalt(III) Chloride Nitrate at 290K and 150K","Acta Crystallographica Section C","1997","53","5","526","528","10.1107/S0108270196014217","","","0.71073","MoKα","","0.0374","0.0233","","0.0619","0.057","","","","1.042","1.089","1.089","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006160","9.7232","0.0011","9.2506","0.0013","10.6178","0.0013","90","","90","","90","","955","0.2","130","1","130","1","","","","","","","","5","P n a 21","P 2c -2n","33","","N-butylthiophen-3-carboxamide","","- C9 H13 N O S -","- C9 H13 N O S -","- C36 H52 N4 O4 S4 -","4","1","SK1076","Gable, Robert W.; Laws, Melissa J.; Schiesser, Carl H.","<i>N</i>-Butylthiophene-3-carboxamide and 2-Benzylseleno-<i>N</i>-butylthiophene-3-carboxamide at 130K","Acta Crystallographica Section C","1997","53","5","641","644","10.1107/S0108270196015788","","","1.5418","CuKα(nickelfiltered)","","0.0363","0.036","","0.1045","0.1042","","","","1.072","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006161","8.4701","0.0009","21.624","0.002","9.34","0.0009","90","","114.497","0.008","90","","1556.7","0.3","130","1","130","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-benzylseleno-N-butylthiophen-3-carboxamide","","- C16 H19 N O S Se -","- C16 H19 N O S Se -","- C64 H76 N4 O4 S4 Se4 -","4","1","SK1076","Gable, Robert W.; Laws, Melissa J.; Schiesser, Carl H.","<i>N</i>-Butylthiophene-3-carboxamide and 2-Benzylseleno-<i>N</i>-butylthiophene-3-carboxamide at 130K","Acta Crystallographica Section C","1997","53","5","641","644","10.1107/S0108270196015788","","","1.5418","CuKα(nickelfiltered)","","0.0303","0.0293","","0.0777","0.0771","","","","1.169","1.176","1.176","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006162","8.467","0.002","11.154","0.002","9.654","0.002","90","","92.24","0.02","90","","911","0.3","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","1α,5α-Dihydroxymanoyl oxide","","- C20 H34 O3 -","- C20 H34 O3 -","- C40 H68 O6 -","2","1","SX1001","Manríquez, V.; Labbé, C.; Castillo, M.; Wittke, O.","1α,5α-Dihydroxymanoyl Oxide, a Novel Diterpene from <i>Satureja gilliesii</i>","Acta Crystallographica Section C","1997","53","5","624","626","10.1107/S0108270197000048","","","0.71073","MoKα","","0.0487","0.038","","0.0441","0.0423","","","","","1.24","1.24","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006163","10.356","0.002","15.35","0.003","13.394","0.003","90","","96.38","0.04","90","","2116","0.8","293","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H17 N5 O11 -","- C20 H17 N5 O11 -","- C80 H68 N20 O44 -","4","1","TA1106","In, Yasuko; Nagata, Hiroomi; Doi, Mitsunobu; Ishida, Toshimasa; Wakahara, Akio","Anthranilic Acid‒Picric Acid (2/1) Complex","Acta Crystallographica Section C","1997","53","5","646","648","10.1107/S0108270196011262","","","1.5418","CuKα","","","0.059","","","0.067","","","","","1.7187","1.7187","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006164","7.405","0.002","18.481","0.002","8.1246","0.0009","90","","111.14","0.01","90","","1037","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(n-butyl)-3,4-dibromomaleimide","","- C8 H9 Br2 N O2 -","- C8 H9 Br2 N O2 -","- C32 H36 Br8 N4 O8 -","4","1","TA1129","Chen, Wei; Yang, Jia-xiang; Bai, Zhi-ping; Wang Zou-xiang; You Xiao-zeng","<i>N</i>-(<i>n</i>-Butyl)-3,4-dibromomaleimide","Acta Crystallographica Section C","1997","53","5","631","633","10.1107/S0108270197000024","","","0.71073","MoKα","","0.0713","0.0456","","0.1095","0.0983","","","","1.092","1.15","1.15","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006165","11.857","0.006","3.66","0.002","10.909","0.006","90","","100.43","0.04","90","","465.6","0.4","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","","","","","- Li2 O13 V6 -","- Li2 O13 V6 -","- Li4 O26 V12 -","2","0.25","TA1132","Bergström, Örjan; Gustafsson, Torbjörn; Thomas, John O.","Electrochemically Lithiated Vanadium Oxide, Li~2~V~6~O~13~","Acta Crystallographica Section C","1997","53","5","528","530","10.1107/S0108270196015235","","","0.7107","MolybdenumKα","","0.04","0.04","","0.055","0.055","","","","2.69","2.69","2.69","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006166","12.333","0.002","7.146","0.001","10.885","0.001","90","","111.57","0.01","90","","892.1","0.2","293","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- O3 Si Sr -","- O3 Si Sr -","- O36 Si12 Sr12 -","12","1.5","TA1133","Nishi, Fumito","Strontium Metasilicate, SrSiO~3~","Acta Crystallographica Section C","1997","53","5","534","536","10.1107/S0108270196015338","","","0.71073","MoKα","","","0.056","","","0.067","","","","","1.34","1.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006167","9.844","0.007","3.901","0.003","17.245","0.015","90","","93.17","0.06","90","","661.2","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","MTNPH","5-methylthiophenecarboxaldehyde-4-nitrophenylhydrazone monohydrate","","- C12 H13 N3 O3 S -","- C12 H13 N3 O3 S -","- C24 H26 N6 O6 S2 -","2","1","AB1423","Wong, Man Shing; Gramlich, Volker; Pan, Feng; Bosshard, Christian; Günter, Peter","5-Methylthiophene-2-carboxaldehyde 4-Nitrophenylhydrazone‒Water (1/1)","Acta Crystallographica Section C","1997","53","6","757","759","10.1107/S0108270197002552","","","0.71073","MoKα","","0.0943","0.0385","","0.0815","0.0748","","","","0.674","0.996","0.996","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006168","12.231","0.002","13.643","0.003","7.733","0.003","90","","90","","90","","1290.4","0.6","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","AB1426","Kennedy, Alan R.; Khalaf, Abedawn I.","<i>N</i>,<i>N</i>-Diacetyl-2,5-dimethyl-6-nitroaniline","Acta Crystallographica Section C","1997","53","6","744","746","10.1107/S0108270197002564","","","0.71069","MoKα","","0.1372","0.0682","","0.0537","0.0456","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006169","7.473","0.0011","8.286","0.0011","17.527","0.002","90","","90","","90","","1085.3","0.2","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Benzo[b]thien-2-yl-5,6-dihydro-1,4,2-oxathiazine, 4-oxide","","- C11 H9 N O2 S2 -","- C11 H9 N O2 S2 -","- C44 H36 N4 O8 S8 -","4","1","AB1427","Gallagher, John F.; Ferguson, George; Brouwer, Walter G.","3-(Benzo[<i>b</i>]thien-2-yl)-5,6-dihydro-1,4,2-oxathiazine 4-Oxide","Acta Crystallographica Section C","1997","53","6","823","825","10.1107/S0108270196014539","","","0.7107","MolybdenumKα","","0.0307","0.0257","","0.0732","0.0714","","","","1.06","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006170","11.065","0.001","5.614","0.002","24.225","0.002","90","","90.728","0.006","90","","1504.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-chlorobenzyl)-2-(1H-imidazol-1-ylmethyl)aniline","","- C17 H16 Cl N3 -","- C17 H16 Cl N3 -","- C68 H64 Cl4 N12 -","4","1","AB1428","Ettorre, Alessandro; Biava, Mariangela; Fioravanti, Rossella; Porretta, Giulio Cesare","The Antifungal Agent 1-[2-(4-Chlorobenzylamino)benzyl]-1<i>H</i>-imidazole","Acta Crystallographica Section C","1997","53","6","761","762","10.1107/S0108270197000784","","","1.54178","CuKα","","","0.0441","","0.1531","0.1531","","","","0.657","0.657","0.657","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006171","8.111","0.002","6.146","0.001","10.242","0.001","90","","103.19","0.01","90","","497.1","0.16","293","","293.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","meso-3,3'-bi(1,2,4-trithiacyclohex-5-enyl)","","","- C6 H6 S6 -","- C6 H6 S6 -","- C12 H12 S12 -","2","0.5","AB1429","Shimizu, Toshio; Iwata, Kazuko; Kondo, Mitsuru; Kitagawa, Susumu; Kamigata, Nobumasa","<i>meso</i>-3,3'-Bi(1,2,4-trithiacyclohex-5-enyl)","Acta Crystallographica Section C","1997","53","6","748","749","10.1107/S0108270197002230","","","0.7107","MoKα","","","0.0286","","","0.0345","","","","","3.901","3.901","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006172","6.1863","0.0002","12.5481","0.0004","19.8831","0.0006","90","","90","","90","","1543.45","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-leucyl-L-alanine tetrahydrate","","- C9 H26 N2 O7 -","- C9 H26 N2 O7 -","- C36 H104 N8 O28 -","4","1","AB1443","Görbitz, Carl Henrik","Cyclic Water Pentamers in <small>L</small>-Leucyl-<small>L</small>-alanine Tetrahydrate","Acta Crystallographica Section C","1997","53","6","736","739","10.1107/S0108270196015946","","","0.71073","MoKα","","0.0455","0.038","","0.0905","0.0857","","","","1.142","1.137","1.137","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006173","11.959","0.003","14.696","0.004","20.203","0.004","90","","91.54","0.02","90","","3549.4","1.5","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{7,8-μ-thiobenzate}-{7,11-μ-thiobenzate}-10-(triphenylphosphine)- nido-7-nickelaundecaborane","","- C32 H33 B10 Ni O2 P S2 -","- C32 H33 B10 Ni O2 P S2 -","- C128 H132 B40 Ni4 O8 P4 S8 -","4","1","AB1444","Dou, Jian-Min; Hu, Chun-Hua; Yao, Hai-Jun; Li, Wen; Jin, Ruo-Shui; Zheng, Pei-Ju","A Cycloboronated Nickelaundecaborane: [(PhCOS)~2~NiB~10~H~8~(PPh~3~)]","Acta Crystallographica Section C","1997","53","6","693","695","10.1107/S0108270197002242","","","0.71073","MoKα","","0.0639","0.0321","","0.106","0.0857","","","","1.065","1.042","1.042","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006174","11.043","0.005","15.524","0.003","23.016","0.003","90","0.02","91.28","0.02","90","0.03","3945","2","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2,7-μ-thiobenzoate}-{3,7-μ-thiobenzoate}-7-(triphenyl-phosphine)-nido- 7-nickelaundecaborane","","- C36 H42 B10 Ni O2 P S2 -","- C35 H35 B10 Ni O2 P S2 -","- C140 H140 B40 Ni4 O8 P4 S8 -","4","1","AB1447","Chun-Hua Hu; Jian-Min Dou; Hai-Jun Yao; Wen Li; Ruo-Shui Jin; Pei-Ju Zheng","<i>ortho</i>-Cycloboronation of a Thiobenzoate Cluster: [(PPh~3~)(PhCṟidge{OS)_{2}NiB}{12.5mm}~10~H~10~].0.5C~6~H~14~","Acta Crystallographica Section C","1997","53","6","695","697","10.1107/S0108270197002254","","","0.71073","MoKα","","0.074","0.0428","","0.1578","0.1253","","","","0.986","0.936","0.936","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006175","9.054","0.005","11.467","0.004","8.512","0.003","110.66","0.03","109.01","0.04","76.51","0.04","774.8","0.6","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","N-acridinium-9-yl-N'-propylidenehydrazine thiocyanate","","- C17 H16 N4 S -","- C17 H16 N4 S -","- C34 H32 N8 S2 -","2","1","AB1449","Linden, Anthony; Guspanová, Jana; Bernát, Juraj; Kristian, Pavol","9-Propylidenehydrazino-10-acridinium Thiocyanate at 173K","Acta Crystallographica Section C","1997","53","6","732","734","10.1107/S010827019700108X","","","0.71069","MoKα","","0.0923","0.0524","","0.0556","0.0526","","","","","2.145","2.145","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006176","16.178","0.002","16.178","0.002","12.462","0.003","90","","90","","90","","3261.7","1","160","2","160","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","benzyltrimethylammonium tetramethoxyborate","","- C14 H28 B N O4 -","- C14 H28 B N O4 -","- C112 H224 B8 N8 O32 -","8","1","AB1461","Clegg, William; Errington, R. John; Carmalt, Claire J.","Benzyltrimethylammonium Tetramethoxoborate","Acta Crystallographica Section C","1997","53","6","751","753","10.1107/S0108270197003508","","","0.71073","MoKα","","0.0898","0.0496","","0.1423","0.1125","","","","1.033","1.009","1.009","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006177","10.969","0.002","20.492","0.004","11.637","0.002","90","","99.13","0.01","90","","2582.6","0.8","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorobis(1,10-phenanthroline-N1,N10)cobalt(II) Acetonitrile sesquisolvate","","- C27 H20.5 Cl2 Co N5.5 -","- C27 H16 Cl2 Co N5.5 -","- C108 H64 Cl8 Co4 N22 -","4","1","AB1462","Alan Hazell; John McGinley; Christine J. McKenzie","Dichlorobis(1,10-phenanthroline-<i>N</i>,<i>N</i>')cobalt(II)‒Acetonitrile (1/1.5)","Acta Crystallographica Section C","1997","53","6","723","725","10.1107/S0108270197004150","","","0.71073","MoKα","","","0.045","","","0.056","","","","","1.176","1.176","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006178","13.811","0.002","14.0419","0.0015","22.409","0.003","90","","97.391","0.011","90","","4309.7","1","294","1","294","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","9,12-dibromo-3,3-bis(triphenylphosphine-P)-1,2-dicarba-3-hydrido-3-rhoda- closo-dodecaborane‒dichloromethane(1/1)","","- C39 H42 B9 Br2 Cl2 P2 Rh -","- C39 H42 B9 Br2 Cl2 P2 Rh -","- C156 H168 B36 Br8 Cl8 P8 Rh4 -","4","1","AB1472","McEneaney, Patricia A.; Spalding, Trevor R.; Meehan, Paul R.; Ferguson, George","9,12-Dibromo-3,3-bis(triphenylphosphine-<i>P</i>)-1,2-dicarba-3-hydrido-3-rhoda-<i>closo</i>-dodecaborane‒Dichloromethane (1/1)","Acta Crystallographica Section C","1997","53","6","685","687","10.1107/S0108270197003715","","","0.7107","MolybdenumKα","","0.1302","0.0656","","0.1346","","0.1152","","","0.919","","","1.099","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006179","11.437","0.002","7.579","0.001","17.335","0.002","90","","95.09","0.03","90","","1496.7","0.4","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cl4 N2 O -","- C14 H8 Cl4 N2 O -","- C56 H32 Cl16 N8 O4 -","4","1","AB1474","Clegg, William; Elsegood, Mark R. J.; Jackson, Richard F. W.; Fraser, Joanne L.; Emsden, Lee J.","<i>N</i>-(2,3,5,6-Tetrachloropyrid-4-yl)cinnamide","Acta Crystallographica Section C","1997","53","6","797","799","10.1107/S0108270197004162","","","0.71073","MoKα","","0.057","0.0464","","0.1267","0.1177","","","","1.061","1.074","1.074","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006180","32.403","0.006","7.668","0.002","14.127","0.003","90","","109.2","0.03","90","","3314.8","1.4","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-Methylbenzothiazole-2(3H)-selone","","- C8 H7 N S Se -","- C8 H7 N S Se -","- C128 H112 N16 S16 Se16 -","16","2","AV1002","Husebye, Steinar; Lindeman, Sergey V.; Rudd, Martin D.","<i>N</i>-Methylbenzothiazole-2(3<i>H</i>)-selone, C~8~H~7~NSSe","Acta Crystallographica Section C","1997","53","6","809","811","10.1107/S0108270197000309","","","0.71069","MoKα","","0.0895","0.0529","","0.1648","0.1244","","","","1.091","1.085","1.085","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006181","25.372","0.001","25.372","0.001","12.726","0.002","90","","90","","90","","8192.2","1.4","183","2","183","2","","","","","","","","7","P 43","P 4cw","78","","","","- C40 H32 F12 N7 O0.5 P2 Ru -","- C40 H32 F12 N7 O0.5 P2 Ru -","- C320 H256 F96 N56 O4 P16 Ru8 -","8","2","BK1256","Maloney, David J.; MacDonnell, Frederick M.","Λ-Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')ruthenium(II) Bis(hexafluorophosphate)‒Acetonitrile‒Diethyl Ether (1/1/0.5)","Acta Crystallographica Section C","1997","53","6","705","707","10.1107/S0108270197001091","","","0.71073","MoKα","","0.01","0.063","","0.16","0.139","","","","1.04","1.07","1.07","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006182","24.612","0.002","3.8302","0.0004","8.501","0.0005","90","","90","","90","","801.38","0.12","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","Theophylline","3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","BK1284","Ebisuzaki, Yukiko; Boyle, Paul D.; Smith, Jennifer A.","Methylxanthines. I. Anhydrous Theophylline","Acta Crystallographica Section C","1997","53","6","777","779","10.1107/S0108270197001960","","","0.71073","MolybdenumKα","","0.053","0.053","","0.056","0.056","","","","","1.65","1.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006183","10.199","0.002","6.543","0.001","18.145","0.003","90","","104.77","0.01","90","","1170.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Cd N2 O3 S2 -","- C10 H8 Cd N2 O3 S2 -","- C40 H32 Cd4 N8 O12 S8 -","4","1","BK1303","Baggio, Sergio; Pardo, Maria I.; Baggio, Ricardo; Garland, Maria Teresa","(2,2'-Bipyridine-<i>N</i>,<i>N</i>')(μ-thiosulfato)cadmium(II)","Acta Crystallographica Section C","1997","53","6","727","729","10.1107/S0108270197001972","","","0.71073","MoKα","","0.0286","0.022","","0.0534","0.0506","","","","1.067","1.084","1.084","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006184","11.049","0.001","4.7982","0.0009","22.682","0.001","90","","90.108","0.006","90","","1202.5","0.3","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,8-bis(hydroxymethyl)anthracene","1,8-bis(hydroxymethyl)anthracene","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","BK1309","Aumiller, Wade D.; Gerkin, Roger E.","1,8-Bis(hydroxymethyl)anthracene","Acta Crystallographica Section C","1997","53","6","769","771","10.1107/S0108270197001108","","","0.71073","MoKα","","","0.06","","","0.06","","","","","1.67","1.67","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006185","7.4948","0.0003","11.5989","0.0006","27.147","0.003","90","","90","","90","","2359.9","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,3-benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione.H~2O. picrate complex","","- C20 H24 N6 O12 -","- C20 H24 N6 O12 -","- C80 H96 N24 O48 -","4","1","BM1115","Hundal, Geeta; Kumar, Subodh; Hundal, Maninder Singh; Singh, Harjit; Sanz-Aparicio, Julia; Martinez-Ripoll, Martin","10<i>H</i>^+^-2,3-Benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione Picrate Hydrate (1/1/1)","Acta Crystallographica Section C","1997","53","6","799","801","10.1107/S0108270196015041","","","1.5418","CuKα","","0.045","0.0399","","0.1071","0.0997","","","","1.089","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006186","9.854","0.004","6.352","0.004","19.372","0.006","90","","90.52","0.03","90","","1212.5","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","methylhexamethylenetetramine fluoride tetrahydrate","","- C7 H23 F N4 O4 -","- C7 H23 F N4 O4 -","- C28 H92 F4 N16 O16 -","4","1","BM1129","Nightingale, David J.; Cronin, Leroy; Clark, James H.","Methylhexamethylenetetramine Fluoride Tetrahydrate, MeHMTAF.4H~2~O","Acta Crystallographica Section C","1997","53","6","789","791","10.1107/S0108270197000541","","","0.71069","MoKα","","0.2852","0.0828","","0.2541","0.1769","","","","0.993","1.301","1.301","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2006187","8.648","0.004","11.561","0.008","8.189","0.004","90","","114.43","0.04","90","","745.4","0.8","220","0.2","220","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 N O -","- C9 H7 N O -","- C36 H28 N4 O4 -","4","1","BM1136","Clelland, Iain C.; McNab, Hamish; Parsons, Simon","α-Formylphenylacetonitrile in the Solid State at 220K","Acta Crystallographica Section C","1997","53","6","807","809","10.1107/S0108270197002382","","","1.54178","CuKα","","0.0454","0.0359","","0.0976","0.0922","","","","1.045","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006188","6.107","0.001","17.653","0.004","14.448","0.003","90","","94.8","0.03","90","","1552.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Chloro-penta(ammine)]cobalt(III) [(hydroxy)(nitroso)tetra(nitro)]ruthenoate","","- Cl Co H16 N10 O10 Ru -","- Cl Co H16 N10 O10 Ru -","- Cl4 Co4 H64 N40 O40 Ru4 -","4","1","BR1156","Belsky, Vitaly K.; Kokunova, Vera N.","Pentaamminechlorocobalt(III) Hydroxotetranitronitrosylruthenate(III)","Acta Crystallographica Section C","1997","53","6","659","661","10.1107/S0108270196014631","","","0.71069","MoKα","","0.0198","0.0198","","0.0557","0.0557","","","","1.088","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006189","9.091","0.001","5.231","0.001","5.57","0.001","90","","90.94","0.01","90","","264.85","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Magnesium hydrogen selenite","Magnesium bis[hydrogentrioxoselenate(IV)]","","- H2 Mg O6 Se2 -","- H2 Mg O6 Se2 -","- H4 Mg2 O12 Se4 -","2","0.5","BR1165","Boldt, Kai; Engelen, Bernward; Unterderweide, Klaus","A New Acid Selenite: Mg(HSeO~3~)~2~","Acta Crystallographica Section C","1997","53","6","666","668","10.1107/S0108270197000462","","","0.71069","MoKα","","0.0366","0.0235","","0.056","0.0547","","","","1.184","1.262","1.262","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006190","6.0341","0.0004","6.0341","0.0004","7.7888","0.0006","90","","90","","90","","283.59","0.03","295","","295","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Cr2 Cu O4 -","- Cr2 Cu O4 -","- Cr8 Cu4 O16 -","4","0.125","BR1169","W.A. Dollase; H.St.C. O'Neill","The Spinels CuCr~2~O~4~ and CuRh~2~O~4~","Acta Crystallographica Section C","1997","53","6","657","659","10.1107/S0108270197000486","","","1.54184","CuKα","","","","","","","","","","1.36","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006191","6.1756","0.0005","6.1756","0.0005","7.9006","0.0006","90","","90","","90","","301.31","0.04","295","","295","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Cu O4 Rh2 -","- Cu O4 Rh2 -","- Cu4 O16 Rh8 -","4","0.125","BR1169","W.A. Dollase; H.St.C. O'Neill","The Spinels CuCr~2~O~4~ and CuRh~2~O~4~","Acta Crystallographica Section C","1997","53","6","657","659","10.1107/S0108270197000486","","","1.54184","CuKα","","","","","","","","","","2.12","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006192","19.903","0.006","13.757","0.005","10.966","0.004","90","","90.39","0.02","90","","3002.5","1.8","163","2","163","2","","","","","","","","5","P 1 21 1","P 2yb","4","Asperchrome A","","","- C41 H92 Fe N9 O30 -","- C41 H92 Fe N9 O30 -","- C82 H184 Fe2 N18 O60 -","2","1","BS1004","Hossain, M. Bilayet; Jalal, Mahbubul A. F.; van der Helm, Dick","6-<small>L</small>-Alanineferrirubin, a Ferrichrome-type Siderophore from the Fungus <i>Aspergillus ochraceous</i>","Acta Crystallographica Section C","1997","53","6","716","718","10.1107/S0108270196015909","","","0.71073","MoKα","","0.0783","0.0648","","0.183","0.1628","","","","1.061","1.079","1.079","","","","","has coordinates","199470","2020-10-21","18:00:00",""
"2006193","19.244","0.003","8.882","0.001","9.736","0.002","90","","103.99","0.01","90","","1614.8","0.5","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ferrocenylbenzonitrile","","","- C20 H19 Fe N O -","- C20 H19 Fe N O -","- C80 H76 Fe4 N4 O4 -","4","1","BS1011","Zhang, Hongming; Lu, Yingchun; Biehl, Ed","2-(Ferrocenylmethyl)-6-methoxy-3-methylbenzonitrile and 10-(Ferrocenylmethyl)phenanthrene-9-carbonitrile","Acta Crystallographica Section C","1997","53","6","720","723","10.1107/S0108270196015958","","","0.71073","MoKα","","0.0527","0.0367","","0.1068","0.0919","","","","1.063","1.102","1.102","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006194","12.328","0.003","19.923","0.005","7.71","0.002","90","","96.63","0.02","90","","1881","0.8","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ferrocenylphenanthrenecarbonitrile","","","- C26 H19 Fe N -","- C26 H19 Fe N -","- C104 H76 Fe4 N4 -","4","1","BS1011","Zhang, Hongming; Lu, Yingchun; Biehl, Ed","2-(Ferrocenylmethyl)-6-methoxy-3-methylbenzonitrile and 10-(Ferrocenylmethyl)phenanthrene-9-carbonitrile","Acta Crystallographica Section C","1997","53","6","720","723","10.1107/S0108270196015958","","","0.71073","MoKα","","0.0992","0.0501","","0.1294","0.1007","","","","1.027","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006195","7.39","0.001","12.49","0.002","19.223","0.003","90","","91.75","0.01","90","","1773.5","0.5","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","BS1017","Kennedy, Alan R.; Kerr, William J.; McKendry, Sharon","4-Cyclohexanespiro{3-[2-methoxy-2-(2,6-dimethoxyphenyl)ethenyl]oxetan-2-one}","Acta Crystallographica Section C","1997","53","6","746","748","10.1107/S0108270197001418","","","0.71069","MoKα","","0.1305","0.0605","","0.0617","0.0539","","","","","1.517","1.517","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006196","11.364","0.003","11.372","0.003","11.668","0.004","76.13","0.02","89.66","0.03","65.21","0.02","1321.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Dichloro-tetrabiphenylcarboxylate-dirhenium","Dichloro tetrakis(μ~2~-2-biphenylcarboxylato) dirhenium(III) - dichloromethane solvate","","- C54 H40 Cl6 O8 Re2 -","- C54 H40 Cl6 O8 Re2 -","- C54 H40 Cl6 O8 Re2 -","1","0.5","BS1024","Cotton, F. Albert; Daniels, Lee M.; Liu, Jian; Ren, Tong","Tetrakis(μ-2-biphenylcarboxylato-<i>O</i>:<i>O</i>')bis[chlororhenium(III)] Bis(dichloromethane) Solvate","Acta Crystallographica Section C","1997","53","6","714","716","10.1107/S0108270197001480","","","1.54184","CuKα","","0.0338","0.0314","","0.0842","0.0826","","","","1.079","1.091","1.091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006197","9.3218","0.0007","9.5837","0.0005","15.5376","0.0008","94.431","0.01","101.179","0.011","99.73","0.01","1333.44","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Cl Fe N2 O4 -","- C32 H26 Cl Fe N2 O4 -","- C64 H52 Cl2 Fe2 N4 O8 -","2","1","CF1079","Elerman, Yalçın; Kabak, Mehmet; Ülkü, Dinçer","A Five-Coordinated Monomer of Chloro[<i>N</i>,<i>N</i>'-(di-2-hydroxy-1-naphthylidene)-1,2-diaminobenzene]iron(III)","Acta Crystallographica, Section C: Crystal Structure Communications","1997","53","6","712","714","10.1107/S0108270197000607","","","0.71073","MoKα","","0.072","0.067","","0.165","0.16","","","","1.143","1.15","1.15","","","","","has coordinates","291315","2024-04-22","13:30:51",""
"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",""
"2006199","8.002","0.005","12.286","0.002","17.38","0.004","90","","91.1","0.02","90","","1708.4","1.2","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","9-oxo-2-phenoxy-1,3,8,10-tetraaza-2λ^5^- phosphatricyclo[8.4.0.0^3,8^]tetradecane-2-sulfide","","- C15 H21 N4 O2 P S -","- C15 H21 N4 O2 P S -","- C60 H84 N16 O8 P4 S4 -","4","1","CF1146","Engelhardt, Udo; Rosefid, Mehdi","A Tricyclic Phosphorus(V)‒Hydrazine System with Twist Conformation of the Central Heterocycle","Acta Crystallographica Section C","1997","53","6","773","775","10.1107/S0108270196014898","","","0.71069","MoKα","","0.067","0.048","","0.03","0.029","","","","2.48","2.8","2.8","","","","","has coordinates","190439","2020-10-21","18:00:00",""
"2006200","11.344","0.001","7.437","0.001","15.542","0.002","90","","108.39","0.01","90","","1244.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-Fluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C15 H11 F N2 S -","- C15 H11 F N2 S -","- C60 H44 F4 N8 S4 -","4","1","CF1149","Bruno, Giuseppe; Grasso, Silvana; Monforte, Pietro; Nicoló, Francesco; Scopelliti, Rosario","1-(2-Fluorophenyl)-and 1-(3-Fluorophenyl)-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole","Acta Crystallographica Section C","1997","53","6","764","767","10.1107/S0108270197000760","","","0.71073","MoKα","","0.0414","0.0288","","0.075","0.0721","","","","0.933","1.051","1.051","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006201","11.249","0.001","7.421","0.001","15.867","0.002","90","","107.56","0.01","90","","1262.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Fluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C15 H11 F N2 S -","- C15 H11 F N2 S -","- C60 H44 F4 N8 S4 -","4","1","CF1149","Bruno, Giuseppe; Grasso, Silvana; Monforte, Pietro; Nicoló, Francesco; Scopelliti, Rosario","1-(2-Fluorophenyl)-and 1-(3-Fluorophenyl)-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole","Acta Crystallographica Section C","1997","53","6","764","767","10.1107/S0108270197000760","","","0.71073","MoKα","","0.0455","0.0347","","0.1011","0.0977","","","","1.049","1.171","1.171","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006202","9.193","0.0004","9.9973","0.0009","11.1516","0.0008","90","","90","","90","","1024.89","0.13","293","2","293","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- Mo8 O14 Sm -","- Mo8 O14 Sm -","- Mo32 O56 Sm4 -","4","","DU1168","Tortelier, J.; Gougeon, P.","SmMo~8~O~14~","Acta Crystallographica Section C","1997","53","6","668","671","10.1107/S0108270196015533","","","0.71073","MoKα","","0.0232","0.0202","","0.046","0.0453","","","","1.285","1.299","1.299","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006203","12.5928","0.0007","10.6943","0.001","16.0674","0.0005","90","","93.168","0.003","90","","2160.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5,7-dichlorokynurenic acid hydrate","4-oxo-1,4-dihydro-5,7-dichloroquinoline-2-carboxylic acid hydrate","","- C10 H7 Cl2 N O4 -","- C10 H7 Cl2 N O4 -","- C80 H56 Cl16 N8 O32 -","8","1","FG1216","Kubicki, Maciej; Bassyouni, Hanan A.R.; Codding, Penelope W.","5,7-Dichlorokynurenic Acid Hydrate, an Antagonist for the Glycine Binding Site on the NMDA Receptor","Acta Crystallographica Section C","1997","53","6","739","742","10.1107/S010827019700005X","","","1.54178","CuKα","","0.0483","0.0406","","0.14","0.1123","","","","1.229","1.051","1.051","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006204","14.814","0.003","12.372","0.002","14.306","0.002","90","","91.08","0.01","90","","2621.5","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(2,2'-dipyridylmethanediol-N,N')palladium(II) Chloride Tetrahydrate","","- C22 H28 Cl2 N4 O8 Pd -","- C22 H28 Cl2 N4 O8 Pd -","- C88 H112 Cl8 N16 O32 Pd4 -","4","0.5","FG1220","Sommerer, Shaun O.; Jircitano, Alan J.; Westcott, Barry L.; Abboud, Khalil A.; Bauer, Jeanette A. Krause","Bis(di-2-pyridylmethanediol-<i>N</i>,<i>N</i>')palladium(II) Dichloride Tetrahydrate and Dichloro(di-2-pyridylmethanediol-<i>N</i>,<i>N</i>')gold(III) Chloride","Acta Crystallographica Section C","1997","53","6","707","710","10.1107/S0108270197000218","","","0.71073","MoKα","","0.0429","0.0364","","0.1206","0.1144","","","","1.054","1.098","1.098","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2006205","9.233","0.002","12.271","0.003","12.627","0.003","90","","95.58","0.03","90","","1423.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro(2,2'-dipyridylmethanediol-N,N')gold(III) Chloride","","- C11 H10 Au Cl3 N2 O2 -","- C11 H10 Au Cl3 N2 O2 -","- C44 H40 Au4 Cl12 N8 O8 -","4","1","FG1220","Sommerer, Shaun O.; Jircitano, Alan J.; Westcott, Barry L.; Abboud, Khalil A.; Bauer, Jeanette A. Krause","Bis(di-2-pyridylmethanediol-<i>N</i>,<i>N</i>')palladium(II) Dichloride Tetrahydrate and Dichloro(di-2-pyridylmethanediol-<i>N</i>,<i>N</i>')gold(III) Chloride","Acta Crystallographica Section C","1997","53","6","707","710","10.1107/S0108270197000218","","","0.71073","MoKα","","0.046","0.0365","","0.0938","0.0898","","","","1.008","1.061","1.061","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006206","11.4438","0.0012","9.5077","0.001","21.497","0.003","90","","98.245","0.01","90","","2314.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","7,8-Bis(2-pyridiniumthio)-7,8-dicarba-nido-undecaborate trifluoromethanesulfonate","","- C13 H20 B9 F3 N2 O3 S3 -","- C13 H20 B9 F3 N2 O3 S3 -","- C52 H80 B36 F12 N8 O12 S12 -","4","1","FG1234","Jones, Peter G.; Crespo, Olga; Gimeno, M. Concepción; Laguna, Antonio","7,8-Bis(pyridinium-2-ylthio)-7,8-dicarba-<i>nido</i>-undecaborate Trifluoromethanesulfonate","Acta Crystallographica Section C","1997","53","6","767","768","10.1107/S0108270197002497","","","0.71073","MoKα","","0.0664","0.0349","","0.0807","0.0737","","","","0.872","1.001","1.001","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006207","10.646","0.003","11.286","0.003","14.205","0.004","78.2","0.02","80.64","0.02","71.77","0.02","1577.9","0.8","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","2,13-dithia[3]orthocyclo[3](2,3)-naphthalenophane","","- C20 H18 S2 -","- C20 H18 S2 -","- C80 H72 S8 -","4","2","FG1236","Jones, Peter G.; Kuś, Piotr","2,13-Dithia[3]orthocyclo[3](2,3)naphthalenophane","Acta Crystallographica Section C","1997","53","6","786","787","10.1107/S0108270197000061","","","0.71073","MoKα","","0.0594","0.0397","","0.1072","0.0916","","","","1.053","1.045","1.045","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006208","7.7374","0.0013","8.5142","0.0014","9.0238","0.0009","65.777","0.012","69.777","0.011","83.54","0.013","508.41","0.14","288","1","288","1","","","","","","","","7","P -1","-P 1","2","trans-diisothiocyanato(cyclam)chromium(III) perchlorate","trans-diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) perchlorate","","- C12 H24 Cl Cr N6 O4 S2 -","- C12 H24 Cl Cr N6 O4 S2 -","- C12 H24 Cl Cr N6 O4 S2 -","1","0.5","FG1243","Friesen, Duane A.; Quail, J. Wilson; Waltz, William L.; Nashiem, Rodney E.","<i>cis</i>-and <i>trans</i>-Diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) Perchlorate","Acta Crystallographica Section C","1997","53","6","687","691","10.1107/S0108270197002503","","","1.5418","CopperKα","","0.0395","0.0387","","0.1037","0.1029","","","","1.045","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006209","7.6925","0.0014","8.471","0.002","8.9387","0.0008","65.93","0.015","69.87","0.012","83.86","0.02","498.96","0.17","173","2","173","2","","","","","","","","7","P -1","-P 1","2","trans-diisothiocyanato(cyclam)chromium(III) perchlorate","trans-diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) perchlorate","","- C12 H24 Cl Cr N6 O4 S2 -","- C12 H24 Cl Cr N6 O4 S2 -","- C12 H24 Cl Cr N6 O4 S2 -","1","0.5","FG1243","Friesen, Duane A.; Quail, J. Wilson; Waltz, William L.; Nashiem, Rodney E.","<i>cis</i>-and <i>trans</i>-Diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) Perchlorate","Acta Crystallographica Section C","1997","53","6","687","691","10.1107/S0108270197002503","","","1.5418","CuKα","","0.0306","0.03","","0.0817","0.0811","","","","1.079","1.079","1.079","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006210","11.0105","0.0011","8.6361","0.0011","21.645","0.002","90","","90.105","0.008","90","","2058.2","0.4","288","1","288","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cis-diisothiocyanato(cyclam)chromium(III) perchlorate","cis-diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) perchlorate","","- C12 H24 Cl Cr N6 O4 S2 -","- C12 H24 Cl Cr N6 O4 S2 -","- C48 H96 Cl4 Cr4 N24 O16 S8 -","4","1","FG1243","Friesen, Duane A.; Quail, J. Wilson; Waltz, William L.; Nashiem, Rodney E.","<i>cis</i>-and <i>trans</i>-Diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) Perchlorate","Acta Crystallographica Section C","1997","53","6","687","691","10.1107/S0108270197002503","","","0.71073","MoKα","","0.1197","0.0523","","0.1665","0.1362","","","","0.999","1.188","1.188","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006211","10.975","0.002","8.69","0.002","21.144","0.004","90","","90.607","0.014","90","","2016.4","0.7","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cis-diisothiocyanato(cyclam)chromium(III) perchlorate","cis-diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) perchlorate","","- C12 H24 Cl Cr N6 O4 S2 -","- C12 H24 Cl Cr N6 O4 S2 -","- C48 H96 Cl4 Cr4 N24 O16 S8 -","4","1","FG1243","Friesen, Duane A.; Quail, J. Wilson; Waltz, William L.; Nashiem, Rodney E.","<i>cis</i>-and <i>trans</i>-Diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) Perchlorate","Acta Crystallographica Section C","1997","53","6","687","691","10.1107/S0108270197002503","","","0.71073","MoKα","","0.0837","0.045","","0.1482","0.1172","","","","1.06","1.125","1.125","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006212","7.0923","0.0002","23.1347","0.0005","15.1181","0.0003","90","","94.297","0.001","90","","2473.58","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H50 N2 O20 -","- C51 H50 N2 O20 -","- C102 H100 N4 O40 -","2","1","FG1246","Abboud, Khalil A.; Toporek, Stan S.; Horenstein, Benjamin A.","2,3-Di-<i>O</i>-benzoyl-1-<i>O</i>-<i>p</i>-nitrophenyl-6-<i>O</i>-pivaloyl-4-<i>O</i>-(3',4',6'-tri-<i>O</i>-acetyl-2'-deoxy-2'-<i>N</i>-phthalimido-β-<small>D</small>-1'-glucopyranosyl)-β-<small>D</small>-glucopyranose","Acta Crystallographica Section C","1997","53","6","742","744","10.1107/S0108270197000097","","","0.71073","MoKα","","0.0602","0.045","","0.1201","0.1028","","","","1.044","1.053","1.053","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006213","9.595","0.005","14.008","0.004","9.413","0.005","93.53","0.03","117.14","0.04","85.03","0.03","1121.3","1","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 Cl5 Cu N3 -","- C19 H22 Cl5 Cu N3 -","- C38 H44 Cl10 Cu2 N6 -","2","1","FG1248","Parvez, Masood; Sabir, Aaliya P.","Clemizole Tetrachlorocuprate(II) and Clemizole Tetrachlorocobaltate(II)","Acta Crystallographica Section C","1997","53","6","675","677","10.1107/S0108270196015922","","","0.71069","MoKα","","0.0834","0.0572","","0.0942","0.0747","","","","1.89","1.96","1.96","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006214","7.04","0.001","23.282","0.003","13.73","0.001","90","","91.11","0.01","90","","2250","0.5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cl5 Co N3 -","- C19 H22 Cl5 Co N3 -","- C76 H88 Cl20 Co4 N12 -","4","1","FG1248","Parvez, Masood; Sabir, Aaliya P.","Clemizole Tetrachlorocuprate(II) and Clemizole Tetrachlorocobaltate(II)","Acta Crystallographica Section C","1997","53","6","675","677","10.1107/S0108270196015922","","","0.71069","MoKα","","0.1134","0.0566","","0.1568","0.0809","","","","2.31","1.67","1.67","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006215","9.17","0.003","15.54","0.007","9.339","0.002","90","","99.14","0.02","90","","1313.9","0.8","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 Cl2 S2 Zn -","- C8 H18 Cl2 S2 Zn -","- C32 H72 Cl8 S8 Zn4 -","4","1","FG1260","Parvez, Masood; Mesher, Shaun T. E.; Clark, Peter D.","<i>trans</i>-[2,3-Bis(methylthio)hexane-<i>S</i>,<i>S</i>']dichlorozinc(II), <i>trans</i>-[1,2-Bis(methylthio)cyclohexane-<i>S</i>,<i>S</i>']dichlorozinc(II) and <i>cis</i>-[5,6-Bis(methylthio)-1,3-cycloheptadiene-<i>S</i>,<i>S</i>']dichlorozinc(II)","Acta Crystallographica Section C","1997","53","6","681","685","10.1107/S0108270197002631","","","0.71069","MoKα","","","0.027","","","0.022","","","","","1.403","1.403","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006216","12.325","0.002","13.196","0.002","8.535","0.001","107.69","0.01","92.31","0.01","98.63","0.01","1302.1","0.3","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 Cl2 S2 Zn -","- C8 H16 Cl2 S2 Zn -","- C32 H64 Cl8 S8 Zn4 -","4","2","FG1260","Parvez, Masood; Mesher, Shaun T. E.; Clark, Peter D.","<i>trans</i>-[2,3-Bis(methylthio)hexane-<i>S</i>,<i>S</i>']dichlorozinc(II), <i>trans</i>-[1,2-Bis(methylthio)cyclohexane-<i>S</i>,<i>S</i>']dichlorozinc(II) and <i>cis</i>-[5,6-Bis(methylthio)-1,3-cycloheptadiene-<i>S</i>,<i>S</i>']dichlorozinc(II)","Acta Crystallographica Section C","1997","53","6","681","685","10.1107/S0108270197002631","","","0.71069","MoKα","","0.082","0.029","","0.214","0.06","","","","0.999","0.998","0.998","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006217","7.513","0.006","12.044","0.007","7.47","0.004","95.15","0.02","93.67","0.03","103.66","0.04","651.6","0.7","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 Cl2 S2 Zn -","- C9 H14 Cl2 S2 Zn -","- C18 H28 Cl4 S4 Zn2 -","2","1","FG1260","Parvez, Masood; Mesher, Shaun T. E.; Clark, Peter D.","<i>trans</i>-[2,3-Bis(methylthio)hexane-<i>S</i>,<i>S</i>']dichlorozinc(II), <i>trans</i>-[1,2-Bis(methylthio)cyclohexane-<i>S</i>,<i>S</i>']dichlorozinc(II) and <i>cis</i>-[5,6-Bis(methylthio)-1,3-cycloheptadiene-<i>S</i>,<i>S</i>']dichlorozinc(II)","Acta Crystallographica Section C","1997","53","6","681","685","10.1107/S0108270197002631","","","0.71069","MoKα","","0.079","0.038","","0.109","0.09","","","","1.047","1.085","1.085","","","","","has coordinates","176435","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",""
"2006219","10.106","0.004","11.8","0.005","18.301","0.004","90","","94.42","0.02","90","","2175.9","1.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 Cl4 Cu N2 -","- C19 H24 Cl4 Cu N2 -","- C76 H96 Cl16 Cu4 N8 -","4","1","FG1262","Parvez, Masood; Sabir, Aaliya P.","Triprolidine Tetrachlorocuprate(II)","Acta Crystallographica Section C","1997","53","6","679","681","10.1107/S0108270197002072","","","0.71069","MoKα","","0.185","0.041","","0.193","0.092","","","","1.015","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006220","5.7618","0.0006","14.4939","0.0018","14.5031","0.0018","90","","90","","90","","1211.2","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Thieno[2,3-c]pyridine","","- C7 H5 N S -","- C7 H5 N S -","- C56 H40 N8 S8 -","8","1","FG1264","Nerenz, Heiko; Grahn, Walter; Jones, Peter G.","Thieno[2,3-<i>c</i>]pyridine, the First Structure of a Thienopyridine","Acta Crystallographica Section C","1997","53","6","787","789","10.1107/S0108270197002084","","","0.71073","MoKα","","0.0329","0.0263","","0.0776","0.0756","","","","1.06","1.139","1.139","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006221","8.939","0.002","9.36","0.002","11.438","0.002","90","","90","","90","","957","0.3","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Oxalyl chloride dimesylamide","","- C4 H6 Cl N O6 S2 -","- C4 H6 Cl N O6 S2 -","- C16 H24 Cl4 N4 O24 S8 -","4","1","FG1267","Dalluhn, Jörg; Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. LXXXII. Oxalyl Chloride Dimesylamide","Acta Crystallographica Section C","1997","53","6","781","783","10.1107/S0108270197002096","","","0.71073","MoKα","","0.0208","0.0201","","0.0575","0.0526","","","","1.073","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006222","9.1599","0.0013","9.1599","0.0013","5.445","0.003","90","","90","","120","","395.6","0.2","143","2","143","2","","","","","","","","3","P 63/m","-P 6c","176","","2,4,6-Tris(diazo)-cyclohexane-1,3,5-trione","","- C6 N6 O3 -","- C6 N6 O3 -","- C12 N12 O6 -","2","0.166667","FG1274","Jones, Peter G.; Ahrens, Birte; Höpfner, Thomas; Hopf, Henning","2,4,6-Tris(diazo)cyclohexane-1,3,5-trione","Acta Crystallographica Section C","1997","53","6","783","786","10.1107/S0108270197002114","","","0.71073","MoKα","","0.0306","0.0291","","0.0933","0.0885","","","","1.184","1.196","1.196","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006223","5.0997","0.0009","9.174","0.001","28.375","0.005","90","","90","","90","","1327.5","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,5-diaziridinyl-3-phenylquinone","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","HA1183","Hargreaves, Rob H. J.; Mayalarp, Stephen P.; Butler, John; Lee, Moses; Pennington, William T.","2,5-Diaziridinyl-3-phenyl-<i>p</i>-benzoquinone","Acta Crystallographica Section C","1997","53","6","749","751","10.1107/S0108270197001224","","","1.54178","CuKα","","0.0759","0.0451","","0.1226","0.1094","","","","0.861","1.029","1.029","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006224","6.212","0.001","10.162","0.005","27.589","0.006","90","","90","","90","","1741.6","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O5 -","- C19 H30 O5 -","- C76 H120 O20 -","4","1","HA1184","Damas, Ana M.; Kijjoa, Anake; Pinto, Madalena","Two Dolabrane-type Diterpenoids","Acta Crystallographica Section C","1997","53","6","755","757","10.1107/S0108270196015752","","","0.71069","MoKa","","0.0422","0.0366","","0.1156","0.0996","","","","1.047","1.053","1.053","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006225","6.257","0.001","15.137","0.003","9.819","0.002","90","","96.56","0.02","90","","923.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H31 Cl O4 -","- C19 H31 Cl O4 -","- C38 H62 Cl2 O8 -","2","1","HA1184","Damas, Ana M.; Kijjoa, Anake; Pinto, Madalena","Two Dolabrane-type Diterpenoids","Acta Crystallographica Section C","1997","53","6","755","757","10.1107/S0108270196015752","","","0.71069","MoKa","","0.0336","0.0316","","0.0801","0.0775","","","","1.057","1.048","1.048","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006226","8.96","0.004","20.536","0.011","8.146","0.004","90","","102.97","0.04","90","","1460.6","1.3","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","guanidinium hydrogen squarate","","","- C5 H7 N3 O4 -","- C5 H7 N3 O4 -","- C40 H56 N24 O32 -","8","2","JZ1154","Tsonko Kolev; Hans Preut; Paul Bleckmann; Valentina Radomirska","Guanidinium Hydrogen Squarate","Acta Crystallographica Section C","1997","53","6","805","807","10.1107/S0108270197001182","","","0.71073","MoKα","","0.0848","0.0562","","0.1983","0.1528","","","","0.988","1.171","1.171","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006227","8.9054","0.0013","8.9054","0.0013","37.978","0.008","90","","90","","90","","3011.9","0.9","293","2","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C30 H50 Cl2 Pd2 -","- C30 H50 Cl2 Pd2 -","- C120 H200 Cl8 Pd8 -","4","0.5","","Larbi El Firdoussi; Smaïl Allaoud; Abdellah Karim; Alejandro F. Barrero; Miguel Quirós; Yves Castanet; André Mortreux","Bis(π-allyl-6,7-dihydrohimachalene)-α,α-dichlorodipalladium","Acta Crystallographica Section C","1997","53","","710","712","","","","","","","","0.0738","","","0.153","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2006228","5.6211","0.0009","7.356","0.001","18.144","0.003","98.956","0.009","97.03","0.01","99.326","0.009","722.9","0.2","295.2","","295.2","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9 Br N2 O3 S -","- C15 H9 Br N2 O3 S -","- C30 H18 Br2 N4 O6 S2 -","2","1","JZ1178","Ruiwu, Tao; Barnes, Charles L.; Cox, Osvaldo; Hernàndez, Wigberto J.; Cardona, Damaris; Huang, Songping D.","1-(1,3-Benzothiazol-2-yl)-2-(2-bromo-5-nitrophenyl)ethanone","Acta Crystallographica Section C","1997","53","6","801","803","10.1107/S0108270197000656","","","0.7107","MoKα","","","0.0317","","","0.0375","","","","","1.766","1.766","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006229","28.663","0.0007","28.663","0.0007","7.25719","0.0001","90","","90","","90","","5962.3","0.2","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","(4-Ethylpyridine)(N-salicylideneglycinato)copper(II) Tetramer","","- C64 H64 Cu4 N8 O12 -","- C64 H64 Cu4 N8 O12 -","- C256 H256 Cu16 N32 O48 -","4","0.25","JZ1191","Warda, Salam A.","A (4-Ethylpyridine)(<i>N</i>-salicylideneglycinato)copper(II) Tetramer","Acta Crystallographica Section C","1997","53","6","697","699","10.1107/S0108270197002692","","","1.54178","CuKα","","0.0475","0.0435","","0.1254","0.1225","","","","1.124","1.153","1.153","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006230","13.8156","0.0012","6.947","0.002","12.4225","0.0014","90","","111.66","0.01","90","","1108.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Potassium 3-Dithiocarboxy-3-Aza-5-Amino Pentanoate Dihydrate","","- C5 H13 K N2 O4 S2 -","- C5 H12 K N2 O4 S2 -","- C20 H48 K4 N8 O16 S8 -","4","1","KA1221","Bogdan Prelesnik; Katarina Andjelković; Zorica Marković; Tibor Sabo; Srećko Trifunović","Potassium 3-Dithiocarboxy-3-aza-5-aminopentanoate Dihydrate","Acta Crystallographica Section C","1997","53","6","719","720","10.1107/S0108270197001650","","","0.71073","MoKα","","","0.039","","","0.041","","","","","0.957","0.957","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006231","9.2523","0.0007","30.116","0.001","10.2195","0.0007","90","","95.203","0.003","90","","2835.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicyclohexylammonium (N,N-Dicyclohexylthiocarbamoylthio)acetate","","- C27 H48 N2 O2 S2 -","- C27 H48 N2 O2 S2 -","- C108 H192 N8 O8 S8 -","4","1","KH1126","Ng, Seik Weng","Dicyclohexylammonium (<i>N</i>,<i>N</i>-Dicyclohexylthiocarbamoylthio)acetate","Acta Crystallographica Section C","1997","53","6","779","781","10.1107/S0108270197000644","","","0.71073","MoKα","","0.0646","0.0453","","0.1249","0.115","","","","1.04","1.135","1.135","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006232","6.797","0.002","13.558","0.006","7.217","0.002","90","","96.58","0.03","90","","660.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(cyanamidonitrate)bis(imidazole) copper(II) complex, C~8~H~8~N~10~O~4~Cu~1~","","- C8 H8 Cu N10 O4 -","- C8 H8 Cu N10 O4 -","- C16 H16 Cu2 N20 O8 -","2","0.5","MU1302","Kožíšek, Jozef; Jesús García Díaz; Mária Hvastijová; Lothar Jäger","<i>trans</i>-Bis(cyanamidonitrato-<i>N</i>:<i>O</i>)bis(imidazole-<i>N</i>^3^)copper(II), [Cu(CN~3~O~2~)~2~(C~3~H~4~N~2~)~2~]","Acta Crystallographica Section C","1997","53","6","703","705","10.1107/S010827019700111X","","","0.71073","MoKα","","0.0706","0.0359","","0.102","0.0963","","","","0.975","1.174","1.174","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006233","7.4538","0.0006","12.563","0.002","12.983","0.001","90","","90","","90","","1215.8","0.2","297","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 I N O -","- C13 H10 I N O -","- C52 H40 I4 N4 O4 -","4","1","MU1303","Elmali, Ayhan; Elerman, Yalc̨in","2-[(2-Iodophenyl)iminomethyl]phenol","Acta Crystallographica Section C","1997","53","6","791","793","10.1107/S0108270197000619","","","0.71069","MoKα","","0.0235","0.0217","","0.0589","0.0577","","","","1.093","1.093","1.093","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006234","9.722","0.003","7.475","0.002","20.255","0.005","90","","99.75","0.01","90","","1450.7","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","onysilin","2,3-dihydro-5-hydroxy-6,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one","","- C17 H16 O5 -","- C17 H16 O5 -","- C68 H64 O20 -","4","1","MU1306","Chantrapromma, Kan; Seechamnanturakit, Vatcharee; Ponglimanont, Chanita; Pakawatchai, Chaveng; Fun, Hoong-Kun; Sivakumar, Kandasamy","2,3-Dihydro-5-hydroxy-6,7-dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one (Onysilin)","Acta Crystallographica Section C","1997","53","6","734","736","10.1107/S0108270197001121","","","0.71073","MoKα","","0.0698","0.0517","","0.1655","0.1516","","","","1.086","1.202","1.202","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006235","10.75","0.002","26.735","0.006","10.533","0.001","90","","90","","90","","3027.2","0.9","293","","20","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O11 -","- C31 H50 O11 -","- C124 H200 O44 -","4","1","NA1249","Chen, Hao; Tan, Ren-Xiang; Liu, Zhi-Li; Zhao, Cong-Yuan; Sun, Jie","A Clerodane Diterpene with Antibacterial Activity from <i>Ajuga lupulina</i>","Acta Crystallographica Section C","1997","53","6","814","816","10.1107/S0108270196013637","","","0.7107","MoKα","","0.0679","0.0465","","0.137","0.0614","","","","","2.38","2.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006236","10.838","0.001","9.347","0.001","13.456","0.001","90","","92.3","0.01","90","","1362","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,4R,5R)-5,6-diacetoxy-4-(t-butyldiphenylsilyloxy)-3-hydroxy -4-methylhex-1-en","","- C27 H36 O6 Si -","- C27 H36 O6 Si -","- C54 H72 O12 Si2 -","2","1","NA1274","Lewinski, Krzysztof","(2<i>R</i>,3<i>R</i>,4<i>S</i>)-3-(<i>tert</i>-Butyldiphenylsiloxy)-4-hydroxy-3-methylhex-5-ene-1,2-diyl Diacetate","Acta Crystallographica Section C","1997","53","6","753","755","10.1107/S0108270197000498","","","0.71069","MoKα","","0.0345","0.0317","","0.0869","0.0856","","","","1.021","1.037","1.037","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006237","11.3664","0.0002","8.8648","0.0002","5.72","0.0001","90","","90","","90","","576.352","0.019","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","catena-Cyclopentadienylcesium","","","- C5 H5 Cs -","- C5 H5 Cs -","- C20 H20 Cs4 -","4","0.5","NA1280","Robert E. Dinnebier; Falk Olbrich; Götz M. Bendele","Cyclopentadienylcaesium by High-Resolution X-ray Powder Diffraction","Acta Crystallographica Section C","1997","53","6","699","701","10.1107/S0108270197001984","","","0.69006","Synchrotron","","0.0545","0.0545","","","0.0746","","","","","1.406","1.406","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006238","25.31","0.01","9.242","0.002","23.006","0.002","90","0.01","117.58","0.02","90","0.02","4770","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(propionato)[tetra(p-chlorophenyl)porphryinatotin(IV) Dichloromethane solvate","","- C51 H36 Cl6 N4 O4 Sn -","- C51 H34 Cl6 N4 O4 Sn -","- C204 H136 Cl24 N16 O16 Sn4 -","4","0.5","NA1286","Belcher, Warwick J.; Brothers, Penelope J.; Rickard, Clifton E. F.","Bis(propionato-<i>O</i>)[5,10,15,20-tetra(<i>p</i>-chlorophenyl)porphyrinato-κ^4^<i>N</i>]tin(IV) Dichloromethane Solvate","Acta Crystallographica Section C","1997","53","6","725","726","10.1107/S0108270197002333","","","0.71069","MoKα","","0.1011","0.0482","","0.1375","0.1127","","","","1.063","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006239","8.284","0.001","8.284","0.001","12.092","0.002","90","","90","","90","","829.8","0.2","297","","297","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au2 Cs2 I6 -","- Au2 Cs2 I6 -","- Au4 Cs4 I12 -","2","0.0625","OA1010","Matsushita, Nobuyuki; Kitagawa, Hiroshi; Kojima, Norimichi","A Three-Dimensional Iodo-Bridged Mixed-Valence Gold(I, III) Compound, Cs~2~Au^I^Au^III^I~6~","Acta Crystallographica Section C","1997","53","6","663","666","10.1107/S0108270197000279","","","0.71069","MoKα","","","0.0698","","","0.0851","","","","","2.66","2.66","","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2006240","15.866","0.002","17.32","0.002","10.3158","0.0009","90","","90","","90","","2834.8","0.5","296.2","","296.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 O7 -","- C31 H46 O7 -","- C124 H184 O28 -","4","1","OA1013","Limmatvapirat, Sontaya; Yamaguchi, Kentaro; Yonemochi, Etsuo; Oguchi, Toshio; Yamamoto, Keiji","A 1:1 Deoxycholic Acid‒Salicylic Acid Complex","Acta Crystallographica Section C","1997","53","6","803","805","10.1107/S0108270197000899","","","1.5418","CuKα","","","0.0413","","","0.0444","","","","","1.867","1.867","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006241","8.307","0.002","6.7435","0.0009","10.102","0.002","90","","118.576","0.006","90","","496.96","0.17","296","","296","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C6 H12 N2 O6 V -","- C6 H10 N2 O6 V -","- C12 H20 N4 O12 V2 -","2","1","OA1014","Kan Kanamori; Kazuhito Ino; Ken-Ichi Okamoto","Aqua(ethylenediamine-<i>N</i>,<i>N</i>'-diacetato-<i>O</i>,<i>O</i>')oxovanadium(IV)","Acta Crystallographica Section C","1997","53","6","672","673","10.1107/S0108270197000231","","","0.7107","MoKα","","","0.0309","","","0.045","","","","","1.417","1.417","","","","","has coordinates","176435","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",""
"2006243","13.476","0.002","14.04","0.001","10.3145","0.0009","103.953","0.008","105.2","0.008","67.291","0.008","1715.7","0.3","296","","296","","","","","","","","","3","P -1","-P 1","2","","2,2-diphenyl-1,3,6,9-tetraoxacycloundecane","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","2","OA1021","Hatsue Tamura; Shinya Ueno; Kazuhide Ogawa; Toshikazu Nagai; Takumi Oshima","Planar Chirality in 2,2-Diphenyl-1,3,6,9-tetraoxacycloundecane","Acta Crystallographica Section C","1997","53","6","759","761","10.1107/S0108270197000905","","","1.5418","CuKα","","","0.046","","","0.049","","","","","1.69","1.69","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006244","6.286","0.003","12.033","0.005","24.523","0.014","90","","95.31","0.04","90","","1846.9","1.6","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Methylbenzothiazolinospiro-2,3'-(2-methyl-[3H]phenanthr[9,10-b][1,4]oxazine)","","- C24 H18 N2 O S -","- C24 H18 N2 O S -","- C96 H72 N8 O4 S4 -","4","1","PA1249","Xiaodong Sun; Yongchao Liang; Meigong Fan; Edward T. Knobbe; Elizabeth M. Holt","1-Methylbenzothiazolinospiro-2,3'-(2-methyl[3<i>H</i>]phenanthr[9,10-<i>b</i>][1,4]oxazine) and 1-Methylbenzothiazolinospiro-2,3'-(2'-methyl[3<i>H</i>]naphth[2,1-<i>b</i>][1,4]oxazine)","Acta Crystallographica Section C","1997","53","6","820","823","10.1107/S0108270197000012","","","0.71073","MoKα","","","0.0545","","","0.057","","","","","1.3","1.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006245","10.237","0.003","13.364","0.007","12.296","0.007","90","","102.16","0.03","90","","1644.4","1.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-methylbenzothiazolinospiro-2,3'-(2'-methyl-[3H]naphth[2,1-b][1,4]oxazine)","","- C20 H16 N2 O S -","- C20 H16 N2 O S -","- C80 H64 N8 O4 S4 -","4","1","PA1249","Xiaodong Sun; Yongchao Liang; Meigong Fan; Edward T. Knobbe; Elizabeth M. Holt","1-Methylbenzothiazolinospiro-2,3'-(2-methyl[3<i>H</i>]phenanthr[9,10-<i>b</i>][1,4]oxazine) and 1-Methylbenzothiazolinospiro-2,3'-(2'-methyl[3<i>H</i>]naphth[2,1-<i>b</i>][1,4]oxazine)","Acta Crystallographica Section C","1997","53","6","820","823","10.1107/S0108270197000012","","","0.71073","MoKα","","","0.0462","","","0.0541","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006246","19.133","0.002","10.2247","0.001","20.0835","0.0014","90","","107.55","0.02","90","","3746","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4,5,6,7,8,9-Hexamethoxy-indeno[1,2,3-ij]isoquinoline","","","- C21 H21 N O6 -","- C21 H21 N O6 -","- C168 H168 N8 O48 -","8","1","QA0003","Scherowsky, Günter; Frackowiak, Esther; Adam, David","4,5,6,7,8,9-Hexamethoxyindeno[1,2,3-<i>ij</i>]isoquinoline","Acta Crystallographica Section C","1997","53","6","IUC9700005","","10.1107/S0108270197007695","","","0.71073","MoKα","","0.1498","0.0691","","0.2177","0.1663","","","","1.191","1.319","1.319","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006247","9.356","0.002","9.609","0.002","20.529","0.004","92.16","0.03","92.81","0.03","98.73","0.03","1820.1","0.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","bis(triphenylphosphine)palladium bromide","trans-dibromobis(triphenylphosphine)palladium(II)","","- C40 H38 Br2 O P2 Pd -","- C40 H38 Br2 O P2 Pd -","- C80 H76 Br4 O2 P4 Pd2 -","2","1","QA0004","Stark, Joseph L.; Whitmire, Kenton H.","<i>trans</i>-Dibromobis(triphenylphosphine)palladium(II) Tetrahydrofuran Solvate and <i>trans</i>-Dichlorobis(triphenylphosphine)palladium(II) Bis(chloroform) Solvate","Acta Crystallographica Section C","1997","53","6","IUC9700007","","10.1107/S0108270197099502","","","0.71073","MoKα","","0.0592","0.047","","0.1418","0.1316","","","","1.051","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006248","7.88","0.002","11.201","0.002","12.043","0.002","89.19","0.03","76.76","0.03","74.65","0.03","996.6","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","Bis(triphenylphosphine)palladium chloride","trans-dichlorobis-(triphenylphosphine)palladium(II)","","- C38 H32 Cl8 P2 Pd -","- C38 H32 Cl8 P2 Pd -","- C38 H32 Cl8 P2 Pd -","1","0.5","QA0004","Stark, Joseph L.; Whitmire, Kenton H.","<i>trans</i>-Dibromobis(triphenylphosphine)palladium(II) Tetrahydrofuran Solvate and <i>trans</i>-Dichlorobis(triphenylphosphine)palladium(II) Bis(chloroform) Solvate","Acta Crystallographica Section C","1997","53","6","IUC9700007","","10.1107/S0108270197099502","","","0.71073","MoKα","","0.0579","0.0525","","0.1399","0.1353","","","","1.032","1.047","1.047","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2006249","13.602","0.004","14.924","0.005","22.77","0.006","90","","105.76","0.02","90","","4448","2","299","2","299","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,1-dimethyl-1-tert-butyl-2,2,2-triphenyldisilane","","- C24 H30 Si2 -","- C24 H30 Si2 -","- C192 H240 Si16 -","8","1","QB0006","Stark, Joseph L.; Whitmire, Kenton H.","[2-(<i>tert</i>-Butyldimethylsilyl)phenyl]diphenyl(2,2,4,4-tetramethylpent-3-yloxy)silane and its Disilane Precursor, 1-<i>tert</i>-Butyl-1,1-dimethyl-2,2,2-triphenyldisilane","Acta Crystallographica Section C","1997","53","6","IUC9700006","","10.1107/S0108270197099496","","","0.71073","MoKα","","0.0946","0.0614","","0.2228","0.1781","","","","0.821","0.806","0.806","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006250","25.977","0.003","25.978","0.007","9.437","0.004","90","","90","","90","","6368","3","293","","293","2","","","","","","","","4","I -4","I -4","82","","[2-(tert-Butyldimethylsilyl)phenyl]diphenyl(2,2,4,4-tetramethylpent-3-yl- oxy)silane","","- C33 H48 O Si2 -","- C33 H48 O Si2 -","- C264 H384 O8 Si16 -","8","1","QB0006","Leigh, William J.; Kroll, Elizabeth C.; Toltl, Nicholas P.; Britten, James F.","[2-(<i>tert</i>-Butyldimethylsilyl)phenyl]diphenyl(2,2,4,4-tetramethylpent-3-yloxy)silane and its Disilane Precursor, 1-<i>tert</i>-Butyl-1,1-dimethyl-2,2,2-triphenyldisilane","Acta Crystallographica Section C","1997","53","6","IUC9700006","","10.1107/S0108270197099496","","","1.54178","CopperKα","","0.1514","0.0797","","0.2631","0.19","","","","1.009","0.983","0.983","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006251","7.29","0.003","7.926","0.003","14.654","0.004","90","","92.94","0.07","90","","845.6","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","α-PNM","4'-nitrophenyl-α-D-mannopyranoside","","- C14 H21 N O9 -","- C14.02 H15 N O9.01 -","- C28.04 H30 N2 O18.02 -","2","1","SK1000","Agianian, Bogos; Perrakis, Anastassis; Kanellopoulos, Panagiotis N.; Sheldrick, Bernard; Hamodrakas, Stavros J.","<i>p</i>-Nitrophenyl α-<small>D</small>-Mannopyranoside Ethanol Solvate","Acta Crystallographica Section C","1997","53","6","811","814","10.1107/S0108270196015776","","","1.5418","CuKα","","0.0682","0.0647","","0.1767","0.1702","","","","1.084","1.087","1.087","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006252","8.384","0.002","10.898","0.002","14.822","0.005","90","","92.76","0.02","90","","1352.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Diclofenac acid","(2-((2,6-Dichlorophenyl)amino-phenyl)acetic acid (HD)","","- C14 H11 Cl2 N O2 -","- C14 H11 Cl2 N O2 -","- C56 H44 Cl8 N4 O8 -","4","1","SK1077","Carlo Castellari; Stefano Ottani","Two Monoclinic Forms of Diclofenac Acid","Acta Crystallographica Section C","1997","53","6","794","797","10.1107/S0108270197002126","","","0.71069","MoKα","","0.1569","0.0397","","0.1206","0.0859","","","","1.005","1.172","1.172","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006253","20.226","0.004","6.971","0.003","20.061","0.004","90","","109.64","0.02","90","","2664","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Diclofenac acid","(2-((2,6-Dichlorophenyl)amino-phenyl)acetic acid (HD)","","- C14 H11 Cl2 N O2 -","- C14 H11 Cl2 N O2 -","- C112 H88 Cl16 N8 O16 -","8","1","SK1077","Carlo Castellari; Stefano Ottani","Two Monoclinic Forms of Diclofenac Acid","Acta Crystallographica Section C","1997","53","6","794","797","10.1107/S0108270197002126","","","0.71069","MoKα","","0.0711","0.0374","","0.1126","0.0992","","","","1.057","1.178","1.178","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006254","16.698","0.002","7.0361","0.0005","9.7093","0.0013","90","","108.754","0.011","90","","1080.2","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","His-Gly hydrochloride","L-Histidyl-glycinium Chloride","","- C8 H13 Cl N4 O3 -","- C8 H13 Cl N4 O3 -","- C32 H52 Cl4 N16 O12 -","4","1","SX1019","Steiner, Thomas","<small>L</small>-Histidylglycinium Chloride, C~8~H~13~N~4~O~3~^+^.Cl^{-^}","Acta Crystallographica Section C","1997","53","6","730","732","10.1107/S0108270197000590","","","1.54176","CuKα","","0.0333","0.0318","","0.0864","0.0854","","","","1.072","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006255","7.313","0.003","7.122","0.002","7.0719","0.0015","90","","94","0.03","90","","367.4","0.2","158","2","158","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","N-Methylmorpholinium chloride","","- C5 H12 Cl N O -","- C5 H12 Cl N O -","- C10 H24 Cl2 N2 O2 -","2","0.5","TA1080","Turnbull, Mark M.","<i>N</i>-Methylmorpholinium Chloride","Acta Crystallographica Section C","1997","53","6","818","820","10.1107/S0108270197002710","","","0.71073","MoKα","","0.0329","0.0293","","0.0823","0.0812","","","","1.059","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006256","11.81","0.001","13.8044","0.0007","8.925","0.001","90","","101.32","0.008","90","","1426.7","0.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4-dimethoxybenzylideneisonicotinoylhydrazone","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","1","TA1119","Chen, Wei; Zhang, X.; Shan, B.; You, X.","3,4-Dimethoxybenzaldehyde Isonicotinoylhydrazone","Acta Crystallographica Section C","1997","53","6","775","777","10.1107/S0108270197000516","","","0.71073","MoKα","","0.0955","0.0595","","0.1405","0.1265","","","","0.973","1.158","1.158","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006257","13.731","0.001","10.294","0.001","17.23","0.001","90","","103.06","0.01","90","","2372.4","0.3","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 N3 S6 V -","- C15 H30 N3 S6 V -","- C60 H120 N12 S24 V4 -","4","1","TA1121","Zhu, Hong-Ping; Deng, Yu-Heng; Huang, Xiao-Ying; Chen, Chang-Neng; Liu, Qiu-Tian","Tris(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')vanadium(III)","Acta Crystallographica Section C","1997","53","6","692","693","10.1107/S0108270196015065","","","0.71073","MoKα","","","0.0393","","","0.0456","","","","","1.27","1.27","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006258","8.9289","0.0006","8.9289","0.0006","11.3327","0.0007","90","","90","","120","","782.46","0.09","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","Tris(ethylenediamine)zinc(II) Nitrate","","- C6 H24 N8 O6 Zn -","- C6 H24 N8 O6 Zn -","- C12 H48 N16 O12 Zn2 -","2","0.166667","TA1128","Neill, Debbie; Riley, Mark J.; Kennard, Colin H. L.","Tris(ethylenediamine-<i>N</i>,<i>N</i>')zinc(II) Dinitrate","Acta Crystallographica Section C","1997","53","6","701","703","10.1107/S0108270197001996","","","0.71069","MoKα","","0.0253","0.0246","","0.059","0.0584","","","","1.209","1.213","1.213","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006259","7.094","0.001","13.77","0.003","12.648","0.002","90","","90.57","0.02","90","","1235.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","hexaamminecobalt(III) thiosulfate monohydrate","hexaamminecobalt(III) thiosulfate chloride monohydrate","","- Cl Co H20 N6 O4 S2 -","- Cl Co H20 N6 O4 S2 -","- Cl4 Co4 H80 N24 O16 S8 -","4","1","TA1152","Sobolev, Alexander N.; Figgis, Brian N.","Hexaamminecobalt(III) Thiosulfate Chloride Monohydrate","Acta Crystallographica Section C","1997","53","6","661","663","10.1107/S0108270197002722","","","0.71069","MoKα","","0.046","0.0322","","0.0816","0.0736","","","","1.078","1.102","1.102","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006260","12.868","0.001","14.951","0.001","20.436","0.001","90","","105.58","0.01","90","","3787.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O5 S -","- C21 H17 N O5 S -","- C168 H136 N8 O40 S8 -","8","2","VJ1042","Govindasamy, L.; Velmurugan, D.; Ravikumar, K.; Mohanakrishnan, A.K.","4-Hydroxy-6-methoxy-9-phenylsulfonylcarbazol-3-yl Methyl Ketone","Acta Crystallographica Section C","1997","53","6","771","773","10.1107/S0108270196015624","","","0.71073","MoKα","","0.0746","0.0457","","0.1332","0.1149","","","","1.071","1.133","1.133","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006261","8.4247","0.0007","9.482","0.001","10.634","0.001","93.565","0.01","104.462","0.009","101.452","0.008","800.57","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Trimethoprim nitrate","[2,4,-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine] nitrate.","","- C14 H19 N5 O6 -","- C14 H19 N5 O6 -","- C28 H38 N10 O12 -","2","1","VJ1045","Murugesan, S.; Thomas Muthiah, P.","Hydrogen-Bonding Patterns in Trimethoprim Nitrate, an Antifolate Drug","Acta Crystallographica Section C","1997","53","6","763","764","10.1107/S0108270196015636","","","0.7093","MoKα","","0.0671","0.0503","","0.1297","0.1219","","","","1.134","1.217","1.217","","","","","has coordinates","201955","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",""
"2006263","8.3549","0.0011","9.1092","0.0014","10.29","0.002","64.196","0.016","77.525","0.014","82.951","0.011","688","0.2","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H20 I8 S4 -","- C10 H20 I8 S4 -","- C10 H20 I8 S4 -","1","0.5","AB1440","Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Schröder, Martin","1,4,8,11-Tetrakis(diiodine)-1,4,8,11-tetrathiacyclotetradecane","Acta Crystallographica Section C","1997","53","7","886","888","10.1107/S010827019700067X","","","0.71073","MoKα","","0.0396","0.0312","","0.0689","0.0631","","","","1.156","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006264","8.754","0.002","15.055","0.003","26.742","0.005","90","","90","","90","","3524.4","1.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Anhydride of diacetoxyboric and 1-cyclopropyl-6-fluoro-7-chloro-4-oxo-1,4- dihydroquinoline-3-carboxylic acid","","- C17 H14 B Cl F N O7 -","- C17 H14 B Cl F N O7 -","- C136 H112 B8 Cl8 F8 N8 O56 -","8","1","AB1445","Turel, Iztok; Leban, Ivan; Bukovec, Peter; Barbo, Martin","Boron Complex of a Member of the Quinolone Family","Acta Crystallographica Section C","1997","53","7","942","943","10.1107/S0108270197003491","","","0.71073","MoKα","","0.1014","0.0534","","0.1395","0.1128","","","","1.076","1.128","1.128","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006265","40.266","0.014","7.044","0.0013","7.1203","0.0013","90","","90","","90","","2019.6","0.9","294","1","294","1","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C92 H92 N12 O8 -","4","0.5","AB1460","Meehan, Paul R.; Alyea, Elmer C.; Ferguson, George","2,6-Diacetylpyridinebis(<i>p</i>-methoxyaniline), a Terdentate <i>NNN</i> Donor Ligand","Acta Crystallographica Section C","1997","53","7","888","890","10.1107/S0108270197002035","","","0.7107","MoKα","","0.0973","0.052","","0.1436","0.127","","","","0.94","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006266","9.2739","0.0013","16.682","0.002","14.69","0.002","90","","90","","90","","2272.6","0.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycine Dihydrate","","- C7 H13 N5 O6 -","- C7 H13 N5 O6 -","- C56 H104 N40 O48 -","8","1","AB1473","Low, John N.; Ferguson, George; López, Rafael; Arranz, Paloma; Cobo, Justo; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo","<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycine‒Water (1/2)","Acta Crystallographica Section C","1997","53","7","890","892","10.1107/S0108270197003934","","","0.7107","MolybdenumKα","","0.121","0.0482","","0.1205","0.1043","","","","0.889","1.149","1.149","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006267","10.6524","0.0012","10.6524","0.0012","25.548","0.004","90","","90","","90","","2899","0.6","293","","293","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C34 H42 O2 -","- C34 H42 O2 -","- C136 H168 O8 -","4","0.5","BK1252","Suh, Il-Hwan; Choi, Sungjo; Lewis, David E.; Jensen, William P.","Two Related Benzylcamphor Dimers","Acta Crystallographica Section C","1997","53","7","963","967","10.1107/S0108270197000371","","","0.7093","MolybdenumKα","","0.047","0.047","","0.027","0.027","","","","","2.18","2.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006268","13.453","0.003","10.1847","0.0016","10.2639","0.0018","90","","101.012","0.017","90","","1380.4","0.5","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H42 O2 -","- C34 H42 O2 -","- C68 H84 O4 -","2","1","BK1252","Suh, Il-Hwan; Choi, Sungjo; Lewis, David E.; Jensen, William P.","Two Related Benzylcamphor Dimers","Acta Crystallographica Section C","1997","53","7","963","967","10.1107/S0108270197000371","","","1.54056","CopperKα","","0.08","0.08","","0.067","0.067","","","","","7.32","7.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006269","9.51","0.002","13.75","0.003","13.41","0.002","90","","107.58","0.01","90","","1671.6","0.6","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[1,3-dimethyl-2(3H)-imidazoleselone]dichlorocobalt(II)","","- C10 H16 Cl2 Co N4 Se2 -","- C10 H16 Cl2 Co N4 Se2 -","- C40 H64 Cl8 Co4 N16 Se8 -","4","1","BK1302","Williams, Daniel J.; Jones, Timothy A.; Rice, Edward D.; Davis, Kerri J.; Ritchie, John A.; Pennington, William T.; Schimek, George L.","Dichlorobis[1,3-dimethylimidazole-2(3<i>H</i>)selone-<i>Se</i>]cobalt(II)","Acta Crystallographica Section C","1997","53","7","837","838","10.1107/S0108270196013947","","","0.71073","MoKα","","0.0626","0.0333","","0.0431","0.0398","","","","","1.16","1.16","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006270","17.762","0.002","6.7914","0.0008","8.5267","0.0011","90","","90","","90","","1028.6","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","0.5","BK1307","Rath, Nigam P.; Gu, Hong; Murray, Robert W.","1-Acetyl-3-hydroxyadamantane and 1-Carboxy-3-hydroxyadamantane","Acta Crystallographica Section C","1997","53","7","944","946","10.1107/S010827019700245X","","","0.71073","MoKα","","0.0855","0.0551","","0.1581","0.1395","","","","1.04","1.146","1.146","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006271","6.675","0.006","20.767","0.019","7.109","0.007","90","","106.08","0.06","90","","946.9","1.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","BK1307","Rath, Nigam P.; Gu, Hong; Murray, Robert W.","1-Acetyl-3-hydroxyadamantane and 1-Carboxy-3-hydroxyadamantane","Acta Crystallographica Section C","1997","53","7","944","946","10.1107/S010827019700245X","","","0.71073","MoKα","","0.1438","0.065","","0.1473","0.1138","","","","1.051","1.201","1.201","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006272","11.188","0.001","4.746","0.001","23.012","0.002","90","0.01","92.05","0.01","90","0.01","1221.1","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","2-(2-thienylmethylidenehydrazino)quinoline","","- C14 H11 N3 S -","- C14 H11 N3 S -","- C56 H44 N12 S4 -","4","1","BK1314","Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F.","Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline","Acta Crystallographica Section C","1997","53","7","973","979","10.1107/S0108270197001212","","","0.71073","MoKα","","0.084","0.039","","","0.048","","","","","1.45","1.45","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006273","9.8543","0.0007","9.854","0.002","28.457","0.004","90","0.01","90","0.009","90","0.009","2763.3","0.7","293","","293","","","","","","","","","4","P 43 21 2","P 41n 2abw","","","2-(methyl(2-thienyl)methylidenehydrazino)quinoline","","- C15 H13 N3 S -","- C15 H13 N3 S -","- C120 H104 N24 S8 -","8","1","BK1314","Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F.","Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline","Acta Crystallographica Section C","1997","53","7","973","979","10.1107/S0108270197001212","","","0.71073","MoKα","","0.119","0.037","","","0.043","","","","","1.242","1.242","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006274","9.585","0.0007","9.585","0.001","29.939","0.004","90","0.01","90","0.008","90","0.008","2750.6","0.5","293","","293","","","","","","","","","5","P 41 21 2","P 43n 2nw","","","2-(5-bromothien-2-ylmethylidenehydrazono)quinoline","","- C14 H10 Br N3 S -","- C14 H10 Br N3 S -","- C112 H80 Br8 N24 S8 -","8","1","BK1314","Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F.","Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline","Acta Crystallographica Section C","1997","53","7","973","979","10.1107/S0108270197001212","","","0.71073","MoKα","","0.065","0.026","","","0.033","","","","","1.06","1.06","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006275","4.6689","0.0008","11.603","0.001","23.744","0.002","90","0.008","90","0.01","90","0.01","1286.3","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","2-(5-chlorothien-2-ylmethylidenehydrazino)quinoline","","- C14 H10 Cl N3 S -","- C14 H10 Cl N3 S -","- C56 H40 Cl4 N12 S4 -","4","1","BK1314","Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F.","Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline","Acta Crystallographica Section C","1997","53","7","973","979","10.1107/S0108270197001212","","","0.71073","MoKα","","0.041","0.027","","","0.038","","","","","1.38","1.38","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006276","6.904","0.003","8.431","0.003","9.555","0.006","111.21","0.04","92.02","0.04","107.74","0.04","487.2","0.5","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H10 N4 O -","- C9 H10 N4 O -","- C18 H20 N8 O2 -","2","1","BM1034","Cunningham, Ian D.; Wan, Nan Chi; Povey, David C.; Smith, Gallienus W.; Cox, Brian G.","<i>N</i>-Cyano-<i>N</i>'-(4-methoxyphenyl)guanidine","Acta Crystallographica Section C","1997","53","7","984","985","10.1107/S0108270197003065","","","0.71073","MoKα","","","0.058","","","0.076","","","","","1.026","1.026","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006277","8.5261","0.0007","10.012","0.0007","10.2216","0.0014","90","","90","","90","","872.55","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(N-Boc-amino)acetonitrile","","- C7 H12 N2 O2 -","- C7 H12 N2 O2 -","- C28 H48 N8 O8 -","4","1","BM1121","Sood, Geeta; Schwalbe, Carl H.; Fraser, William","(<i>tert</i>-Butoxycarbonylamino)acetonitrile","Acta Crystallographica Section C","1997","53","7","959","961","10.1107/S0108270197002795","","","1.54178","CuKα","","0.0295","0.0286","","0.0843","0.0831","","","","1.084","1.082","1.082","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006278","14.397","0.008","7.818","0.004","10.506","0.006","90","","99.7","0.03","90","","1165.6","1.1","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ibuprofen","2-(4-Isobutylphenyl)propanoic acid","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","BM1126","Shankland, Norman; Wilson, Chick C.; Florence, Alastair J.; Cox, Philip J.","Refinement of Ibuprofen at 100 K by Single-Crystal Pulsed Neutron Diffraction","Acta Crystallographica Section C","1997","53","","951","954","10.1107/S0108270197003193","","","","","","","0.077","","","0.053","","","","","","","","","","","has coordinates","202021","2020-10-21","18:00:00",""
"2006279","9.186","0.002","22.603","0.006","13.685","0.003","90","","101.6","0.01","90","","2783.4","1.1","143","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(η^6^‒toluene)thallium(I)7,8,9,10,11,12-hexabromo-closo-1-carbaun- decaborate","","- C15 H22 B11 Br6 Tl -","- C15 H22 B11 Br6 Tl -","- C60 H88 B44 Br24 Tl4 -","4","1","BM1128","Mathur, Rajeev S.; Drovetskaya, Tatiana; Reed, Christopher A.","Bis(η^6^-toluene)thallium(I) 7,8,9,10,11,12-Hexabromo-<i>closo</i>-1-carbadodecaborate: a Halocarborane-Bridged Dimer with Heavy Metal‒Arene Interactions","Acta Crystallographica Section C","1997","53","7","881","883","10.1107/S010827019700320X","","","0.71073","MoKα","","0.0741","0.0439","","0.0923","0.082","","","","0.843","1.034","1.034","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006280","15.24","0.002","17.22","0.002","7.8492","0.0008","90.236","0.01","104.33","0.01","79.41","0.01","1960","0.4","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 N3 O2 S -","- C21 H25 N3 O2 S -","- C84 H100 N12 O8 S4 -","4","2","BM1130","Helliwell, Madeleine; Zhao, Yuekun; Joule, John A.","An Atypical Conformation of a Toluenesulfonamide","Acta Crystallographica Section C","1997","53","7","884","886","10.1107/S0108270197001492","","","0.7107","MoKα","","0.1037","0.0477","","0.0386","0.0343","","","","1.731","2.024","2.024","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006281","9.616","0.002","10.672","0.002","12.344","0.003","112.87","0.002","100.174","0.003","90.257","0.002","1145.1","0.4","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Cd N6 Ni2 O10 -","- C44 H52 Cd N6 Ni2 O10 -","- C44 H52 Cd N6 Ni2 O10 -","1","0.5","BM1135","Ülkü, Dinçer; Tahir, M. Nawaz; Atakol, Orhan; Nazir, Hasan","Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato](<i>N</i>,<i>N</i>-dimethylformamide)nickel(II)}cadmium(II)","Acta Crystallographica Section C","1997","53","7","872","874","10.1107/S0108270197002047","","","0.71073","MoKα","","","0.022","","","0.031","","","","","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006282","8.97","0.02","18.89","0.03","8.355","0.008","90","","90","","90","","1416","4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Tetraethyleneneglycol succinate","","- C12 H20 O7 -","- C12 H20 O7 -","- C48 H80 O28 -","4","1","BM1137","Cronin, Leroy; Moore, Madeleine H.; Semlyen, J. Anthony; Wood, Barry R.","A Cyclic Monomer of Tetraethyleneglycol Succinate","Acta Crystallographica Section C","1997","53","7","940","942","10.1107/S0108270197002928","","","0.71069","MoKα","","0.1552","0.0527","","0.3111","0.1395","","","","1.053","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006283","10.838","0.002","18.347","0.004","8.948","0.001","90","","103.34","0.01","90","","1731.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 Ni O2 -","- C19 H21 N2 Ni O2 -","- C76 H84 N8 Ni4 O8 -","4","1","BM1142","Kabak, Mehmet; Elmali, Ayhan; Elerman, Yalçın","[<i>N</i>-(2-Hydroxybenzyl)salicylaldiminato](piperidine)nickel(II)","Acta Crystallographica Section C","1997","53","7","868","870","10.1107/S0108270197004174","","","0.71073","MoKα","","0.0497","0.0433","","0.1289","0.1233","","","","0.736","0.759","0.759","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006284","7.389","0.001","16.073","0.003","12.161","0.002","90","","106.1","0.03","90","","1387.6","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(20S)-6β-methoxy-20-(p-toluenesulfonoxymethyl)-3α,5- cyclo-5α-pregnane","","- C30 H44 O4 S -","- C30 H44 O4 S -","- C60 H88 O8 S2 -","2","1","BM1146","Ketuly, Kamal A.; Yufit, Dmitrii S.; Brooks, Charles J.W.; Freer, Andrew A.","(20<i>S</i>)-6β-Methoxy-20-(<i>p</i>-toluenesulfonyloxymethyl)-3α,5-cyclo-5α-pregnane","Acta Crystallographica Section C","1997","53","7","981","982","10.1107/S0108270197003570","","","0.71069","MoKα","","0.0942","0.0395","","0.119","0.0948","","","","1.025","1.071","1.071","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006285","5.335","0.003","7.144","0.004","12.438","0.004","90","","90","","90","","474.1","0.4","298","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca2 F Na O4 Si -","- Ca1.92 F Na1.08 O4 Si -","- Ca7.68 F4 Na4.32 O16 Si4 -","4","0.5","BR1103","Andaχ c, Ö.; Glasser, F. P.; Howie, R. A.","Dicalcium Sodium Fluoride Silicate","Acta Crystallographica Section C","1997","53","7","831","833","10.1107/S0108270197000449","","","0.71073","MoKα","","","0.047","","","0.06","","","","","0.81","0.81","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006286","18.4783","0.0005","6.5523","0.0002","8.4268","0.0003","90","","91.132","0.002","90","","1020.08","0.06","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetramethylammonium trivanadius heptaoxide","","- C4 H12 N O7 V3 -","- C4 N O7 V3 -","- C16 N4 O28 V12 -","4","1","BR1166","Zavalij, Peter Y.; Chirayil, Thomas; Whittingham, M. Stanley","Layered Tetramethylammonium Vanadium Oxide [N(CH~3~)~4~]V~3~O~7~ by X-ray Rietveld Refinement","Acta Crystallographica Section C","1997","53","7","879","881","10.1107/S0108270197000474","","","1.54178","CuKα","","","0.078","","0.094","0.094","","","","","","","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006287","6.661","0.001","13.652","0.002","15.613","0.002","90","","94.281","0.002","90","","1415.8","0.3","15","","15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 D8 S8 -","- C10 D8 S8 -","- C40 D32 S32 -","4","1","BR1170","Dianna M. Young; Arthur J. Schultz; Aravinda M. Kini; Jack M. Williams","Isotopically Substituted Bis(ethylenedithio)tetrathiafulvalene at 15K by Time-of-Flight Neutron Diffraction","Acta Crystallographica Section C","1997","53","7","961","963","10.1107/S0108270197003077","","neutron","","Pulsedneutron","","","0.062","","","0.058","","","","","1.2","1.2","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006288","7.0565","0.0007","7.0565","0.0007","25.371","0.004","90","","90","","90","","1263.3","0.3","153","2","153","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Ba3 S7 Zr2 -","- Ba3 S7 Zr2 -","- Ba12 S28 Zr8 -","4","0.25","BR1173","Yi-Chung Hung; James C. Fettinger; Bryan W. Eichhorn","Ba~3~Zr~2~S~7~, the Low-Temperature Polymorph","Acta Crystallographica Section C","1997","53","7","827","829","10.1107/S0108270197003089","","","0.71073","MoKα","","0.0591","0.0366","","0.0937","0.0846","","","","1.027","1.129","1.129","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006289","16.1059","0.0004","11.5721","0.0002","17.6135","0.0003","90","","90","","90","","3282.79","0.11","296","","","","","","","","","","","5","P b c a","","","","","","- C18 H18 Cu N2 O2 -","- C18 H18 Cu N2 O2 -","- C144 H144 Cu8 N16 O16 -","8","1","CF1145","Jem-Mau Lo; Hsueh-Hua Yao; Fen-Ling Liao; Sue-Lein Wang; Tian-Huey Lu","[<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,2-diimino-2-methylpropane]copper(II)","Acta Crystallographica Section C","1997","53","7","848","850","10.1107/S010827019700262X","","","0.71073","MoKα","","","0.0343","","","0.0408","","","","","0.99","0.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006290","18.848","0.004","14.692","0.003","7.333","0.002","90","","92.58","0.03","90","","2028.6","0.8","293.2","","293.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 F12 N4 P2 Pt -","- C12 H16 F12 N4 P2 Pt0.5 -","- C48 H64 F48 N16 P8 Pt2 -","4","0.5","CF1148","Kato, Masako; Kosuge, Chizuko; Yano, Shigenobu; Kimura, Masaru","π-Stacking of [Pt(2,2'-bipyridine)(ethylenediamine)]^2+^ as its Hexafluorophosphate Salt","Acta Crystallographica Section C","1997","53","7","838","840","10.1107/S0108270197002618","","","0.71073","MoKα","","","0.0406","","","0.0511","","","","","1.044","1.044","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006291","10.732","0.002","8.945","0.001","10.145","0.001","90","","115.81","0.01","90","","876.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","E-3,5-Dichloro-3,5-bis(chloromethyl)-1,2,4-trioxolane","","- C4 H4 Cl4 O3 -","- C4 H4 Cl4 O3 -","- C16 H16 Cl16 O12 -","4","1","CF1150","Griesbaum, Karl; McCullough, Kevin J.; Perner, Iris; Quinkert, Ralf-Olaf; Rosair, Georgina M.","(<i>E</i>)-3,5-Dichloro-3,5-bis(chloromethyl)-1,2,4-trioxolane","Acta Crystallographica Section C","1997","53","7","911","913","10.1107/S0108270197003661","","","0.71073","MoKα","","0.0487","0.0362","","0.095","0.0873","","","","1.061","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006292","13.301","0.002","32.674","0.006","20.381","0.005","90","","91.29","0.02","90","","8855","3","210","0.2","210","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[N-(2,6-Diisopropylphenyl)imido-N] bis[N-(2,6-Diisopropylphenyl)amido-N] bis(pyridine-N) zirconium","","- C46 H63 N5 Zr -","- C46 H63 N5 Zr -","- C368 H504 N40 Zr8 -","8","2","CF1159","Blake, Alexander J.; Nikonov, Georgii I.; Mountford, Philip","Bis[<i>N</i>-(2,6-diisopropylphenyl)amido][<i>N</i>-(2,6-diisopropylphenyl)imido]bis(pyridine-<i>N</i>)zirconium","Acta Crystallographica Section C","1997","53","7","874","876","10.1107/S0108270197002606","","","0.71073","MoKα","","0.1324","0.0987","","0.1126","0.0981","","","","","1.14","1.14","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006293","10.161","0.002","15.585","0.003","12.519","0.003","90","","103.95","0.02","90","","1924","0.7","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3-diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine","","- C25 H26 N2 -","- C25 H26 N2 -","- C100 H104 N8 -","4","1","DE1050","Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng","1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives","Acta Crystallographica Section C","1997","53","7","956","959","10.1107/S0108270197002746","","","0.71069","MoKα","","0.069","0.047","","0.042","0.041","","","","","4.03","4.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006294","10.196","0.001","15.478","0.001","12.664","0.003","90","","106.36","0.01","90","","1917.6","0.5","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Diphenyl-2-tricyclo[3,3,1,1^3,7^]dec -2-ylidenepropane-1-imino-3-one","","- C25 H25 N O -","- C25 H25 N O -","- C100 H100 N4 O4 -","4","1","DE1050","Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng","1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives","Acta Crystallographica Section C","1997","53","7","956","959","10.1107/S0108270197002746","","","0.71069","MoKα","","0.08","0.043","","0.034","0.033","","","","","2.8","2.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006295","15.46","0.007","10.128","0.002","12.68","0.003","90","","101.67","0.02","90","","1944.4","1.1","298","","298","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","1,3-Diphenyl-2-tricyclo[3,3,1,1^3,7^]dec -2-ylidenepropane-1,3-dione","","- C25 H24 O2 -","- C25 H24 O2 -","- C100 H96 O8 -","4","0.5","DE1050","Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng","1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives","Acta Crystallographica Section C","1997","53","7","956","959","10.1107/S0108270197002746","","","0.71069","MoKα","","0.068","0.048","","0.042","0.042","","","","","4.7","4.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006296","8.293","0.001","9.589","0.002","22.698","0.004","90","","90","","90","","1805","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6α,7β-dihydroxyvouacapan-17β-oic acid","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","FG1165","Ruggiero, Silvana Guilardi; Rodrigues, Bernardo Lages; Fernandes, Nelson Goncalves; Stefani, Guglielmo Marconi; Veloso, Dorila Pilo","6α,7β-Dihydroxyvouacapan-17β-oic Acid","Acta Crystallographica Section C","1997","53","7","982","984","10.1107/S0108270196014904","","","0.71073","MoKα","","0.075","0.0492","","0.1581","0.1357","","","","1.216","1.215","1.215","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006297","19.239","0.003","10.5","0.002","15.696","0.002","90","","90","","90","","3170.7","0.9","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Cyclotetra[iodo-methylcyclopentadienyl-μ-oxo-titanium (IV)]","","- C24 H28 I4 O4 Ti4 -","- C24 H28 I4 O4 Ti4 -","- C96 H112 I16 O16 Ti16 -","4","1","FG1201","Kienitz, Carsten O.; Thöne, Carsten; Jones, Peter G.","<i>cyclo</i>-Tetrakis(μ-oxo)tetrakis[iodo(η^5^-methylcyclopentadienyl)titanium(IV)]","Acta Crystallographica Section C","1997","53","7","843","845","10.1107/S0108270196007524","","","0.71073","MoKα","","0.1167","0.0766","","0.186","0.1578","","","","1.018","1.046","1.046","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006298","7.638","0.002","10.603","0.003","14.364","0.005","107.63","0.02","94.57","0.02","107.12","0.02","1041.2","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","bis(phenyl)-1-carbamoylguanidinium phenylcarbamidonitrilate","","- C22 H21 N7 O2 -","- C22 H21 N7 O2 -","- C44 H42 N14 O4 -","2","1","FG1255","Frank H. Herbstein; Moshe Kapon; Quin-Chuang Yang","Bis(phenyl)-1-carbamoylguanidinium <i>N</i>-Phenylcarbamidonitrilate. Revision of an Earlier Proposal","Acta Crystallographica Section C","1997","53","7","922","925","10.1107/S0108270197003259","","","0.71073","MoKα","","0.0519","0.0389","","0.1007","0.092","","","","1.062","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006299","17.489","0.01","5.415","0.004","21.805","0.012","90","","95.08","0.02","90","","2057","2","178","2","178","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis-1-Cyclohexyl-6-methylene-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan- 4-methyl 3'5'-Dintrobenzoate","","- C22 H24 N2 O7 -","- C22 H24 N2 O7 -","- C88 H96 N8 O28 -","4","1","FG1257","Lautens, Mark; Lough, Alan J.; Ren, Yi","(<i>cis</i>-1-Cyclohexyl-6-methylene-3,5,6,6a-tetrahydro-1<i>H</i>-cyclopenta[<i>c</i>]furan-4-yl)methyl 3,5-Dinitrobenzoate","Acta Crystallographica Section C","1997","53","7","936","938","10.1107/S0108270197000917","","","0.71073","MoKα","","0.216","0.076","","0.1038","0.0832","","","","1.141","1.65","1.65","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006300","6.988","0.001","11.254","0.001","11.48","0.002","90","","102.06","0.01","90","","882.9","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-4-Androsten-3-one-17β-carboxylic Acid","(+)-3-Oxoandrost-4-ene-17β-carboxylic Acid","","- C20 H28 O3 -","- C20 H28 O3 -","- C40 H56 O6 -","2","1","FG1258","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(+)-3-Oxoandrost-4-ene-17β-carboxylic Acid: Catemeric Hydrogen Bonding in a Steroidal Keto Acid","Acta Crystallographica Section C","1997","53","7","903","906","10.1107/S0108270197002515","","","0.71073","MoKα","","0.088","0.053","","0.13","0.113","","","","1.02","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006301","9.994","0.002","4.798","0.002","24.16","0.003","90","","92.94","0.02","90","","1157","0.6","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","benzene-1,3,5-triacetic acid","","","- C12 H12 O6 -","- C12 H12 O6 -","- C48 H48 O24 -","4","1","FG1266","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Interwoven Hydrogen-Bonding Networks in Benzene-1,3,5-triacetic Acid","Acta Crystallographica Section C","1997","53","7","967","969","10.1107/S0108270197002886","","","0.71073","MoKα","","","0.057","","","0.093","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006302","7.52","0.003","12.03","0.003","13.789","0.005","73.25","0.03","89.47","0.02","89.82","0.02","1194.5","0.7","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","Heptaaquacalcium 1,2-Benzenedisulfonimide","","- C12 H22 Ca N2 O15 S4 -","- C12 H22 Ca N2 O15 S4 -","- C24 H44 Ca2 N4 O30 S8 -","2","1","FG1272","Moers, Oliver; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. LXXXIII. Heptaaquacalcium 1,2-Benzenedisulfonimide","Acta Crystallographica Section C","1997","53","7","845","848","10.1107/S0108270197002102","","","0.71073","MoKα","","0.0612","0.0424","","0.1068","0.0928","","","","1.045","1.048","1.048","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006303","19.515","0.003","5.8352","0.0009","22.854","0.003","90","","90.669","0.009","90","","2602.3","0.7","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Spiro[3-carboxy-1',3'-dihydro-2-methyl-6-oxo-2-cyclohexene-1,2'-[2H]indene]","","- C16 H16 O3 -","- C16 H16 O3 -","- C128 H128 O24 -","8","1","FG1273","Lalancette, Roger A.; Thompson, Hugh W.; Coté, Marie L.","Hydrogen-Bonding Pattern of an α,β-Unsaturated δ-Keto Acid: 1',3'-Dihydro-2-methyl-6-oxospiro[2-cyclohexene-1,2'-2'<i>H</i>-indene]-3-carboxylic Acid","Acta Crystallographica Section C","1997","53","7","901","903","10.1107/S0108270197003260","","","0.71073","MoKα","","0.092","0.0555","","0.148","0.1328","","","","0.904","1.069","1.069","","","","","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",""
"2006305","19.578","0.005","14.508","0.003","7.979","0.002","90","","106.21","0.02","90","","2176.2","0.9","178","2","178","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","1,2,3,4,5,6-hexakispropylidene-cyclohexane","","- C24 H36 -","- C24 H36 -","- C96 H144 -","4","0.5","FG1289","Jones, Peter G.; Bubenitschek, Peter; Höpfner, Thomas; Hopf, Henning","All-<i>E</i>-7,8,9,10,11,12-hexaethyl[6]radialene","Acta Crystallographica Section C","1997","53","7","920","921","10.1107/S0108270197003582","","","0.71073","MoKα","","0.1408","0.0635","","0.2205","0.1576","","","","1.008","0.996","0.996","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006306","12.614","0.004","6.607","0.002","12.921","0.004","90","","94.59","0.03","90","","1073.4","0.6","143","2","143","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3,4-Diido-2,5-dimethylhexa-2,4-diene","","- C8 H12 I2 -","- C8 H12 I2 -","- C32 H48 I8 -","4","0.5","FG1291","Jones, Peter G.; Bubenitschek, Peter; Höpfner, Thomas; Hopf, Henning","3,4-Diiodo-2,5-dimethylhexa-2,4-diene","Acta Crystallographica Section C","1997","53","7","918","920","10.1107/S0108270197003594","","","0.71073","MoKα","","0.0228","0.0215","","0.0552","0.054","","","","1.109","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006307","27.001","0.002","27.001","0.002","21.525","0.004","90","","90","","120","","13590","3","173","","173","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C26 H36 I N2 Nd Si2 -","- C26 H36 I N2 Nd Si2 -","- C468 H648 I18 N36 Nd18 Si36 -","18","0.5","FR1006","Clark, David L.; Gordon, John C.; Scott, Brian L.; Watkin, John G.","Iodobis(pyridine-<i>N</i>)bis(η^5^-trimethylsilylcyclopentadienyl)neodymium","Acta Crystallographica Section C","1997","53","7","850","852","10.1107/S0108270196014552","","","0.71073","MoKα","","0.0254","0.0197","","0.043","0.0413","","","","1.058","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006308","8.101","0.002","10.321","0.002","11.145","0.002","65.96","0.03","72.4","0.03","65.93","0.03","766.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 Cl O3 -","- C17 H15 Cl O3 -","- C34 H30 Cl2 O6 -","2","1","FR1013","Aygün, Muhi̇tti̇n; Işik, Şami̇l; Şaşmaz, Selami̇; Tahi̇r, M. Nawaz; Erdönmez, Ahmet; Büyükgüngör, Orhan","1-(4-Chlorobenzoyloxy)-2-methoxy-4-(2-propenyl)benzene","Acta Crystallographica Section C","1997","53","7","897","899","10.1107/S0108270197000553","","","0.7107","MoKα","","0.0736","0.0658","","0.1883","0.1785","","","","1.084","1.13","1.13","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006309","10.033","0.009","20.54","0.018","15.464","0.017","90","","94.14","0.07","90","","3178","5","294","1","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Bis(tributylphosphine-1κP)-tetra(benzyl-1κC)-octa- μ3-chloro-octahedro-hexamolybdenum(12 Mo-Mo)","","- C52 H82 Cl8 Mo6 P2 -","- C52 H82 Cl8 Mo6 P2 -","- C104 H164 Cl16 Mo12 P4 -","2","0.5","FR1022","Yamagata, Tsuneaki; Okiyama, Hiroshi; Imoto, Hideo; Saito, Taro","<i>trans</i>-[(Mo~6~Cl~8~)(C~7~H~7~)~4~{P(<i>n</i>-C~4~H~9~)~3~}~2~] and <i>trans</i>-[(Mo~6~Cl~8~)(C~8~H~5~)~4~{P(<i>n</i>-C~5~H~11~)~3~}~2~].2C~7~H~8~","Acta Crystallographica Section C","1997","53","7","859","862","10.1107/S0108270197002266","","","0.71069","Mo_Kα","","","0.062","","","0.0452","","","","","1.111","1.111","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006310","25.241","0.006","10.962","0.001","15.18","0.002","90","","98.78","0.02","90","","4151","1.2","294","1","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H102 Cl8 Mo6 P2 -","- C76 H102 Cl8 Mo6 P2 -","- C152 H204 Cl16 Mo12 P4 -","2","0.5","FR1022","Yamagata, Tsuneaki; Okiyama, Hiroshi; Imoto, Hideo; Saito, Taro","<i>trans</i>-[(Mo~6~Cl~8~)(C~7~H~7~)~4~{P(<i>n</i>-C~4~H~9~)~3~}~2~] and <i>trans</i>-[(Mo~6~Cl~8~)(C~8~H~5~)~4~{P(<i>n</i>-C~5~H~11~)~3~}~2~].2C~7~H~8~","Acta Crystallographica Section C","1997","53","7","859","862","10.1107/S0108270197002266","","","0.71069","Mo_Kα","","","0.057","","","0.0451","","","","","1.205","1.205","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006311","8.567","0.002","12.189","0.002","12.557","0.003","90","","98.05","0.03","90","","1298.3","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","trans,cis,cis,cis-[5,5,5,5]fenestrane","rel-(4S,6R,9S,11S)-1-hydroxy-16-methyl-14-oxapentacyclo- [7.4.3.0^4,15^.0^11,15^.0^6,16^]hexadeca-7-ene","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","1","FR1026","Wender, Paul A.; deLong, Mitch A.; Wireko, Fred C.","Novel Oxidative Rearrangement Product of the First <i>trans</i>,<i>cis</i>,<i>cis</i>,<i>cis</i>-[5.5.5.5]Fenestrane Derivative","Acta Crystallographica Section C","1997","53","7","954","956","10.1107/S0108270197002278","","","1.54059","CopperKα","","0.0504","0.0469","","0.1257","0.1226","","","","1.08","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006312","10.028","0.006","13.118","0.007","7.321","0.005","90","","107.33","0.04","90","","919.3","1","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Mn N2 O6 -","- C20 H16 Mn N2 O6 -","- C40 H32 Mn2 N4 O12 -","2","0.5","FR1028","Okabe, Nobuo; Koizumi, Makiko","Diaquabis(2-quinolinecarboxylato-<i>N</i>,<i>O</i>)manganese(II)","Acta Crystallographica Section C","1997","53","7","852","854","10.1107/S0108270197002801","","","0.71069","MoKα","","","0.035","","","0.043","","","","","1.67","1.67","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006313","21.574","0.001","4.5576","0.0009","17.039","0.002","90","","104.238","0.005","90","","1623.9","0.4","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","","Methyl 2-aza-2-deoxy-4,6-di-O-methyl-2-N-(p-nitrophenylamino)-β-D-erythro- hexopyranosid-3-ulose.","","- C14 H19 N3 O7 -","- C14 H19 N3 O7 -","- C56 H76 N12 O28 -","4","1","HA1186","Bernardinelli, Gérald; Tronchet, Jeannine F.; Tronchet, Jean M.J.","Methyl 2-Aza-2-deoxy-4,6-di-<i>O</i>-methyl-2-<i>N</i>-(<i>p</i>-nitrophenylamino)-β-<small>D</small>-<i>erythro</i>-hexopyranosid-3-ulose","Acta Crystallographica Section C","1997","53","7","950","951","10.1107/S0108270197002345","","","1.5418","CuKα","","0.12","0.076","","0.083","0.074","","","","2.172","2.342","2.342","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006314","7.956","0.001","8.456","0.003","24.587","0.004","90","","96.15","0.02","90","","1644.6","0.7","298.2","","298.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cl N3 O2 -","- C18 H14 Cl N3 O2 -","- C72 H56 Cl4 N12 O8 -","4","1","HA1188","Daniel E. Bacelo; Osvaldo Cox; Luis A. Rivera; Marisol Cordero; Songping D. Huang","(<i>E</i>,<i>Z</i>)-2-(2-Chloro-5-nitrostyryl)-1-(1-propenyl)benzimidazole","Acta Crystallographica Section C","1997","53","7","907","909","10.1107/S0108270197004071","","","0.7107","MoKα","","","0.0538","","","0.0731","","","","","1.626","1.626","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006315","14.025","0.002","14.025","0.002","14.025","0.002","90","","90","","90","","2758.7","0.7","293","","293","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Be4 N6 O19 -","- Be4 N6 O19 -","- Be32 N48 O152 -","8","0.333333","JZ1166","Haley, Martin J.; Wallwork, Stephen C.; Duffin, Bryan; Logan, Norman; Addison, C. Clifford","Hexa-μ-nitrato-μ~4~-oxo-tetraberyllium","Acta Crystallographica Section C","1997","53","7","829","830","10.1107/S010827019700303X","","","1.54184","CuKα","","","0.047","","","0.025","","","","","1.076","1.076","","","","","has coordinates","207077","2020-10-21","18:00:00",""
"2006316","7.254","0.004","11.914","0.002","14.953","0.002","90","","100.34","0.03","90","","1271.3","0.8","295.2","","295.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Cl N3 O3 -","- C11 H14 Cl N3 O3 -","- C44 H56 Cl4 N12 O12 -","4","1","JZ1177","Chunqiu P. Lai; Liu Bo; Songping D. Huang","4-Amino-2-chloro-6,7-dimethoxyquinazoline Methanol Solvate","Acta Crystallographica Section C","1997","53","7","906","907","10.1107/S0108270197001236","","","0.7107","MoKα","","","0.0416","","","0.0546","","","","","1.484","1.484","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006317","9.933","0.002","17.111","0.003","12.076","0.002","90","","108.21","0.02","90","","1949.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-bromo-μ-cyclohexylphosphido-bis(tetracarbonylmanganese)","","- C14 H12 Br Mn2 O8 P -","- C14 H12 Br Mn2 O8 P -","- C56 H48 Br4 Mn8 O32 P4 -","4","1","KA1213","Flörke, Ulrich; Haupt, Hans-Jürgen","μ-Bromo-μ-cyclohexylphosphido-bis(tetracarbonylmanganese) and μ-Bromo-μ-(pentacarbonylmanganese)phosphido-bis(tetracarbonylmanganese)","Acta Crystallographica Section C","1997","53","7","876","879","10.1107/S0108270197000735","","","0.71073","MoKα","","0.1277","0.0448","","0.0994","0.0723","","","","1.032","1.069","1.069","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2006318","8.735","0.002","8.953","0.001","13.837","0.004","81.57","0.02","84.59","0.02","74.68","0.02","1030.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","μ-bromo-μ-(pentacarbonylmanganese)phosphido-bis(tetracarbonylmanganese)","","- C13 H Br Mn3 O13 P -","- C13 H Br Mn3 O13 P -","- C26 H2 Br2 Mn6 O26 P2 -","2","1","KA1213","Flörke, Ulrich; Haupt, Hans-Jürgen","μ-Bromo-μ-cyclohexylphosphido-bis(tetracarbonylmanganese) and μ-Bromo-μ-(pentacarbonylmanganese)phosphido-bis(tetracarbonylmanganese)","Acta Crystallographica Section C","1997","53","7","876","879","10.1107/S0108270197000735","","","0.71073","MoKα","","0.0616","0.0398","","0.0951","0.0861","","","","1.018","1.067","1.067","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2006319","10.579","0.001","18.1356","0.0009","17.507","0.002","90","","106.044","0.006","90","","3228","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(dicyclohexylammonium) 2,6-pyridinedicarboxylate dihydrate","","- C31 H55 N3 O6 -","- C31 H55 N3 O6 -","- C124 H220 N12 O24 -","4","1","KH1129","Ng, Seik Weng","Bis(dicyclohexylammonium) 2,6-Pyridinedicarboxylate Dihydrate","Acta Crystallographica Section C","1997","53","7","986","987","10.1107/S010827019700293X","","","0.71073","MoKα","","0.1082","0.0672","","0.1953","0.1748","","","","1.107","1.317","1.317","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006320","7.929","0.001","11.001","0.002","12.436","0.002","75.54","0.01","83.54","0.01","89.78","0.01","1043.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N O6 S -","- C23 H21 N O6 S -","- C46 H42 N2 O12 S2 -","2","1","KH1141","Lakshmanan Govindasamy; Velmurugan, D.; Ravikumar, K.; Mohanakrishnan, A.K.","Ethyl 4,6-Dimethoxy-9-phenylsulfonylcarbazole-3-carboxylate","Acta Crystallographica Section C","1997","53","7","929","931","10.1107/S010827019700351X","","","0.71073","MoKα","","0.046","0.0383","","0.128","0.111","","","","0.626","0.598","0.598","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006321","26.162","0.007","26.162","0.007","13.633","0.005","90","","90","","120","","8081","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","tetrakis(μ-benzoato-O:O')-bis(urea-O')dicopper(II),","","- C30 H28 Cu2 N4 O10 -","- C30 H28 Cu2 N4 O10 -","- C270 H252 Cu18 N36 O90 -","9","0.5","MU1294","Leban, Ivan; Grgurevič, Nikolaj; Sieler, Joachim; Šegedin, Primož","Tetrakis(μ-benzoato-<i>O</i>:<i>O</i>')bis(urea)-1κ<i>O</i>,2κ<i>O</i>-dicopper(II)","Acta Crystallographica Section C","1997","53","7","854","856","10.1107/S0108270197003387","","","0.71073","MoKα","","0.1588","0.0621","","0.2588","0.1985","","","","0.99","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006322","9.673","0.008","11.935","0.009","11.478","0.008","90","","105.22","","90","","1278.6","1.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H29 Cl3 Mo N2 O4 -","- C23 H28 Cl3 Mo N2 O4 -","- C46 H56 Cl6 Mo2 N4 O8 -","2","1","MU1300","Elias, Horst; Stock, Frank; Röhr, Caroline","A Dioxomolybdenum(VI) Complex with a New Enantiomerically Pure Tetrahydrosalen Ligand","Acta Crystallographica Section C","1997","53","7","862","864","10.1107/S0108270197003375","","","0.7107","MoKα","","0.0391","0.0389","","0.1014","0.101","","","","1.066","1.068","1.068","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006323","15.0089","0.0014","16.952","0.002","22.124","0.002","90","","96.172","0.006","90","","5596.4","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6,7-dihydro-8-(4-methyl-1-piperazinyl)[1]benzoxepino[4,5-c]quinoline","","- C22 H23.26 N3 O1.13 -","- C22 H23.2867 N3 O1.14333 -","- C264 H279.44 N36 O13.72 -","12","3","NA1266","Giorgi, Gianluca; Cappelli, Andrea; Anzini, Maurizio; Vomero, Salvatore; Marchetti, Fabio","Characterization of Quinoline Derivatives. I. 6,7-Dihydro-8-(4-methyl-1-piperazinyl)[1]benzoxepino[4,5-<i>c</i>]quinoline 0.13-Hydrate","Acta Crystallographica Section C","1997","53","7","987","990","10.1107/S0108270196014564","","","0.71073","MoKα","","0.1875","0.0694","","0.1628","0.1143","","","","0.934","1.212","1.212","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2006324","11.52","0.001","4.7","0.001","12.04","0.001","90","","95.44","0.01","90","","648.96","0.16","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C13 H24 N2 O -","- C13 H24 N2 O -","- C26 H48 N4 O2 -","2","0.5","NA1270","Govindasamy, L.; Subramanian, E.","<i>N</i>,<i>N</i>'-Dicyclohexylurea","Acta Crystallographica Section C","1997","53","7","927","928","10.1107/S0108270197003399","","","1.5418","CuKα","","0.123","0.0646","","0.1807","0.161","","","","0.93","1.127","1.127","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006325","10.956","0.001","14.626","0.001","7.606","0.001","93.66","0.01","92.06","0.01","92.59","0.01","1214.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N2 O6 S2 -","- C26 H22 N2 O6 S2 -","- C52 H44 N4 O12 S4 -","2","1","NA1278","Subramanian, E.; Govindasamy, L.; Ravichandran, K.","<i>trans</i>-Methyl 2,9-Bis(phenylsulfonyl)-1,2,3,4-tetrahydro-4-β-carbolinylideneacetate","Acta Crystallographica Section C","1997","53","7","925","927","10.1107/S010827019700228X","","","0.71069","MoKα","","0.0798","0.0435","","0.1657","0.1037","","","","1.074","0.833","0.833","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006326","9.826","0.002","17.899","0.004","10.307","0.002","90","","115.56","0.03","90","","1635.3","0.7","291","1","291","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,7-Bis[4'-chlorophenyl]-3,8-dihydro-1,2,5,6-dithiadiazocine","","- C16 H12 Cl2 N2 S2 -","- C16 H12 Cl2 N2 S2 -","- C64 H48 Cl8 N8 S8 -","4","1","NA1282","Beate M. Rymarczyk; Hans Preut; Richard P. Kreher","An Eight-Membered N,N,S,S-Heterocyclic Compound: 4,7-Bis(4-chlorophenyl)-3,8-dihydro-1,2,5,6-dithiadiazocine","Acta Crystallographica Section C","1997","53","7","931","933","10.1107/S0108270197002588","","","0.71069","MoKα","","0.0908","0.0629","","0.177","0.1637","","","","0.988","1.166","1.166","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006327","8.8496","0.0013","14.8198","0.0019","8.3661","0.0014","90","","92.221","0.005","90","","1096.4","0.3","295","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl6 O2 -","- C18 H22 Cl6 O2 -","- C36 H44 Cl12 O4 -","2","1","NA1283","Ülkü, Dinçer; Tahir, M. Nawaz; Demir, Ayhan S.; Akhmedov, Idris, M.; Tanyeli, Cihangir","Configuration of the Diels‒Alder Adduct of Hexachlorocyclopentadiene with <small>L</small>-Menthyl Acrylate","Acta Crystallographica Section C","1997","53","7","899","901","10.1107/S0108270197003533","","","0.71069","MoKα","","","0.049","","","0.056","","","","","1.18","1.18","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006328","9.672","0.003","9.672","0.003","9.834","0.003","90","","90","","120","","796.7","0.4","298","","298","","","","","","","","","5","P -3","-P 3","147","manganese fluorosilicate hexahydrate","manganese hexafluorosilicate-water (1/6)","","- F6 H12 Mn O6 Si -","- F6 H12 Mn O6 Si -","- F18 H36 Mn3 O18 Si3 -","3","0.5","OH1098","Torii, Akira; Ogawa, Kazuhide; Tamura, Hatsue; Osaki, Kenji","Room-Temperature Form of Manganese Hexafluorosilicate Hexahydrate: a New Model with Submicroscopic Twinning","Acta Crystallographica Section C","1997","53","7","833","836","10.1107/S0108270196015454","","","1.5418","CuKα","","","0.04","","","0.04","","","","","1.39","1.39","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006329","5.7009","0.0008","10.509","0.002","9.42","0.002","123.78","0.01","102.66","0.01","94.08","0.01","444.53","0.16","293","","293","","","","","","","","","2","P -1","-P 1","2","","","","- C18 F16 -","- C18 F16 -","- C18 F16 -","1","0.5","PA1195","Swenson, Dale C.; Morken, Peter A.; Burton, Donald J.","Three <i>trans</i>-Diphenylperfluorotrienes","Acta Crystallographica Section C","1997","53","7","946","950","10.1107/S0108270197000504","","","0.71073","MoKα","","0","0.053","","","0.061","","","","","1.031","1.031","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006330","5.899","0.0007","9.509","0.001","9.304","0.001","102.75","0.01","94.62","0.01","115.92","0.01","448.4","0.1","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H10 F10 -","- C20 H10 F10 -","- C20 H10 F10 -","1","0.5","PA1195","Swenson, Dale C.; Morken, Peter A.; Burton, Donald J.","Three <i>trans</i>-Diphenylperfluorotrienes","Acta Crystallographica Section C","1997","53","7","946","950","10.1107/S0108270197000504","","","1.54184","CuKα","","0","0.042","","","0.067","","","","","1.194","1.194","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006331","10.2071","","17.6882","","5.9376","","90","","97.52","","90","","1062.79","","291","","291","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F14 -","- C22 H10 F14 -","- C44 H20 F28 -","2","0.5","PA1195","Swenson, Dale C.; Morken, Peter A.; Burton, Donald J.","Three <i>trans</i>-Diphenylperfluorotrienes","Acta Crystallographica Section C","1997","53","7","946","950","10.1107/S0108270197000504","","","0.71073","MoKα","","0","0.052","","","0.065","","","","","1.057","1.057","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006332","14.156","0.001","19.536","0.003","9.2244","0.0004","90","","105.01","0.003","90","","2464","0.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","di-μ-bromo-bis{[(2,4,6-tris-tert-butylphenyl)phosphanediylmethyl-P]phenyl)- dipalladium","","- C50 H68 Br2 P2 Pd2 -","- C50 H68 Br2 P2 Pd2 -","- C100 H136 Br4 P4 Pd4 -","2","0.5","PA1251","Chentit, Mostafa; Geoffroy, Michel; Bernardinelli, Gérald","Di-μ-bromo-bis{[(2,4,6-tris-<i>tert</i>-butylphenyl)phosphanediylmethyl-<i>P</i>]phenyl-<i>C</i>^2^}dipalladium","Acta Crystallographica Section C","1997","53","7","866","868","10.1107/S0108270197003235","","","1.54183","CuKα","","0.055","0.043","","0.035","0.034","","","","2.228","2.399","2.399","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006333","11.379","0.002","21.004","0.004","15.488","0.003","90","","94.26","0.03","90","","3691.5","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis bistriphenylphosphineimine dodecasulfurdiirion","","- C72 H60 Fe2 N2 P4 S12 -","- C72 H60 Fe2 N2 P4 S12 -","- C144 H120 Fe4 N4 P8 S24 -","2","0.5","QB0004","van Hal, Jaap W.; Whitmire, Kenton H.","Bis[bis(triphenylphosphine)iminium] Di-μ-thio-bis[(pentasulfido)ferrate(III)]","Acta Crystallographica Section C","1997","53","7","IUC9700008","","10.1107/S0108270197099484","","","0.71073","MoKα","","0.0701","0.0398","","0.1176","0.0946","","","","1.037","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006334","7.318","0.0015","5.673","0.0011","9.989","0.002","90","","110.79","0.03","90","","387.69","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","oxazolidinone","2-oxazolidinone","","- C3 H5 N O2 -","- C3 H5 N O2 -","- C12 H20 N4 O8 -","4","1","SK1055","Wouters, Johan; Ooms, Frederic; Durant, Francois","2-Oxazolidinone","Acta Crystallographica Section C","1997","53","7","895","897","10.1107/S0108270197003752","","","1.54178","CuKα","","0.0395","0.039","","0.1","0.0995","","","","1.12","1.134","1.134","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006335","11.735","0.001","9.683","0.001","11.985","0.001","90","","118.87","0.01","90","","1192.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S)-cis-1-benzyloxycarbonyl-(5R)-(2S-hydroxyphenylethyl)-proline tert-butyl ester","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C50 H62 N2 O10 -","2","1","SK1080","Soave, Raffaella; Roversi, Pietro; Destro, Riccardo","Two 1,5-Disubstituted Proline Esters","Acta Crystallographica Section C","1997","53","7","933","936","10.1107/S0108270197001248","","","0.71073","MoKa","","0.0354","0.0299","","0.0827","0.0802","","","","1.018","1.067","1.067","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2006336","11.456","0.001","9.708","0.001","12.024","0.001","90","","116.79","0.01","90","","1193.7","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S)-cis-1-benzyloxycarbonyl-(5R)-(2R-hydroxyphenylethyl)-proline tert-butyl ester.","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C50 H62 N2 O10 -","2","1","SK1080","Soave, Raffaella; Roversi, Pietro; Destro, Riccardo","Two 1,5-Disubstituted Proline Esters","Acta Crystallographica Section C","1997","53","7","933","936","10.1107/S0108270197001248","","","0.71073","MoKa","","0.0487","0.031","","0.0676","0.0633","","","","0.891","0.992","0.992","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006337","5.946","0.002","16.441","0.004","9.582","0.002","90","","100.14","0.02","90","","922.1","0.4","292","","292","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-pyridinium)urea perchlorate","","- C6 H8 Cl N3 O5 -","- C6 H8 Cl N3 O5 -","- C24 H32 Cl4 N12 O20 -","4","1","SK1081","Velichka Velikova; Olyana Angelova; Rosica Petrova; Krasimir Kossev","<i>N</i>-(2-Pyridinium)urea Perchlorate","Acta Crystallographica Section C","1997","53","7","971","973","10.1107/S0108270197003156","","","0.71073","MoKα","","0.0638","0.0363","","0.0824","0.0737","","","","0.948","1.042","1.042","","","","","has coordinates","190725","2020-10-21","18:00:00",""
"2006338","12.041","0.002","10.731","0.002","13.011","0.002","90","","106.49","0.02","90","","1612","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β,4β-Epoxy-5β-androstan-17-one'","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","2","SK1084","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3β,4β-Epoxy-5β-androstan-17-one","Acta Crystallographica Section C","1997","53","7","938","940","10.1107/S0108270197002138","","","0.71073","MoKα","","0.0708","0.0383","","0.0958","0.0872","","","","1.027","1.087","1.087","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006339","4.7378","0.0003","7.5284","0.0006","13.1036","0.0011","87.836","0.007","86.108","0.006","77.183","0.006","454.56","0.06","130","2","130","2","","","","","","","","4","P 1","P 1","1","lactosylurea","4-O-beta-D-galactopyranosyl-D-glucopyranosyl urea","","- C13 H28 N2 O13 -","- C13 H28 N2 O13 -","- C13 H28 N2 O13 -","1","1","SX1015","Marilyn M. Olmstead; Ming Hu; Mark J. Kurth; John M. Krochta; You-Lo Hsieh","Lactosylurea Dihydrate","Acta Crystallographica Section C","1997","53","7","915","916","10.1107/S0108270197002849","","","1.54178","CuKα","","0.0275","0.0271","","0.0694","0.0689","","","","1.072","1.072","1.072","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006340","14.58","0.002","18.5345","0.001","6.4477","0.0001","90","","90","","90","","1742.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5,2'-dithien-2-yl)-2'-deoxyuridine","","- C17 H16 N2 O5 S2 -","- C17 H16 N2 O5 S2 -","- C68 H64 N8 O20 S8 -","4","1","SX1017","Wouters, J.; Creuven, I.; Norberg, B.; Evrard, G.; Durant, F.; van Aerschot, A.; Herdewijn, P.","<i>trans</i>- and <i>cis</i>-S—C—C—S Conformations in 5-(2,2'-Dithien-5-yl)-2'-deoxyuridine","Acta Crystallographica Section C","1997","53","7","892","895","10.1107/S0108270197002813","","","1.5418","CuKα","","0.048","0.0461","","0.116","0.1135","","","","1.065","1.077","1.077","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006341","8.698","0.003","5.819","0.003","10.032","0.003","90","","107.48","0.03","90","","484.3","0.3","150","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(+)-α-methyl-4-carboxyphenylglycine","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C20 H22 N2 O8 -","2","1","SX1018","Wilson, Claire; Howard, Judith A. K.; Jane, David E.; Sunter, David C.; Watkins, Jeffrey C.","Absolute Configuration of (+)-α-Methyl-4-carboxyphenylglycine (MCPG), a Metabotropic Glutamate Receptor Antagonist","Acta Crystallographica Section C","1997","53","7","909","911","10.1107/S0108270197003223","","","1.54178","CuKα","","0.0502","0.0346","","0.1397","0.0881","","","","1.065","1.001","1.001","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006342","8.9803","0.0008","16.3083","0.001","9.2752","0.0007","90","","93.541","0.007","90","","1355.79","0.18","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(6Z,8Z)-2,4,6-Trimethyl-8-phenyl-7-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","SX1020","Prakash, Gautam; Fettinger, James C.; Falvey, Daniel E.","(6<i>Z</i>,8<i>Z</i>)-2,4,6-Trimethyl-8-phenyl-7-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione","Acta Crystallographica Section C","1997","53","7","979","981","10.1107/S0108270197002850","","","0.71073","MoKα","","0.0597","0.0422","","0.1083","0.0967","","","","1.038","1.066","1.066","","","","","has coordinates","176759","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",""
"2006344","13.214","0.003","16.145","0.002","44.872","0.002","90","","91.039","0.009","90","","9571","3","213","1","213","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H162 Co2 N4 O9 -","- C92 H162 Co2 N4 O9 -","- C368 H648 Co8 N16 O36 -","4","0.5","TA1127","Robert W. Corkery; David C.R. Hockless","A Water-Bridged Dinuclear Complex of Cobalt(II), Pyridine and Stearic Acid","Acta Crystallographica Section C","1997","53","7","840","843","10.1107/S010827019700259X","","","1.5418","CuKα","","","0.051","","","0.0607","","","","","2.306","2.306","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2006345","7.5893","0.0004","7.9361","0.0005","12.793","0.0007","104.427","0.004","95.662","0.004","90.264","0.004","742.24","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Strontiumnitratoacetate-Hemitrihydrate","","","- C2 H6 N O6.5 Sr -","- C2 H6 N O6.5 Sr -","- C8 H24 N4 O26 Sr4 -","4","2","TA1134","Lengauer, Christian L.; Giester, Gerald","Strontium Acetate Nitrate Trihydrate, [Sr~2~(CH~3~COO)~2~(NO~3~)~2~(H~2~O)~3~]","Acta Crystallographica Section C","1997","53","7","870","872","10.1107/S0108270197002990","","","0.71073","MoKα","","0.0484","0.0274","","0.061","0.0563","","","","1.043","1.113","1.113","","","","","has coordinates","223448","2020-10-21","18:00:00",""
"2006346","14.674","0.006","16.365","0.008","15.233","0.006","90","","111.39","0.03","90","","3406","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Cl2 N Ru -","- C17 H23 Cl2 N Ru -","- C136 H184 Cl16 N8 Ru8 -","8","2","TA1142","Andrew J. Steedman; Anthony K. Burrell","Dichloro(η^6^-hexamethylbenzene)(pyridine-<i>N</i>)ruthenium","Acta Crystallographica Section C","1997","53","7","864","866","10.1107/S0108270197003004","","","0.71073","MoKα","","0.0631","0.0327","","0.0949","0.0832","","","","1.049","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006347","14.074","0.002","15.738","0.002","13.588","0.002","96.82","0.01","100.61","0.01","74.63","0.01","2844.7","0.7","294","","294","","","","","","","","","5","P -1","-P 1","2","","(4RS,1'RS)-methyl 1-phenyl-2-piperidinoethyl 1,4-dihydro-2,6-dimethyl-4-(2- thienyl)pyridine-3,5-dicarboxylate methanol solvate","","- C28.5 H38 N2 O5.5 S -","- C27.5 H27 Hc9 Hn N2 O5.5 S2 -","- C110 H108 Hc36 Hn4 N8 O22 S8 -","4","2","VJ1043","Marubayashi, Nobuhiro; Mishina, Tadashi; Hamasaki, Toshio; Hirayama, Noriaki","(4<i>RS</i>,1'<i>RS</i>)-Methyl 1-Phenyl-2-piperidinoethyl 1,4-Dihydro-2,6-dimethyl-4-(2-thienyl)pyridine-3,5-dicarboxylate Methanol Solvate, C~27~H~32~N~2~O~4~S.1.5CH~4~O","Acta Crystallographica Section C","1997","53","7","913","915","10.1107/S0108270197000528","","","1.54184","Cu-Kα","","0.056","0.049","","","0.07","","","","","1.884","1.884","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2006348","5.911","0.004","7.474","0.003","16.366","0.003","100.55","0.03","91.9","0.03","91.62","0.04","710","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-[2-(napthylenyl)]-3-(4-chlorophenyl)-2-propen-1-one","","- C19 H13 Cl O -","- C19 H13 Cl O -","- C38 H26 Cl2 O2 -","2","1","VJ1049","S.Shanmuga Sundara Raj; M.N.Ponnuswamy; G.Shanmugam; S.Nanjundan","3-(4-Chlorophenyl)-1-(2-naphthyl)prop-2-enone","Acta Crystallographica Section C","1997","53","7","917","918","10.1107/S0108270197000668","","","1.5418","CuKα","","0.0619","0.0563","","0.173","0.1652","","","","1.066","1.108","1.108","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006349","10.055","0.003","22.575","0.004","18.227","0.005","90","","99.359","0.012","90","","4082.3","1.8","291","1","291","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Triphenylsilyl(thiophenyl-2)triphenylphosphonium perrhenate dichloromethane solvate","","- C43 H36 Cl2 O4 P Re S Si -","- C43 H36 Cl2 O4 P Re S Si -","- C172 H144 Cl8 O16 P4 Re4 S4 Si4 -","4","1","AB1433","Miller, John R.; Lu, Canzhong; Zheng, Yifan","Triphenyl[2-(triphenylsilyl)phenylthio]phosphonium Tetraoxorhenate(1‒)‒Dichloromethane (1/1)","Acta Crystallographica Section C","1997","53","8","1039","1041","10.1107/S0108270197003922","","","0.71073","MoKα","","0.0702","0.0308","","0.0892","0.076","","","","1.03","1.073","1.073","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006350","8.025","0.001","19.844","0.003","8.37","0.001","90","","97.44","0.01","90","","1321.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2-Bromo-4,5-dimethoxyphenyl)-2-(N,N-dimethylamino)acetonitrile","","- C12 H15 Br N2 O2 -","- C12 H15 Br N2 O2 -","- C48 H60 Br4 N8 O8 -","4","1","AB1437","SanMartín, Raúl; Olivera, Roberto; Domínguez, Esther; Pizarro, José Luis; Arriortua, María Isabel","2-(2-Bromo-4,5-dimethoxyphenyl)-2-(dimethylamino)acetonitrile","Acta Crystallographica Section C","1997","53","8","1141","1143","10.1107/S0108270197004605","","","0.7107","MoKα","","0.2572","0.029","","0.1162","0.0414","","","","0.852","0.622","0.622","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006351","9.5433","0.0005","11.0572","0.0007","13.0444","0.0005","78.84","0.004","89.737","0.004","89.7","0.004","1350.42","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","4-BENZYL-5-ETHYLTHIO-3H-1,2-DITHIOLE-3-THIONE","","- C12 H12 S4 -","- C12 H12 S4 -","- C48 H48 S16 -","4","2","AB1441","Baggio, Ricardo; Vega, Daniel; Mario L. Aimar; Rita H. de Rossi; Javier Ellena","4-Benzyl-5-ethylthio-3<i>H</i>-1,2-dithiole-3-thione","Acta Crystallographica Section C","1997","53","8","1125","1127","10.1107/S0108270197003697","","","1.54184","CuKα","","0.056","0.049","","0.137","0.132","","","","1.12","1.164","1.164","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006352","7.4083","0.0001","8.5172","0.0001","14.9425","0.0001","87.42","0.01","78.71","0.01","77.57","0.01","902.92","0.05","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 Cu N6 O12 -","- C34 H40 Cu N6 O12 -","- C34 H40 Cu N6 O12 -","1","0.5","AB1457","Hökelek, Tuncer; Budak, Kıvanç; Necefoğlu, Hacali","<i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>^1^)bis(4-nitrobenzoato-<i>O</i>)copper(II)","Acta Crystallographica Section C","1997","53","8","1049","1051","10.1107/S0108270197004915","","","0.71073","MoKα","","","0.056","","","0.0479","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006353","11.1118","0.0013","10.3425","0.0011","6.219","0.002","90","","103.75","0.02","90","","694.2","0.3","143","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Diallysulfide","di-2-propenylsulfide","","- C6 H10 S -","- C6 H10 S -","- C24 H40 S4 -","4","0.5","AV1003","Bartkowska, Beata; Krüger, Carl","Diallyl Sulfide and Diallyl Disulfide","Acta Crystallographica Section C","1997","53","8","1064","1066","10.1107/S0108270197004368","","","0.71069","MoKα","","0.0409","0.0395","","0.1002","0.0998","","","","1.221","1.248","1.248","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006354","5.3456","0.0012","13.94","0.003","10.8447","0.001","90","","96.152","0.013","90","","803.5","0.3","168","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Diallyldisulfide","di-2-propenyldisulfide","","- C6 H10 S2 -","- C6 H10 S2 -","- C24 H40 S8 -","4","1","AV1003","Bartkowska, Beata; Krüger, Carl","Diallyl Sulfide and Diallyl Disulfide","Acta Crystallographica Section C","1997","53","8","1064","1066","10.1107/S0108270197004368","","","0.71069","MoKα","","0.0537","0.0498","","0.1376","0.1355","","","","1.059","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006355","8.9952","0.0013","20.46","0.002","9.864","0.002","90","","90","","90","","1815.4","0.5","98","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Tetravinylsilane","Tetraethenylsilane","","- C8 H12 Si -","- C8 H12 Si -","- C64 H96 Si8 -","8","1","AV1004","Bartkowska, Beata; Krüger, Carl","Tetravinylsilane","Acta Crystallographica Section C","1997","53","8","1066","1068","10.1107/S010827019700437X","","","0.71069","MoKα","","0.0463","0.0399","","0.1268","0.1222","","","","1.027","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006356","28.818","0.007","21.357","0.002","13.668","0.006","90","","116.29","0.03","90","","7542","4","153","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H33 Cl N3 O17 Re -","- C35 H33 Cl N3 O17 Re -","- C280 H264 Cl8 N24 O136 Re8 -","8","1","BK1234","Absi, Michelle; Stern, Charlotte L.; Yoon, Dong I.; Hupp, Joseph T.","A Crown-Linked Donor‒Acceptor Assembly Containing Re^I^(diimine)(CO)~3~Cl and Nitrobenzene Components","Acta Crystallographica Section C","1997","53","8","1054","1055","10.1107/S010827019700036X","","","0.71069","MoKα","","","0.03","","","0.035","","","","","1.51","1.51","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006357","20.527","0.002","6.144","0.002","8.604","0.002","90","","90.08","0.02","90","","1085.1","0.4","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","anthracene-1-carboxylic acid","anthracene-1-carboxylic acid","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","BK1321","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Anthracene-1-carboxylic Acid","Acta Crystallographica Section C","1997","53","8","1080","1082","10.1107/S0108270197004927","","","0.71073","MoKα","","","0.054","","","0.053","","","","","1.56","1.56","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006358","7.356","0.001","8.986","0.002","9.544","0.002","74.37","0.03","89.69","0.03","89.34","0.03","607.5","0.2","294","","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H16 Cl Co N4 O7 -","- C5 H16 Cl Co N4 O7 -","- C10 H32 Cl2 Co2 N8 O14 -","2","1","BM1124","Huai-Ming Hu; Hong-Sui Sun; Chun-Ying Duan; Qun Zhao; Xiao-Zeng You","(Carbonato-<i>O</i>,<i>O</i>')bis(1,2-ethanediamine-<i>N</i>,<i>N</i>')cobalt(III) Perchlorate","Acta Crystallographica Section C","1997","53","8","1014","1015","10.1107/S0108270197004083","","","0.71073","MoKα","","0.0859","0.0672","","0.1937","0.1752","","","","1.091","1.199","1.199","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006359","8.034","0.006","9.039","0.007","11.493","0.009","106.15","0.06","92.75","0.06","106.74","0.06","760.2","1.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1-(2,4-Diacetoxyphenyl)-2-phenylethanone","","- C18 H16 O5 -","- C18 H16 O5 -","- C36 H32 O10 -","2","1","BM1147","Pati, Hari N.; Parmar, Virinder S.; Errington, William","1-(2,4-Diacetoxyphenyl)-2-phenylethanone","Acta Crystallographica Section C","1997","53","8","1161","1162","10.1107/S0108270197004253","","","0.71073","MoKα","","0.0637","0.0429","","0.1236","0.109","","","","1.043","1.106","1.106","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006360","10.598","0.002","24.577","0.003","11.378","0.004","90","","104.24","0.02","90","","2872.5","1.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(Tetra(thf))lithium(I) Tetrachloro di(μ-chloro) bis(thf)dibismuthate(III)","","- C20 H40 Bi Cl4 Li O5 -","- C20 H40 Bi Cl4 Li O5 -","- C80 H160 Bi4 Cl16 Li4 O20 -","4","1","BM1150","James, Sian C.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.","Tetrahydrofuran Adducts of a Chlorobismuthate(III) Anion and Antimony Triiodide","Acta Crystallographica Section C","1997","53","8","1024","1027","10.1107/S0108270197004009","","","0.71073","MoKα","","0.1236","0.0498","","0.0863","0.0716","","","","0.854","0.994","0.994","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006361","7.92871","0.00011","12.663","0.002","11.447","0.003","90","","94.116","0.003","90","","1146.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Antimony(III)iodide tetrahydrofuran","","- C4 H8 I3 O Sb -","- C4 H8 I3 O Sb -","- C16 H32 I12 O4 Sb4 -","4","1","BM1150","James, Sian C.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.","Tetrahydrofuran Adducts of a Chlorobismuthate(III) Anion and Antimony Triiodide","Acta Crystallographica Section C","1997","53","8","1024","1027","10.1107/S0108270197004009","","","0.71073","MoKα","","0.0303","0.0247","","0.0565","0.055","","","","0.818","0.883","0.883","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006362","6.7504","0.0005","6.7504","","8.265","0.001","90","","90","","90","","376.62","0.05","295","","295","","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Ag2 As K S4 -","- Ag2 As K S4 -","- Ag4 As2 K2 S8 -","2","0.125","BR1149","Schimek, George L.; Kolis, Joseph W.","KAg~2~AsS~4~","Acta Crystallographica Section C","1997","53","8","991","992","10.1107/S0108270197000450","","","0.71073","MoKα","","","0.0241","","","0.0217","","","","","1.64","1.64","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006363","15.634","0.002","8.479","0.001","23.404","0.003","90","","108.6","0.01","90","","2940.4","0.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","dipotassium(+) bis[1,4,7,10,13,16-hexaoxacyclooctadecane- potassium(+)] hexaselenodistannate (4-) tetraethylenediamine","","- C32 H80 K4 N8 O12 Se6 Sn2 -","- C32 H80 K4 N8 O12 Se6 Sn2 -","- C64 H160 K8 N16 O24 Se12 Sn4 -","2","0.5","BR1163","Borrmann, Horst; Pirani, Ayaaz M.; Schrobilgen, Gary J.","(K^+^)~2~(18-crown-6-K^+^)~2~[Sn~2~Se~6~]^4{-^}.4en: an [Sn~2~Se~6~]^4{-^} Anion with a Short Sn","Acta Crystallographica Section C","1997","53","8","1004","1006","10.1107/S0108270197004939","","","0.71073","MoKα","","0.0365","0.0298","","0.08","0.0753","","","","1.033","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006364","6.6934","0.0004","9.1833","0.0005","10.1469","0.0006","69.479","0.001","77.218","0.001","75.761","0.001","559.88","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","hydrated zinc arsenate","tris(zinc arsenate) tetrahydrate","","- As6 H8 O28 Zn9 -","- As6 O28 Zn9 -","- As6 O28 Zn9 -","1","0.5","BR1175","Pingyun Feng; Xianhui Bu; Galen D. Stucky","A Synthetic Hydrated Zinc Arsenate Constructed from Tetrahedral, Trigonal Bipyramidal and Octahedral Zinc Polyhedra: [Zn~3~(AsO~4~)~2~]~3~.4H~2~O","Acta Crystallographica Section C","1997","53","8","997","1000","10.1107/S0108270197004095","","","0.71073","MoKα","","0.051","0.0458","","0.1065","0.1051","","","","0.982","1.075","1.075","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006365","11.14","0.002","12.358","0.002","20.727","0.004","87.34","0.03","85.66","0.03","88.21","0.03","2841.1","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis[4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane- potassium(+1)] eclipsed-decacarbonyldichromate(2-).","","- C46 H72 Cr2 K2 N4 O22 -","- C46 H72 Cr2 K2 N4 O22 -","- C92 H144 Cr4 K4 N8 O44 -","2","1","BR1178","Horst Borrmann; Ayaaz M. Pirani; Gary J. Schrobilgen","[2,2,2-Crypt-K]~2~[Cr~2~(CO)~10~]: the First Dinuclear Metal Decacarbonyl Dianion Structure with an Eclipsed Geometry","Acta Crystallographica Section C","1997","53","8","1007","1010","10.1107/S0108270197004320","","","0.71073","MoKα","","0.039","0.0295","","0.0833","0.0767","","","","0.989","1.012","1.012","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006366","21.4587","0.0001","14.9163","0.0003","17.851","0.0003","90","","95.118","0.001","90","","5691.05","0.15","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28.5 I N4.5 O3 Sn -","- C28 H28.5 I N4.5 O3 Sn -","- C224 H228 I8 N36 O24 Sn8 -","8","2","BS1015","Watson, Suzanne; Errington, William; Fenn, David; Moore, Peter; Wallbridge, Malcolm G.H.","{Tris[<i>N</i>-(salicylidene)-2-aminoethyl]amine}tin(IV) Iodide Acetonitrile Solvate","Acta Crystallographica Section C","1997","53","8","1031","1034","10.1107/S0108270197003855","","","0.71073","MoKα","","0.0536","0.0369","","0.0975","0.0788","","","","1.14","1.122","1.122","","","","","has coordinates","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",""
"2006368","17.229","0.003","10.817","0.005","14.851","0.006","90","","110.78","0.03","90","","2587.7","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(3-methyl-2,4-pentanedionato)(N,N-bis(2-chloroethyl)1,2-ethane diamine)cobalt(III) perchlorate","","- C18 H32 Cl3 Co N2 O8 -","- C18 H32 Cl3 Co N2 O8 -","- C72 H128 Cl12 Co4 N8 O32 -","4","1","BS1025","Ware, David C.; Denny, William A.; Clark, George R.","[<i>N</i>,<i>N</i>-Bis(2-chloroethyl)-1,2-ethanediamine-<i>N</i>,<i>N</i>']bis(3-methyl-2,4-pentanedionato-<i>O</i>,<i>O</i>')cobalt(III) Perchlorate: a Potential Hypoxia Selective Anticancer Agent","Acta Crystallographica Section C","1997","53","8","1058","1059","10.1107/S0108270197004186","","","0.71069","MoKα","","0.0927","0.0504","","0.1597","0.1178","","","","1.142","1.044","1.044","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006369","7.227","0.001","34.729","0.002","9.221","0.002","90","","90","","90","","2314.3","0.6","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","5,8-dimethoxy-1-naphthoic acid","","","- C13 H12 O4 -","- C13 H12 O4 -","- C104 H96 O32 -","8","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","","","0.049","","","0.036","","","","","2.06","2.06","","","","","has coordinates","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",""
"2006371","18.781","0.005","5.292","0.001","24.948","0.007","90","","90.47","0.02","90","","2479.5","1.1","295","","295","","","","","","","","","5","I 1 2/a 1","","","","2,2'-diaminodiphenyl disulfide hemihydrate","","- C12 H13 N2 O0.5 S2 -","- C12 H13.5 N2 O S2 -","- C96 H108 N16 O8 S16 -","8","1","CF1091","Kaitner, Branko; Pavlović, Gordana","2,2'-Diaminodiphenyl Disulfide Hemihydrate","Acta Crystallographica Section C","1997","53","8","1103","1105","10.1107/S0108270197004435","","","0.71069","MoKα","","0.031","0.031","","0.051","0.051","","","","","1.12","1.12","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006372","13.339","0.003","10.605","0.003","13.052","0.005","90","","108.78","0.02","90","","1748","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2S,3R,4R) and (2R,3S,4S)-dimethyl-2-(3,4,5-trimethoxyphenyl) tetrahydrofuran-3,4-dicarboxylate ((Ia))","","- C17 H22 O8 -","- C17 H22 O8 -","- C68 H88 O32 -","4","1","CF1156","Yang, Qing-chuan; Song, Yi-qiu; Tang, You-qi; Pei, Wei-wei; Li, Shao-hu; Ye, Xiu-lin","Two Pairs of Stereoisomers of Dimethyl 2-(3,4,5-Trimethoxyphenyl)tetrahydrofuran-3,4-dicarboxylate","Acta Crystallographica Section C","1997","53","8","1133","1136","10.1107/S0108270197004447","","","0.71073","MoKα","","0.0977","0.0556","","0.1898","0.1402","","","","0.996","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006373","5.385","0.002","19.521","0.007","16.7","0.008","90","","96.57","0.04","90","","1744","1.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2S,3R,4S) and (2R,3S,4S) -dimethyl-2-(3,4,5-trimethoxyphenyl) tetrahydrofuran-3,4-dicarboxylate ((Ib))","","- C17 H22 O8 -","- C17 H22 O8 -","- C68 H88 O32 -","4","1","CF1156","Yang, Qing-chuan; Song, Yi-qiu; Tang, You-qi; Pei, Wei-wei; Li, Shao-hu; Ye, Xiu-lin","Two Pairs of Stereoisomers of Dimethyl 2-(3,4,5-Trimethoxyphenyl)tetrahydrofuran-3,4-dicarboxylate","Acta Crystallographica Section C","1997","53","8","1133","1136","10.1107/S0108270197004447","","","0.71073","MoKα","","0.1369","0.0488","","0.2023","0.1221","","","","0.96","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006374","9.582","0.001","10.495","0.002","13.498","0.003","90","0.2","90","0.3","90","0.3","1357.4","0.4","294","","294","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 N4 -","- C14 H22 N4 -","- C56 H88 N16 -","4","1","CF1161","Lassaba, Essedyia; Benharref, Ahmed; Giorgi, Michel; Pierrot, Marcel","(1<i>S</i>,6<i>S</i>)-Tetrazolo[1,5-<i>g</i>]-7-aza-<i>trans</i>-himachal-2-ene","Acta Crystallographica Section C","1997","53","8","1139","1141","10.1107/S010827019700365X","","","0.71073","MoKα","","0.056","0.048","","","0.068","","","","","1.829","1.829","","","","","has coordinates,has Fobs","208466","2020-10-21","18:00:00",""
"2006375","15.117","0.001","14.4592","0.0006","15.8539","0.0009","90","","90","","90","","3465.3","0.3","297","","","","","","","","","","","4","P b c a","","","","1,8-Diiodo-10-hydroxy-10-(3-methyl-but-3-en-1-ynyl)-10H-anthracen-9-one","","- C19 H12 I2 O2 -","- C19 H12 I2 O2 -","- C152 H96 I16 O16 -","8","1","CF1169","Thalji, Reema K.; Garcia, Gabriel; Asfaw, Bruktawit; Rodriguez, Augusto; Fronczek, Frank R.","A Diiodo-Substituted 9-Anthracenone","Acta Crystallographica Section C","1997","53","8","1138","1139","10.1107/S0108270197004460","","","0.71073","MoKα","","","0.045","","","0.054","","","","","1.88","1.88","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006376","9.606","0.002","6.378","0.002","30.077","0.005","90","","90","","90","","1842.7","0.8","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","N-Carboxy-dl-Phenylalanine Anhydride","","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C80 H72 N8 O24 -","8","2","DE1051","Hitoshi Kanazawa; Hidehiro Uekusa; Yuji Ohashi","<i>N</i>-Carboxy-<small>DL</small>-phenylalanine Anhydride","Acta Crystallographica Section C","1997","53","8","1154","1156","10.1107/S0108270197004010","","","1.54184","CuKα","","0.0453","0.0338","","0.0901","0.0838","","","","1.089","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006377","6.706","0.001","6.806","0.001","6.997","0.001","100.73","0.02","113.33","0.02","80.53","0.02","286.65","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","mercury(II)-pyrophosphate","di-mercury(II)-diphosphate","","- Hg2 O7 P2 -","- Hg2 O7 P2 -","- Hg4 O14 P4 -","2","1","DU1174","Weil, Matthias; Glaum, Robert","Mercury(II) Diphosphate, Hg~2~P~2~O~7~","Acta Crystallographica Section C","1997","53","8","1000","1003","10.1107/S0108270197003879","","","0.71073","MoKα","","0.0374","0.0266","","0.0662","0.0602","","","","1.091","1.093","1.093","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006378","7.122","0.002","18.113","0.004","10.389","0.004","90","","90","","90","","1340.2","0.7","293","","293","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C52 H68 N12 O20 -","4","1","FG1253","Audette, Gerald F.; Zoghaib, Wajdi M.; Tourigny, Guy; Gupta, Sagar V.; Delbaere, Louis T. J.","3,4-Etheno-5-methoxymethyl-2'-deoxycytidine","Acta Crystallographica Section C","1997","53","8","1099","1101","10.1107/S0108270197003880","","","0.71069","MolybdenumKα","","0.095","0.094","","0.076","0.076","","","","","1.43","1.43","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006379","14.997","0.006","12.898","0.009","14.743","0.014","90","","90","","90","","2852","4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-(1,8-naphthalenedicarboximido)benzonitrile, or N-(3-benzonitrile)-1,8-naphthalimide or strict IUPAC name 3-(1,3-dioxo-2,3-dihydro-1H-naphtho-[1,8-cd]- azin-2yl)benzonitrile","","- C19 H10 N2 O2 -","- C19 H10 N2 O2 -","- C152 H80 N16 O16 -","8","1","FG1259","Batchelor, Rhys A.; Hunter, Christopher A.; Simpson, Jim","3-(1,8-Naphthalenedicarboximido)benzonitrile [or <i>N</i>-(3-Cyanophenyl)-1,8-naphthalimide], C~19~H~10~N~2~O~2~","Acta Crystallographica Section C","1997","53","8","1117","1119","10.1107/S0108270197003727","","","0.71073","MoKα","","0.1431","0.0682","","0.1626","0.1373","","","","0.926","1.208","1.208","","","","","has coordinates","201955","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",""
"2006381","12.8075","0.0018","12.8075","0.0018","16.419","0.003","90","","90","","90","","2693.2","0.7","143","2","143","2","","","","","","","","3","P 42 b c","P 4c -2ab","106","","1,8-Bis(dimethylphosphino)naphthalene","","- C14 H18 P2 -","- C14 H18 P2 -","- C112 H144 P16 -","8","1","FG1288","Jones, Peter G.; Thönnessen, Holger; Karac̨ar, Atilla; Schmutzler, Reinhard","1,8-Bis(dimethylphosphino)naphthalene: an Unusual Case of Pseudosymmetry","Acta Crystallographica Section C","1997","53","8","1119","1122","10.1107/S010827019700468X","","","0.71073","MoKα","","0.0524","0.041","","0.101","0.0913","","","","1.064","1.038","1.038","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006382","11.7734","0.0017","15.773","0.002","8.796","0.0016","90","","95.182","0.014","90","","1626.8","0.4","296","","296","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","sp-9-(o-isopropylphenyl)fluorene","","- C22 H20 -","- C22 H20 -","- C88 H80 -","4","1","FG1290","Meyers, Cal Y.; Hou, Yuqing; Scott, Delano; Robinson, Paul D.","Exclusive Formation of Crystalline <i>sp</i>-9-(<i>o</i>-Isopropylphenyl)fluorene from its <i>ap</i> Rotamer in Solution","Acta Crystallographica Section C","1997","53","8","1149","1151","10.1107/S0108270197003739","","","0.71069","MoKα","","0.183","0.0459","","0.1619","0.109","","","","1.016","1.173","1.173","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006383","10.307","0.005","16.161","0.01","22.496","0.01","91.57","0.04","89.81","0.04","101.1","0.04","3676","3","178","2","178","2","","","","","","","","6","P -1","-P 1","2","","Bis(triphenylphosphonine)iminium Trichloro(cyclopentadienyl)chromide(III)","","- C41 H35 Cl3 Cr N P2 -","- C41 H35 Cl3 Cr N P2 -","- C164 H140 Cl12 Cr4 N4 P8 -","4","2","FG1314","Scheer, Manfred; Jones, Peter G.","Bis(triphenylphosphine-<i>P</i>)iminium Trichloro(η^5^-cyclopentadienyl)chromide(III)","Acta Crystallographica Section C","1997","53","8","1038","1039","10.1107/S0108270197005234","","","0.71073","MoKα","","0.0918","0.0498","","0.1642","0.1304","","","","0.95","0.968","0.968","","","","","has coordinates","192288","2020-10-21","18:00:00",""
"2006384","8.362","0.002","16.727","0.002","11.554","0.002","90","","95.561","0.002","90","","1608.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O S -","- C19 H16 N2 O S -","- C76 H64 N8 O4 S4 -","4","1","FR1015","Elerman, Yalc̨in; Elmali, Ayhan; Kendi̇, Engin; Özbey, Süheyla; Ertüzün, Vedia","4-Ethyl-2-(2-hydroxynaphthylmethylidene)amino-5-methyl-3-thiophenecarbonitrile","Acta Crystallographica Section C","1997","53","8","1158","1160","10.1107/S0108270196014515","","","0.71069","MoKα","","0.067","0.046","","0.118","0.111","","","","1.122","1.215","1.215","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006385","24.967","0.003","6.075","0.002","13.232","0.002","90","","113.134","0.011","90","","1845.6","0.7","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","(-)-labda-8(17),13E-dien-15-oic","","- C20 H32 O2 -","- C20 H31.5 O2 -","- C80 H126 O8 -","4","1","FR1024","Reinaldo Atencio; Ricardo Gaitán; Sara Pekerar; José D. Medina","(13<i>E</i>)-({-})-Labda-8(17),13-dien-15-oic Acid","Acta Crystallographica Section C","1997","53","8","1068","1070","10.1107/S0108270197003016","","","0.71069","MoKα","","0.0742","0.044","","0.163","0.1194","","","","1.108","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006386","10.429","0.002","10.699","0.003","11.743","0.003","114.41","0.02","107.43","0.03","96.33","0.04","1096.3","0.6","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 N4 Ni3 O10 S2 -","- C42 H50 N4 Ni3 O10 S2 -","- C42 H50 N4 Ni3 O10 S2 -","1","0.5","FR1035","Ülkü, Dinçer; Ercan, Filiz; Atakol, Orhan; Dinçer, F. Nazlι","Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato](dimethyl sulfoxide)nickel(II)}nickel(II)","Acta Crystallographica Section C","1997","53","8","1056","1057","10.1107/S0108270197004733","","","0.71073","MoKα","","","0.048","","","0.049","","","","","0.96","0.96","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006387","16.54","0.001","15.605","0.002","10.445","0.001","90","","104.9","0.01","90","","2605.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrachlorotetrakis(tetrahydrofuran)di-μ-thioxodiniobium(IV)","","- C16 H32 Cl4 Nb2 O4 S2 -","- C16 H32 Cl4 Nb2 O4 S2 -","- C64 H128 Cl16 Nb8 O16 S8 -","4","1","FR1039","Myungok Yoon; Victor Young Jr; Gordon J. Miller; .","A Bioctahedral Nb^IV^ Cluster with Bridging Sulfides: [Nb~2~(μ-S)~2~Cl~4~(thf)~4~]","Acta Crystallographica Section C","1997","53","8","1041","1043","10.1107/S0108270197004277","","","0.71073","MoKα","","0.0779","0.0416","","0.1112","0.0972","","","","1.034","1.089","1.089","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006388","7.567","0.0014","8.7781","0.0007","10.2806","0.0016","108.941","0.01","94.805","0.014","98.788","0.011","631.79","0.17","293","","293","","","","","","","","","7","P -1","-P 1","2","trans-diaquabis(2,2'-bipyridine)ruthenium(II) hexafluorophosphate","trans-diaquabis(2,2'-bipyridine)ruthenium(II) hexafluorophosphate","","- C20 H20 F12 N4 O2 P2 Ru -","- C20 H20 F12 N4 O2 P2 Ru -","- C20 H20 F12 N4 O2 P2 Ru -","1","0.5","FR1040","Weathers, Norman R.; Sadoski, Robert C.; Durham, Bill; Cordes, A. Wallace","<i>trans</i>-Diaquabis(2,2'-bipyridine-<i>N</i>,<i>N</i>')ruthenium(II) Bis(hexafluorophosphate)","Acta Crystallographica Section C","1997","53","8","1047","1049","10.1107/S0108270197004381","","","0.7107","MolybdenumKα","","0.04","0.04","","0.051","0.051","","","","","0.9","0.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006389","8.468","0.0014","11.1997","0.0007","6.822","0.0009","90","","90","","90","","646.99","0.14","296","","296","","","","","","","","","4","C m c m","-C 2c 2","63","1,3-dimethylimidazole-2-thione","1,3-dimethyl-2(3H)-imidazolethione","","- C5 H8 N2 S -","- C5 H8 N2 S -","- C20 H32 N8 S4 -","4","0.25","HA1189","Tomlin, David W.; Campbell, Daniel P.; Fleitz, Paul A.; Adams, W. Wade","Redetermination of 1,3-Dimethylimidazole-2-thione","Acta Crystallographica Section C","1997","53","8","1153","1154","10.1107/S0108270197004198","","","0.71073","MoKα","","","0.049","","","0.04","","","","","1.169","1.169","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006390","4.832","0.002","10.222","0.006","13.426","0.006","73.3","0.04","81.43","0.03","88.83","0.04","627.9","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C30 H28 O8 -","2","1","HA1191","Damas, Ana M.; Roleira, Fernanda F.; Pinto, Madalena M. M.","2-[2-(Hydroxyethyl)phenoxy]benzoic Acid","Acta Crystallographica Section C","1997","53","8","1143","1145","10.1107/S0108270197004344","","","0.71069","MoKα","","0.0632","0.0389","","0.1235","0.0932","","","","1.031","1.033","1.033","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006391","7.498","0.003","12.564","0.004","16.296","0.013","90","","93.36","0.04","90","","1532.5","1.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","methyl (E)-3-(imidazol-4-yl)propenoate hemihydrate","","- C7 H9 N2 O2.5 -","- C7 H9 N2 O2.5 -","- C56 H72 N16 O20 -","8","1","HA1192","Blake, Alexander J.; McNab, Hamish; Thornley, Craig","Four Methyl Azolyl-3-propenoates","Acta Crystallographica Section C","1997","53","8","1093","1097","10.1107/S0108270197004952","","","0.71073","MoKα","","0.0365","0.0333","","0.0955","0.0926","","","","1.057","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006392","10.795","0.003","8.271","0.001","17.803","0.003","90","","92.957","0.015","90","","1587.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl (E)-3-(pyrrol-2-yl)propenoate","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","2","HA1192","Blake, Alexander J.; McNab, Hamish; Thornley, Craig","Four Methyl Azolyl-3-propenoates","Acta Crystallographica Section C","1997","53","8","1093","1097","10.1107/S0108270197004952","","","0.71073","MoKα","","0.2221","0.058","","0.2147","0.1413","","","","1.014","1.205","1.205","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006393","9.706","0.002","8.9898","0.0009","17.714","0.003","90","","90","","90","","1545.6","0.4","277","2","277","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","methyl (E)-3-(imidazol-2-yl)propenoate","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C56 H64 N16 O16 -","8","1","HA1192","Blake, Alexander J.; McNab, Hamish; Thornley, Craig","Four Methyl Azolyl-3-propenoates","Acta Crystallographica Section C","1997","53","8","1093","1097","10.1107/S0108270197004952","","","0.71073","MoKα","","0.1105","0.0438","","0.1366","0.0969","","","","1.108","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006394","15.7","0.013","18.927","0.016","7.311","0.005","90","","100.13","0.06","90","","2139","3","277","2","277","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl (Z)-3-(imidazol-2-yl)propenoate","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C84 H96 N24 O24 -","12","3","HA1192","Blake, Alexander J.; McNab, Hamish; Thornley, Craig","Four Methyl Azolyl-3-propenoates","Acta Crystallographica Section C","1997","53","8","1093","1097","10.1107/S0108270197004952","","","0.71073","MoKα","","0.0712","0.0387","","0.1177","0.1027","","","","1.036","1.106","1.106","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006395","12.3962","0.0008","7.8062","0.0005","30.305","0.0002","90","","106.319","0.005","90","","2814.4","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O -","- C17 H21 N O -","- C136 H168 N8 O8 -","8","2","JZ1173","Kooijman, Huub; Spek, Anthony L.; Hoogesteger, Frans J.; Jenneskens, Leonardus W.","4-(1-Phenylpiperidin-4-ylidene)cyclohexanone","Acta Crystallographica Section C","1997","53","8","1156","1158","10.1107/S0108270197003958","","","0.71073","MoKα","","0.063","0.063","","0.148","0.148","","","","0.96","0.96","0.96","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006396","9.838","0.005","12.524","0.005","12.842","0.006","69.12","0.03","68","0.04","82.42","0.04","1370.7","1.2","126","2","126","2","","","","","","","","5","P -1","-P 1","2","Bis[anhydromesorhodochlorinato-XV methyl ester)zinc(II)]","Bis{(8,13-diethyl-2,21,22,23-tetrahydro-18-methoxycarbonyl-3,7,12,17- tetramethyl-23-oxo-3H-benzo[at]porphyrinato)zinc(II)}","","- C66 H68 N8 O6 Zn2 -","- C66 H68 N8 O6 Zn2 -","- C66 H68 N8 O6 Zn2 -","1","0.5","JZ1192","Senge, Mathias O.; Smith, Kevin M.","Bis[(anhydro-<i>meso</i>-rhodochlorinato-XV methyl ester)zinc(II)]","Acta Crystallographica Section C","1997","53","8","1022","1024","10.1107/S0108270197002977","","","0.71073","MoKα","","0.0987","0.0681","","0.1633","0.1463","","","","1.029","1.079","1.079","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006397","8.646","0.0011","10.849","0.0013","15.96","0.0002","90","","95.48","0.02","90","","1490.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dicarbonylbis(η^5^-cyclopentadienyl)-(μ-1,4-η:4,5-η-1,4-pentadien- 1,4-diyl)oxoditungsten(W-W)","","- C17 H16 O3 W2 -","- C17 H16 O3 W2 -","- C68 H64 O12 W8 -","4","1","JZ1195","Kreiter, Cornelius G.; Schwarz, C. Bettina; Frank, Walter; Reiß, Guido J.","Photochemical Reactions of Transition Metal Organyl Complexes with Olefins. 18. Dicarbonylbis(η^5^-cyclopentadienyl)(μ-1,4-η:4,5-η-1,4-pentadien-1,4-diyl)oxoditungsten(<i>W</i>—<i>W</i>)","Acta Crystallographica Section C","1997","53","8","1018","1020","10.1107/S0108270197004393","","","0.71069","MoKα","","0.0314","0.0284","","0.0747","0.0733","","","","1.136","1.16","1.16","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006398","14.1995","0.0007","11.3316","0.0005","9.7483","0.0005","90","","106.453","0.004","90","","1504.3","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3,5-Dimethylpyridine) (N-salicylideneglycinato)-Copper(II) Polymer","","- C16 H16 Cu N2 O3 -","- C16 H16 Cu N2 O3 -","- C64 H64 Cu4 N8 O12 -","4","1","JZ1196","Warda, Salam A.","A (3,5-Dimethylpyridine-<i>N</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'')copper(II) Polymer","Acta Crystallographica Section C","1997","53","8","1010","1011","10.1107/S0108270197004241","","","1.54178","CuKα","","0.0558","0.0553","","0.1467","0.1462","","","","1.143","1.153","1.153","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006399","16.8637","0.0014","9.3561","0.0006","7.4402","0.0013","90","","111.934","0.011","90","","1088.9","0.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Bipyridyl-N,N')dibromopalladium(II)","","- C10 H8 Br2 N2 Pd -","- C10 H8 Br2 N2 Pd -","- C40 H32 Br8 N8 Pd4 -","4","0.5","JZ1200","Smeets, Wilberth J.J.; Spek, Anthony L.; Hoare, Jason L.; Canty, Allan J.; Hovestad, Neldes; van Koten, Gerard","(2,2'-Bipyridyl-<i>N</i>,<i>N</i>')dibromopalladium(II)","Acta Crystallographica Section C","1997","53","8","1045","1047","10.1107/S0108270197004149","","","0.71073","MoKα","","","0.051","","","","0.135","","","","","","1.044","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006400","16.746","0.002","12.974","0.002","11.582","0.002","90","","90","","90","","2516.3","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Potassium strontium tetraborate decahydrate","","- B8 H28 K2 O28 Sr -","- B8 H28 K2 O28 Sr -","- B32 H112 K8 O112 Sr4 -","4","1","KA1150","Xavier Solans; Joaquim Solans; M. Victoria Domènech","Potassium Strontium Tetraborate Decahydrate and Ammonium Calcium Tetraborate Octahydrate","Acta Crystallographica Section C","1997","53","8","994","997","10.1107/S0108270196007032","","","0.71069","MoKα","","0.033","0.033","","0.076","0.076","","","","0.994","0.993","0.993","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"2006401","16.659","0.002","12.571","0.002","11.588","0.002","90","","90","","90","","2426.8","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ammonium Calcium Tetraborate Octohydrate","","- B8 Ca H32 N2 O26 -","- B8 Ca H32 N2 O26 -","- B32 Ca4 H128 N8 O104 -","4","1","KA1150","Xavier Solans; Joaquim Solans; M. Victoria Domènech","Potassium Strontium Tetraborate Decahydrate and Ammonium Calcium Tetraborate Octahydrate","Acta Crystallographica Section C","1997","53","8","994","997","10.1107/S0108270196007032","","","0.71069","MoKα","","0.026","0.026","","0.067","0.067","","","","1.02","1.02","1.02","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"2006402","8.676","0.001","44.948","0.002","22.143","0.002","90","","99.369","0.005","90","","8519.9","1.3","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(1RS,3SR,4RS,5RS,7SR,9SR)-4,7-diacetyl-9-hydroxy-1,3,5,9-tetramethyl -2,6,8-trioxatricyclo[3.2.1.1^3,7^]nonane","","- C14 H20 O6 -","- C14 H20 O6 -","- C336 H480 O144 -","24","6","KA1225","Raabe, Gerhard; Hall, Sydney R.; .; Thomas, Hans Günter; .; Wellen, Ulrich; .; Simons, Josef; .","(1<i>RS</i>,3<i>SR</i>,4<i>RS</i>,5<i>RS</i>,7<i>SR</i>,9<i>SR</i>)-4,7-Diacetyl-9-hydroxy-1,3,5,9-tetramethyl-2,6,8-trioxatricyclo[3.2.1.1^3,7^]nonane: a Tricyclic System Formed Under Cathodic Conditions","Acta Crystallographica Section C","1997","53","8","1107","1111","10.1107/S0108270197005477","","","1.54179","CuKα","","0.105","0.059","","0.074","0.067","","","","1.986","2.529","2.529","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006403","11.786","0.002","5.543","0.001","17.799","0.004","90","","106.16","0.03","90","","1116.9","0.4","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","9-Methylthiophenanthrene","","- C15 H12 S -","- C15 H12 S -","- C60 H48 S4 -","4","2","KA1230","Jarno Kansikas; Kaija Sipilä","Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl)","Acta Crystallographica Section C","1997","53","8","1127","1131","10.1107/S0108270197004575","","","0.71069","MoKα","","0.0948","0.073","","0.2093","0.1811","","","","1.04","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006404","9.054","0.004","20.644","0.009","6.659","0.003","90","","98.1","0.03","90","","1232.2","0.9","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-Ethylthiophenanthrene","","- C16 H14 S -","- C16 H14 S -","- C64 H56 S4 -","4","1","KA1230","Jarno Kansikas; Kaija Sipilä","Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl)","Acta Crystallographica Section C","1997","53","8","1127","1131","10.1107/S0108270197004575","","","0.71069","MoKα","","0.0996","0.0679","","0.1553","0.1378","","","","1.03","1.103","1.103","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006405","9.067","0.003","21.123","0.007","7.007","0.003","90","","99.12","0.03","90","","1325","0.8","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-Propylthiophenanthrene","","- C17 H16 S -","- C17 H16 S -","- C68 H64 S4 -","4","1","KA1230","Jarno Kansikas; Kaija Sipilä","Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl)","Acta Crystallographica Section C","1997","53","8","1127","1131","10.1107/S0108270197004575","","","0.71069","MoKα","","0.0863","0.0504","","0.1856","0.1419","","","","1.04","1.041","1.041","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006406","9.01","0.004","23.124","0.008","6.888","0.003","90","","97.81","0.03","90","","1421.8","1","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-Butylthiophenantrene","","- C18 H18 S -","- C18 H18 S -","- C72 H72 S4 -","4","1","KA1230","Jarno Kansikas; Kaija Sipilä","Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl)","Acta Crystallographica Section C","1997","53","8","1127","1131","10.1107/S0108270197004575","","","0.71069","MoKα","","0.0779","0.0596","","0.1664","0.1303","","","","1.964","2.169","2.169","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006407","29.268","0.003","8.9925","0.0006","13.569","0.002","90","","115.063","0.006","90","","3235","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetramethylammonium hydrogen bis[bis(N,N-dimethylthiocarbamoylthio)acetate]","","- C20 H39 N5 O4 S8 -","- C20 H39 N5 O4 S8 -","- C80 H156 N20 O16 S32 -","4","0.5","KH1134","Ng, Seik Weng","Tetramethylammonium Hydrogen Bis[bis(dimethyldithiocarbamyl)acetate]","Acta Crystallographica Section C","1997","53","8","1111","1113","10.1107/S0108270197004204","","","0.71073","MoKα","","0.0499","0.0391","","0.1043","0.0985","","","","1.037","1.095","1.095","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006408","9.515","0.001","12.234","0.001","12.787","0.001","89.888","0.008","97.377","0.009","90.29","0.009","1476.1","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","Bis[aqua(chlorodifluoroacetato)triphenyltin-1,10-phenanthroline]","","- C32 H25 Cl F2 N2 O3 Sn -","- C32 H25 Cl F2 N2 O3 Sn -","- C64 H50 Cl2 F4 N4 O6 Sn2 -","2","1","KH1135","Ng, Seik Weng","Bis[aqua(chlorodifluoroacetato-<i>O</i>)triphenyltin‒1,10-phenanthroline]","Acta Crystallographica Section C","1997","53","8","1059","1061","10.1107/S0108270197003867","","","0.71073","MoKα","","0.063","0.0557","","0.1447","0.1397","","","","1.087","1.14","1.14","","","","","has coordinates","198932","2020-10-21","18:00:00",""
"2006409","10.3733","0.001","14.724","0.003","20.471","0.001","90","","90","","90","","3126.7","0.7","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cu N2 O2 -","- C18 H18 Cu N2 O2 -","- C144 H144 Cu8 N16 O16 -","8","1","KH1140","Yao, Hsueh-Hua; Lo, Jem-Mau; Chen, Bor-Hann; Lu, Tian-Huey","[<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,4-diiminobutane]copper(II)","Acta Crystallographica Section C","1997","53","8","1012","1013","10.1107/S0108270197003636","","","0.7093","MolybdenumKα","","0.04","0.04","","0.032","0.032","","","","","2.19","2.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006410","15.2699","0.0009","6.833","0.002","19.9199","0.0013","90","","90","","90","","2078.4","0.6","293","1","293","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C96 H112 O24 -","8","1","KH1143","Gable, Robert W.; Gan, Chee Yong; Lambert, John N.","Methyl 8-Hydroxy-1,2,3,4-tetrahydronaphthalene-5-carboxylate","Acta Crystallographica Section C","1997","53","8","1122","1124","10.1107/S0108270197002898","","","1.5418","CuKα(nickelfiltered)","","0.095","0.05","","0.151","0.121","","","","1.027","1.151","1.151","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2006411","14.4679","0.001","11.5916","0.001","11.456","0.003","90","0.01","107.05","0.01","90","0.009","1836.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O4 S Si -","- C16 H23 N O4 S Si -","- C64 H92 N4 O16 S4 Si4 -","4","1","KH1145","White, Jonathan M.; Green, Alison J.","<i>endo</i>-3-Trimethylsilyl-2-norbornyl 2-Nitrobenzenesulfinate","Acta Crystallographica Section C","1997","53","8","1084","1086","10.1107/S0108270197003521","","","1.5418","CuKα","","0.0688","0.0504","","0.1463","0.1307","","","","1.049","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006412","9.079","0.001","10.188","0.002","14.92","0.002","74.49","0.01","80","0.01","83.13","0.01","1305.7","0.3","289","2","289","2","","","","","","","","5","P -1","-P 1","2","","5,8-di(4-methoxy-2,3,6-trimethylbenzenesulphonyl)-1,4-dioxa-5,8-diazaocane","","- C24 H34 N2 O8 S2 -","- C24 H34 N2 O8 S2 -","- C48 H68 N4 O16 S4 -","2","1","MU1298","Van Meervelt, Luc; Kong Thoo Lin, Paul","5,8-Bis(4-methoxy-2,3,6-trimethylbenzenesulfonyl)-1,4-dioxa-5,8-diazocane","Acta Crystallographica Section C","1997","53","8","1131","1133","10.1107/S0108270197003806","","","1.54178","CuKα","","0.0604","0.058","","0.1652","0.1628","","","","1.061","1.094","1.094","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006413","14.251","0.005","11.548","0.005","14.28","0.007","90","","99.89","0.03","90","","2315.1","1.7","193","1","193","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Tetrachloro-[4-(2-(phenylamino)pyridinium)butoxo-O] (tetrahydrofuran-O)zirconium(IV)","","- C19 H26 Cl4 N2 O2 Zr -","- C19 H26 Cl4 N2 O2 Zr -","- C76 H104 Cl16 N8 O8 Zr4 -","4","1","MU1299","Polamo, Mika; Mutikainen, Ilpo; Leskelä, Markku","A Tetrahydrofuran Ring-Opening Product: <i>trans</i>-Tetrachloro{4-[2-(phenylamino)pyridinio]butoxido-<i>O</i>}(tetrahydrofuran-<i>O</i>)zirconium(IV)","Acta Crystallographica Section C","1997","53","8","1036","1037","10.1107/S0108270197003818","","","0.71073","MoKα","","0.0609","0.0435","","0.1057","0.0994","","","","1.079","1.162","1.162","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006414","11.189","0.002","13.416","0.003","19.409","0.004","90","0.02","120.73","0.02","90","0.02","2504.4","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(8-hydroxyquinolinate)iron(III) ethanol solvate","","- C29 H24 Fe N3 O4 -","- C29 H24 Fe N3 O4 -","- C116 H96 Fe4 N12 O16 -","4","1","MU1310","Pech, Lucija; Bankovsky, Yurii A.; Kemme, Andrejs; Lejejs, Janis","Tris(8-hydroxyquinolinato)iron(III) Ethanol Solvate","Acta Crystallographica Section C","1997","53","8","1043","1045","10.1107/S0108270197003831","","","0.71069","MoKα","","0.081","0.062","","0.156","0.141","","","","0.944","0.972","0.972","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006415","7.522","0.002","8.663","0.002","11.349","0.002","72.61","0.03","78.96","0.03","87.31","0.03","692.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 Ge I2 N8 -","- C32 H16 Ge I2 N8 -","- C32 H16 Ge I2 N8 -","1","0.5","MU1316","Ejsmont, Krzysztof; Kubiak, Ryszard","Isostructural Complexes of Diiodo(phthalocyaninato)germanium(IV) and Diiodo(phthalocyaninato)tin(IV)","Acta Crystallographica Section C","1997","53","8","1051","1054","10.1107/S0108270197004836","","","0.71073","MoKα","","0.0761","0.0376","","0.0916","0.0827","","","","1.055","1.165","1.165","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006416","7.618","0.002","8.551","0.002","11.602","0.002","73.34","0.03","77.2","0.03","87.05","0.03","706","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 I2 N8 Sn -","- C32 H16 I2 N8 Sn -","- C32 H16 I2 N8 Sn -","1","0.5","MU1316","Ejsmont, Krzysztof; Kubiak, Ryszard","Isostructural Complexes of Diiodo(phthalocyaninato)germanium(IV) and Diiodo(phthalocyaninato)tin(IV)","Acta Crystallographica Section C","1997","53","8","1051","1054","10.1107/S0108270197004836","","","0.71073","MoKα","","0.0436","0.03","","0.0789","0.074","","","","1.039","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006417","16.382","0.0008","6.1648","0.0006","21.6676","0.0012","90","","104.835","0.003","90","","2115.3","0.3","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,3-Dihydro-3-phenyl-1H-isoindol-1-one","","- C14 H11 N O -","- C14 H11 N O -","- C112 H88 N8 O8 -","8","1","MU1321","McNab, Hamish; Parsons, Simon; Shannon, David A.","2,3-Dihydro-3-phenyl-1<i>H</i>-isoindol-1-one at 220K","Acta Crystallographica Section C","1997","53","8","1098","1099","10.1107/S0108270197004848","","","1.54184","CuKα","","0.0454","0.0348","","0.0944","0.0893","","","","1.048","1.129","1.129","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006418","6.36","0.001","19.272","0.002","12.604","0.002","90","","93.75","0.01","90","","1541.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N'-Diphenylguanidinium hydrogenselenite monohydrate","","- C13 H17 N3 O4 Se -","- C13 H17 N3 O4 Se -","- C52 H68 N12 O16 Se4 -","4","1","NA1285","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; de Matos Gomes, E.; Martín-Gil, J.; Martín-Gil, F.J.","<i>N</i>,<i>N</i>'-Diphenylguanidinium Hydrogenselenite Monohydrate","Acta Crystallographica Section C","1997","53","8","1113","1115","10.1107/S0108270197004472","","","0.71073","MoKα","","0.1156","0.0305","","0.0813","0.062","","","","1.06","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006419","11.12","0.002","18.28","0.002","7.917","0.002","90","","98.23","0.02","90","","1592.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","11-(2-chloro-2-propenyl)-5,11-dihydroxy-2-methylanthra[1,2-b]furan-6(11H)-one","","- C20 H15 Cl O4 -","- C20 H15 Cl O4 -","- C80 H60 Cl4 O16 -","4","1","NA1287","Cambie, Richard C.; Milbank, Jared B. J.; Rickard, Clifton E. F.; Rutledge, P. Stewart","11-(2-Chloro-2-propenyl)-5,11-dihydroxy-2-methylanthra[1,2-<i>b</i>]furan-6(11<i>H</i>)-one","Acta Crystallographica Section C","1997","53","8","1102","1103","10.1107/S0108270197004289","","","0.71069","MoKα","","0.1177","0.0678","","0.237","0.182","","","","1.017","1.099","1.099","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006420","14.394","0.003","5.33","0.002","10.962","0.003","90","","99.88","0.02","90","","828.5","0.4","292","1","19","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C4 H10 O6 Zn -","- C4 H10 O6 Zn -","- C16 H40 O24 Zn4 -","4","0.5","OA1020","Ishioka, Tsutomu; Murata, Asami; Kitagawa, Yasuyuki; Nakamura, Kazuo T.","Zinc(II) Acetate Dihydrate","Acta Crystallographica Section C","1997","53","8","1029","1031","10.1107/S0108270197004484","","","1.5418","CuKα","","","0.06","","","0.118","","","","","2.28","2.28","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006421","6.454","0.002","12.752","0.004","15.387","0.005","90","","90","","90","","1266.4","0.7","108","2","","","","","","","","","","3","I b a m","-I 2 2c","72","","","","- Cs2 Mn3 Te4 -","- Cs2 Mn3 Te4 -","- Cs8 Mn12 Te16 -","4","0.25","OH1099","Wu, Eric J.; Ibers, James A.","Cs~2~Mn~3~Te~4~","Acta Crystallographica Section C","1997","53","8","993","994","10.1107/S010827019700098X","","","0.71073","MoKα","","","0.0339","","","0.0815","","","","","1.266","1.266","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006422","34.25","0.003","9.134","0.001","13.819","0.001","90","","112.7","0.1","90","","3988","3","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H31 N5 O2 -","- C19 H30 N5 O1.5 -","- C152 H240 N40 O12 -","8","1","PT1043","Gunasekaran, K.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Rajendran, T. M.; Kandaswamy, M.","4-Hydroxy-2,6-bis[(4-methylpiperazinyl)methyl]benzonitrile Monohydrate","Acta Crystallographica Section C","1997","53","8","1116","1117","10.1107/S010827019700214X","","","1.5418","CuKα","","","0.06","","","0.082","","","","","0.878","0.878","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2006423","4.093","0.001","11.438","0.002","12.365","0.002","90","","90.73","0.03","90","","578.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 N8 O4 -","- C6 H14 N8 O4 -","- C12 H28 N16 O8 -","2","0.5","QA0006","Kolev, Tsonko; .; Glavcheva, Zornitza; .; Stahl, Rainer; .; Preut, Hans; .; Bleckmann, Paul; .; Radomirska, Valentina; .","Aminoguanidinium Squarate","Acta Crystallographica Section C","1997","53","8","IUC9700010","","10.1107/S0108270197099460","","","0.56086","AgKα","","0.0559","0.034","","0.0924","0.0819","","","","1.033","1.097","1.097","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006424","12.015","0.003","9.8464","0.0015","14.912","0.002","90","","90","","90","","1764.2","0.6","294","1","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Thia-5,11-dioxatricyclo[6.2.1.0^3.8^]undec-9-en-4,4-dione","","- C8 H10 O4 S -","- C8 H10 O4 S -","- C64 H80 O32 S8 -","8","1","QA0008","Ferguson, George; Schwan, Adrian L.; Kalin, Mark L.; Snelgrove, Jennifer L.","5,11-Dioxa-4-thiatricyclo[6.2.1.0^3,8^]undec-9-ene 4,4-Dioxide","Acta Crystallographica Section C","1997","53","8","IUC9700009","","10.1107/S0108270197099472","","","0.7107","MolybdenumKα","","0.1175","0.052","","","0.1128","0.129","","","","","","0.958","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006425","8.533","0.001","12.044","0.001","13.67","0.003","91.85","0.01","92.11","0.01","100.93","0.01","1377.4","0.4","218","","218","","","","","","","","","2","P -1","-P 1","2","","","","- C16 H24 -","- C16 H24 -","- C64 H96 -","4","2","SK1013","Irngartinger, Hermann; Strack, Stefan; Gleiter, Rolf; Brand, Stefan","Octamethylcuneane and Octamethylcubane: the First X-ray Crystal Structure of a Cuneane","Acta Crystallographica Section C","1997","53","8","1145","1148","10.1107/S0108270197003740","","","0.71073","MoKα","","0.128","0.048","","","0.117","","","","","2.446","2.446","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2006426","8.562","0.001","8.562","","16.833","0.001","90","","90","","120","","1068.67","0.14","238","","238","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- C16 H24 -","- C16 H24 -","- C48 H72 -","3","0.0833333","SK1013","Irngartinger, Hermann; Strack, Stefan; Gleiter, Rolf; Brand, Stefan","Octamethylcuneane and Octamethylcubane: the First X-ray Crystal Structure of a Cuneane","Acta Crystallographica Section C","1997","53","8","1145","1148","10.1107/S0108270197003740","","","0.71073","MoKα","","0.0512","0.037","","0.093","0.088","","","","1.011","1.12","1.12","","","","","has coordinates","198519","2020-10-21","18:00:00",""
"2006427","9.3767","0.0014","10.6508","0.0008","15.825","0.002","90","","90","","90","","1580.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","methyl 2-O-α-D-mannopyranosyl-β-D-glucopyranoside.","","- C13 H24 O11 -","- C13 H24 O11 -","- C52 H96 O44 -","4","1","SK1034","Eriksson, Lars; Stenutz, Roland; Widmalm, Gőran","Methyl 2-<i>O</i>-α-<small>D</small>-Mannopyranosyl-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","1997","53","8","1105","1107","10.1107/S0108270197004769","","","1.54184","CuKα","","0.036","0.0329","","0.0801","","","","","1.05","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006428","29.608","0.002","23.6935","0.0009","11.8195","0.0005","90","","90","","90","","8291.6","0.7","298","2","298","2","","","","","","","","5","C m c a","-C 2ac 2","64","","Tetramethylammonium Bis(coumarin-3-carboxylato)triphenylstannate Ethanol Solvate","","- C44 H43 N O9 Sn -","- C44 H44 N O9 Sn -","- C352 H352 N8 O72 Sn8 -","8","","SK1052","Ng, Seik Weng; Kumar Das, V.G.","Tetramethylammonium Bis(coumarin-3-carboxylato)triphenylstannate Ethanol Solvate","Acta Crystallographica Section C","1997","53","8","1034","1036","10.1107/S0108270197004307","","","0.71073","MoKα","","0.0625","0.0355","","0.0991","0.089","","","","0.997","1.125","1.125","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2006429","9.349","0.002","11.853","0.003","13.548","0.004","77.92","0.02","69.7","0.02","68.38","0.02","1303.3","0.6","294","","294","","","","","","","","","5","P -1","-P 1","2","","[7,8,17,18-tetracyano-5,10,15,20-tetraphenylporphyrinato]-bis(pyridine) nickel(II)","","- C60 H42 N10 Ni O2 -","- C60 H42 N10 Ni O2 -","- C60 H42 N10 Ni O2 -","1","0.5","SK1059","Duval, Hugues; Bulach, Véronique; Fischer, Jean; Weiss, Raymond","Bis(pyridine-<i>N</i>)(7,8,17,18-tetracyano-5,10,15,20-tetraphenylporphyrinato)nickel(II) Dimethanol Solvate","Acta Crystallographica Section C","1997","53","8","1027","1029","10.1107/S0108270197003995","","","0.71073","MoKα","","0.059","0.049","","","0.074","","","","","1.651","1.651","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2006430","15.7566","0.0009","15.9146","0.0009","9.5363","0.0007","90","","106.854","0.005","90","","2288.6","0.3","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","Carbazole-barium-pentakis(THF)-THF","","","- C48 H64 Ba N2 O6 -","- C48 H64 Ba N2 O6 -","- C96 H128 Ba2 N4 O12 -","2","0.5","SK1064","Näther, Christian; Hauck, Tim; Bock, Hans","Pentakis(tetrahydrofuran)barium Bis(carbazolate) Tetrahydrofuran Solvate","Acta Crystallographica Section C","1997","53","8","1061","1063","10.1107/S0108270197003363","","","0.71073","MoKα","","0.0233","0.0233","","0.0564","0.0564","","","","1.148","1.147","1.147","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006431","4.934","0.002","7.422","0.001","48.561","0.001","90","0.01","90","0.02","90","0.02","1778.3","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Dodecanoyl-L-Serine","","- C15 H31 N O5 -","- C15 H31 N O5 -","- C60 H124 N4 O20 -","4","1","SK1078","Schade, Boris; Fuhrhop, Jürgen-Hinrich; Hubert, Vera; Weber, Manuela; Luger, Peter","Hydrogen-Bonding Networks Involving Water in Amphiphilic <i>N</i>-Dodecanoyl-<small>L</small>-serine Monohydrate","Acta Crystallographica Section C","1997","53","8","1070","1073","10.1107/S0108270197004903","","","1.5418","Ni-filteredCuKα","","0.0558","0.0336","","0.0883","0.0787","","","","1.091","1.097","1.097","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006432","10.3727","0.0008","16.812","0.002","9.496","0.005","90","","92.585","0.014","90","","1654.3","0.9","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Authors naming system: catena-poly[{diaqua(furancarboxylato-O,O')lanthanum-bis-μ-furancarboxylato- O, O':O;O:O,O'-diaqua(furancarboxylato-O,O')lanthanum}-μ-furancarboxylato- O:O';O:O']","","- C15 H13 La O11 -","- C15 H9 La O11 -","- C60 H36 La4 O44 -","4","1","SK1088","Li, Xia; Chen, Xue-An; Zhao, Ling; Chen, Ben-Ming","<i>catena</i>-Diaquatris(α-furancarboxylato)lanthanum(III)","Acta Crystallographica Section C","1997","53","8","1015","1017","10.1107/S0108270197004022","","","0.71073","MoKα","","","0.0373","","","0.0997","","","","","1.149","1.149","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006433","10.0301","0.0006","11.7403","0.0007","11.766","0.0007","95.559","0.005","90.617","0.005","97.323","0.005","1367.38","0.14","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1-(1-Cyanocyclohexyl)-1-hydroxy-3-phenylurea","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C56 H68 N12 O8 -","4","2","SK1102","Frydenvang, Karla; Larsen, Ingrid Kjøller","1-(1-Cyanocyclohexyl)-1-hydroxy-3-phenylurea","Acta Crystallographica Section C","1997","53","8","1091","1093","10.1107/S0108270197004617","","","1.54184","CuKα","","0.0703","0.04","","0.1171","","0.1048","","","0.973","","","1.075","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006434","7.393","0.001","8.827","0.002","19.907","0.003","90","","90","","90","","1299.1","0.4","122","2","122","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)(R)-5,5-Dimethylmorpholinyl-2-Acetic Acid Ethyl Ester Hydrochloride","","- C10 H20 Cl N O3 -","- C10 H20 Cl N O3 -","- C40 H80 Cl4 N4 O12 -","4","1","SK1104","Frydenvang, Karla; Enna, Sam J.; Krogsgaard-Larsen, Povl","({-})-(<i>R</i>)-5,5-Dimethylmorpholinyl-2-acetic Acid Ethyl Ester Hydrochloride, C~10~H~20~NO~3~^+^.Cl^{-^}","Acta Crystallographica Section C","1997","53","8","1088","1091","10.1107/S0108270197004290","","","1.5418","CuKα","","0.0276","0.027","","0.0758","","0.0752","","","1.082","","","1.087","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006435","7.529","0.002","13.278","0.002","20.457","0.003","90","","92.14","0.02","90","","2043.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cl4 Cu2 N4 O4 -","- C40 H52 Cl4 Cu2 N4 O4 -","- C80 H104 Cl8 Cu4 N8 O8 -","2","0.5","TA1126","Ahn, Tae-Ho; Lee, Sueg-Geun; Kim, Jeong; Kim, Si-Joong; Suh, Il-Hwan","Di-μ-chloro-bis[chloro(6,7,8,9,10,11,18,19-octahydro-5<i>H</i>,17<i>H</i>-dibenzo[<i>f</i>,<i>o</i>][1,5,9,13]dioxadiazacyclohexadecane)copper(II)]","Acta Crystallographica Section C","1997","53","8","1020","1022","10.1107/S0108270197004496","","","0.71069","MoKα","","0.0724","0.0495","","0.0996","0.0893","","","","1.062","1.103","1.103","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006436","7.0337","0.0002","8.3981","0.0002","37.9873","0.0011","90","","90","","90","","2243.9","0.11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","estrone-3-glucuronide","17-oxoestra-1,3,5(10)-triene-3-yl-b-D-glucopyranosiduronic acid hydrate","","- C24 H32 O9 -","- C24 H29 O9 -","- C96 H116 O36 -","4","1","TA1138","C. Mark Smales; Leonard F. Blackwell; Joyce M. Waters; Anthony K. Burrell","An Estrone‒Glucuronide Conjugate","Acta Crystallographica Section C","1997","53","8","1082","1084","10.1107/S0108270197004629","","","0.71073","MoKα","","0.0636","0.0513","","0.133","0.1135","","","","1.132","1.156","1.156","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006437","8.364","0.002","12.684","0.003","12.224","0.002","90","","92.36","0.03","90","","1295.7","0.5","294","","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","S-methyl-(-N-(dimethylaminophenyl)-methylenedithiocarbazate","","","- C11 H15 N3 S2 -","- C11 H15 N3 S2 -","- C44 H60 N12 S8 -","4","1","TA1150","Cun-Yuan Zhao; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Thomas C. W. Mak","<i>S</i>-Methyl β-<i>N</i>-[4-(Dimethylamino)benzylidene]dithiocarbazate","Acta Crystallographica Section C","1997","53","8","1151","1153","10.1107/S0108270197004691","","","0.71073","MoKα","","0.0561","0.0789","","0.0803","0.0852","","","","1.08","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006438","9.28","0.05","9.83","0.04","15.24","0.1","90","","93.24","0.1","90","","1388","13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","1","VJ1051","Sriram, D.; Srinivasan, S.; Santhosh, K.C.; Balasubramanian, K.K.","6-Methyl-3-phenylthiochroman-4-one and 6-Methoxy-3-phenylthiochroman-4-one: Configurational Preference of the Phenylthio Group at the Third Position due to Remote Substitution","Acta Crystallographica Section C","1997","53","8","1073","1075","10.1107/S010827019700396X","","","0.71073","MoKα","","0.0608","0.0491","","0.1305","0.1225","","","","1.08","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006439","13.113","0.004","15.26","0.006","6.762","0.005","90","","92.36","0.04","90","","1352","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O3 S -","- C16 H14 O3 S -","- C64 H56 O12 S4 -","4","1","VJ1051","Sriram, D.; Srinivasan, S.; Santhosh, K.C.; Balasubramanian, K.K.","6-Methyl-3-phenylthiochroman-4-one and 6-Methoxy-3-phenylthiochroman-4-one: Configurational Preference of the Phenylthio Group at the Third Position due to Remote Substitution","Acta Crystallographica Section C","1997","53","8","1073","1075","10.1107/S010827019700396X","","","0.71073","MoKα","","0.059","0.0474","","0.1306","0.1214","","","","1.058","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006440","7.8642","0.0013","9.423","0.004","14.008","0.004","90","","90","","90","","1038.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 N O6 -","- C8 H15 N O6 -","- C32 H60 N4 O24 -","4","1","VJ1056","Sriram, D.; Sreenivasan, H.; Srinivasan, S.; Priya, K.; Vishnu Thirtha, M.; Loganathan, D.","β-1-<i>N</i>-Acetamido-<small>D</small>-glucopyranose","Acta Crystallographica Section C","1997","53","8","1075","1077","10.1107/S0108270197003600","","","0.71073","MoKα","","0.0446","0.0328","","0.076","0.0697","","","","1.111","1.128","1.128","","","","","has coordinates","201955","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",""
"2006442","9.4077","0.0012","10.1752","0.001","12.5542","0.0013","71.698","0.009","86.98","0.009","77.019","0.01","1111.6","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,4-Methano-1,4,4a,9a-Tetrahydroanthracene-9,10-Dione","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","2","AB1411","Günes̨, Bilal; Soylu, Hüseyin; Özbey, Süheyla; Kendi, Engin; Aydın, Ali","The 4:2 Diels‒Alder Adduct of 1,3-Cyclopentadiene with 1,4-Naphthoquinone","Acta Crystallographica Section C","1997","53","9","1301","1302","10.1107/S0108270197005830","","","0.71073","MoKα","","","0.0624","","0.1292","","","","","1.481","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006443","9.951","0.002","10.877","0.002","11.156","0.002","68.2","0.02","66.68","0.02","88.39","0.02","1019.5","0.4","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 Cu N2 O3 -","- C21 H30 Cu N2 O3 -","- C42 H60 Cu2 N4 O6 -","2","1","AB1436","Hsueh-Hua Yao; Bor-Hann Chen; Jem-Mau Lo; Fen-Ling Liao","The Dimeric Complex {2,2'-[2,2-Dimethyl-1,3-propanediylbis(aminomethyl)]diphenolato-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}copper(II) Ethanol Solvate","Acta Crystallographica Section C","1997","53","9","1222","1224","10.1107/S0108270197093980","","","0.71073","MoKα","","","0.0378","","","0.0475","","","","","1.47","1.47","","","","","has coordinates","208357","2020-10-21","18:00:00",""
"2006444","11.081","0.003","15.147","0.008","15.668","0.008","90","","96.14","0.03","90","","2615","2","203","","203","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","anti-2,5-di(isopropyl)phenyldi(1-tricyclo[3.3.1.1^3,7^]decyl)methanol","","- C33 H48 O -","- C33 H48 O -","- C132 H192 O4 -","4","1","AB1450","Vaissermann, Jacqueline; Lomas, John S.","A Highly Strained Tertiary Alcohol: <i>anti</i>-Di(1-adamantyl)[2,5-di(isopropyl)phenyl]methanol","Acta Crystallographica Section C","1997","53","9","1341","1343","10.1107/S010827019700629X","","","0.71069","MoKα","","","0.0875","","","","0.0892","","","","","","1.1414","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006445","13.228","0.003","12.805","0.002","16.817","0.006","90","","119.35","0.02","90","","2482.9","1.2","288","2","288","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O3 S2 -","- C26 H26 N2 O3 S2 -","- C104 H104 N8 O12 S8 -","4","1","AB1451","Park, Koon Ha; Kang, Jin Soo; Oh, Mi-Ran; Suh, Il-Hwan","4,4'-Bis(acetylamino)-2,2'-di(2-thienyl)biphenyl‒Ethanol (1/1)","Acta Crystallographica Section C","1997","53","9","1320","1322","10.1107/S0108270197006306","","","0.71069","MoKα","","0.1478","0.05","","0.1214","0.0881","","","","0.737","1.041","1.041","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006446","8.1949","0.0008","13.754","0.0007","11.35","0.002","90.22","0.007","93.333","0.009","90.082","0.007","1277.1","0.3","294","1","294","1","","","","","","","","3","P -1","-P 1","2","","4,12,16,24-Tetrahydroxycalix[4]arene Methanol Solvate (1:2)","","- C30 H32 O6 -","- C30 H32 O6 -","- C60 H64 O12 -","2","1","AB1469","Böhmer, Volker; Ferguson, George; Frings, Michael","4,12,16,24-Tetrahydroxycalix[4]arene‒Methanol (1/2)","Acta Crystallographica Section C","1997","53","9","1293","1295","10.1107/S0108270197003703","","","0.7107","MolybdenumKα","","0.1032","0.0465","","0.1493","","0.133","","","0.957","","","1.19","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006447","5.9564","0.0008","7.883","0.0003","23.293","0.0003","90","","97.18","0.01","90","","1085.13","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CpCo(dmit)","(4,5-disulfanyl-1,3-dithiole-2-thionato)(η-cyclopentadienyl)cobalt(III)","","- C8 H5 Co S5 -","- C8 H5 Co S5 -","- C32 H20 Co4 S20 -","4","1","AB1475","Fourmigué, Marc; Perrocheau, Vincent","Two Heteroleptic Cobalt(III) Cyclopentadienyl/Dithiolene Complexes","Acta Crystallographica Section C","1997","53","9","1213","1215","10.1107/S0108270197005544","","","0.71073","MoKα","","0.0758","0.0316","","0.0864","0.0733","","","","1.075","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006448","12.14","0.002","11.488","0.002","12.698","0.003","90","","110.91","0.02","90","","1654.3","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cp^*^Co(dmit)","(4,5-disulfanyl-1,3-dithiole-2-thionato)(η-pentamethylcyclopentadienyl) cobalt(III)","","- C13 H15 Co S5 -","- C13 H15 Co S5 -","- C52 H60 Co4 S20 -","4","1","AB1475","Fourmigué, Marc; Perrocheau, Vincent","Two Heteroleptic Cobalt(III) Cyclopentadienyl/Dithiolene Complexes","Acta Crystallographica Section C","1997","53","9","1213","1215","10.1107/S0108270197005544","","","0.71073","MoKα","","0.09","0.05","","0.064","0.055","","","","1.11","1.193","1.193","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006449","9.678","0.008","10.701","0.009","7.28","0.006","90.15","0.05","104.32","0.05","71.59","0.05","690.8","1","294","","294","","","","","","","","","5","P -1","-P 1","2","","bis(8-aminoquinoline)dichlorodimethyltin(IV)","","- C11 H14 Cl2 N2 Sn -","- C11 H14 Cl2 N2 Sn -","- C22 H28 Cl4 N4 Sn2 -","2","1","AB1483","Alan Hazell; Kar Fong Thong; Jiexiang Ouyang; Lian Ee Khoo","(8-Aminoquinoline-<i>N</i>,<i>N</i>')dichlorodimethyltin(IV)","Acta Crystallographica Section C","1997","53","9","1226","1228","10.1107/S0108270197006331","","","0.71073","MoKα","","","0.055","","","0.066","","","","","1.671","1.671","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2006450","12.108","0.002","12.155","0.002","18.884","0.004","104.37","0.03","100.67","0.03","100.8","0.03","2565","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Mo(CO)(dpepp)(dppm)] (dppm = Ph~2~PCH~2~PPh~2~, dpepp = Ph~2~PCH~2~CH~2~P(Ph)CH~2~CH~2~PPh~2~)","carbonyl[bis[2-(diphenylphosphino)ethyl)]phenylphosphine- P,P',P''][methylenebis(diphenylphosphino)- P,P']molybdenum(0)","","- C60 H55 Mo O P5 -","- C60 H55 Mo O P5 -","- C120 H110 Mo2 O2 P10 -","2","1","BK1241","George, T. Adrian; DeBord, Jeffrey R. D.; Heier, Kevin; Tisdale, Robert C.; Davies, Marcia C.; Haas, Eric J.; Ross II, Charles R.; Stezowski, John J.","[Mo(C~25~H~22~P~2~)(C~34~H~33~P~3~)(CO)]","Acta Crystallographica Section C","1997","53","9","1251","1254","10.1107/S0108270196015806","","","0.71073","MoKα","","0.0821","0.051","","0.134","0.116","","","","1.02","1.05","1.05","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006451","8.903","0.003","14.911","0.004","19.778","0.004","90","","98.337","0.002","90","","2597.8","1.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","triphenylphosphine oxide.di-isopropyl azodicarboxylate","triphenylphosphine oxide . di-isopropyl azodicarboxylate adduct","","- C26 H31 N2 O5 P -","- C26 H31 N2 O5 P -","- C104 H124 N8 O20 P4 -","4","1","BK1276","Héroux, A.; Brisse, F.","Diisopropyl Hydrazocarboxylate‒Triphenylphosphine Oxide Adduct","Acta Crystallographica Section C","1997","53","9","1318","1320","10.1107/S0108270197005489","","","1.54018","CopperKα","","0.05","0.047","","0.056","0.056","","","","","4.22","4.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006452","11.5","0.004","7.97","0.002","16.521","0.003","90","","103.06","0.02","90","","1475.1","0.7","153.2","","153.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu F4 N2 O4 W -","- C10 H10 Cu0.67 F4.02 N2 O3.98 W0.67 -","- C40 H40 Cu2.68 F16.08 N8 O15.92 W2.68 -","4","1","BK1279","Halasyamani, Shiv; Heier, Kevin R.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.","CuW(py)~2~(H~2~ O)~2~O~2~F~4~ and CuW(py)~4~O~2~F~4~","Acta Crystallographica Section C","1997","53","9","1240","1244","10.1107/S0108270197005490","","","0.7107","MoKα","","","0.04","","","0.047","","","","","3.41","3.41","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2006453","10.45","0.002","13.396","0.003","16.067","0.007","90","","97.33","0.02","90","","2230.8","1.2","153.2","","153.2","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cu F4 N4 O2 W -","- C20 H20 Cu F4.02 N4 O1.98 W -","- C80 H80 Cu4 F16.08 N16 O7.92 W4 -","4","0.5","BK1279","Halasyamani, Shiv; Heier, Kevin R.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.","CuW(py)~2~(H~2~ O)~2~O~2~F~4~ and CuW(py)~4~O~2~F~4~","Acta Crystallographica Section C","1997","53","9","1240","1244","10.1107/S0108270197005490","","","0.7107","MoKα","","","0.038","","","0.05","","","","","4.45","4.45","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2006454","10.396","0.001","14.468","0.002","12.155","0.002","90","","112.53","0.01","90","","1688.7","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(2,2,6,6-tetramethyl-piperidinyl-1-oxy-O)bis(1,1,1,5,5,5- hexafluoroacetylacetonato-O,O"")cobalt(II)","","- C28 H38 Co F12 N2 O6 -","- C28 H38 Co F12 N2 O6 -","- C56 H76 Co2 F24 N4 O12 -","2","0.5","BK1320","Dickman, Michael H.","Bis(1,1,1,5,5,5-hexafluoroacetylacetonato-<i>O</i>,<i>O</i>')bis(2,2,6,6-tetramethylpiperidinyl-1-oxy-<i>O</i>)cobalt(II)","Acta Crystallographica Section C","1997","53","9","1192","1195","10.1107/S0108270197005945","","","0.71073","MoKα","","0.0711","0.044","","0.112","0.0989","","","","1.03","1.089","1.089","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006455","6.9122","0.0006","13.1517","0.0011","7.8098","0.0007","90","","93.324","0.001","90","","708.77","0.11","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","4-iodobenzaldehyde","","- C7 H5 I O -","- C7 H5 I O -","- C28 H20 I4 O4 -","4","2","BK1329","Britton, Doyle; Young Jr, Victor G.","<i>p</i>-Iodobenzaldehyde","Acta Crystallographica Section C","1997","53","9","1359","1362","10.1107/S0108270197006288","","","0.71073","MoKα","","0.025","0.025","","0.0672","0.0671","","","","1.09","1.085","1.085","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006456","11.217","0.001","8.1008","0.0003","14.4403","0.0008","90","","104.34","0.01","90","","1271.26","0.15","297","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","1,8-Dichloro-9,10-dihydro-9,10-ethenoanthracene","","- C16 H10 Cl2 -","- C16 H10 Cl2 -","- C64 H40 Cl8 -","4","1","BK1334","Benites, Maria del Rosario; Maverick, Andrew W.; Fronczek, Frank R.","1,8-Dichloro-9,10-dihydro-9,10-ethenoanthracene","Acta Crystallographica Section C","1997","53","9","1334","1335","10.1107/S0108270197006355","","","1.54184","Cu-Kα","","","0.039","","","","0.059","","","","","","2.301","","","","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",""
"2006458","10.77","0.002","10.045","0.002","16.499","0.004","90","","105.07","0.02","90","","1723.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6a,7-dihydro-2,6-dimethyl-7-phenyl- 6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a] pyrimidine-6a-ol","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C80 H72 N16 O8 -","4","1","BM1134","Kovalevsky, A. Yu.; Chebanov, V. A.; Desenko, S. M.; Komykhov, S. A.; Orlov, V. D.; Shishkin, O. V.; Meier, H.","6a,7-Dihydro-2,6-dimethyl-7-phenyl-6<i>H</i>-chromeno[4,3-<i>d</i>]-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-6a-ol","Acta Crystallographica Section C","1997","53","9","1356","1357","10.1107/S0108270197003569","","","0.71073","MoKα","","0.091","0.043","","0.201","0.108","","","","1.152","1.149","1.149","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006459","25.76","0.004","8.159","0.0018","27.156","0.004","90","","116.257","0.012","90","","5118.6","1.7","160","2","160","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 As Cl F6 N2 S2 -","- C7 H4 As Cl F6 N2 S2 -","- C112 H64 As16 Cl16 F96 N32 S32 -","16","4","BM1156","Clegg, William; Elsegood, Mark R.J.; Banister, Arthur J.; Hibbert, Thomas G.","5-(<i>o</i>-Chlorophenyl)-1,3-dithia-2,4-diazolylium Hexafluoroarsenate","Acta Crystallographica Section C","1997","53","9","1208","1211","10.1107/S0108270197009165","","","0.71073","MoKα","","0.0646","0.0413","","0.1154","0.1001","","","","1.075","1.091","1.091","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006460","9.827","0.004","9.827","0.004","31.658","0.006","90","","90","","120","","2647.6","1.6","295","2","295","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Br4 Re6 Se7 -","- Br4 Re6 Se7 -","- Br24 Re36 Se42 -","6","0.166667","BR1146","Pinheiro, Carlos Basílio; Speziali, Nivaldo Lúcio; Berger, Helmut","Re~6~Se~7~Br~4~","Acta Crystallographica Section C","1997","53","9","1178","1180","10.1107/S0108270197004666","","","0.56083","AgKα","","","0.026","","","0.037","","","","","3.304","3.304","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006461","14.067","0.001","8.163","0.002","8.161","0.002","90","","90","","90","","937.1","0.3","293","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Cs F5 Tb -","- Cs F5 Tb -","- Cs8 F40 Tb8 -","8","","BR1167","Gaumet, Vincent; Avignant, Daniel","Caesium Pentafluoroterbate, CsTbF~5~","Acta Crystallographica Section C","1997","53","9","1176","1178","10.1107/S0108270197005556","","","0.71073","MoKα","","","0.026","","","0.028","","","","","1.339","1.339","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006462","7.848","0.002","19.867","0.004","10.773","0.003","90","","90","","90","","1679.7","0.7","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","hydrated strontium iron (III) fluoride","","","- F10 Fe2 H2 O Sr2 -","- F10 Fe2 H2 O Sr2 -","- F80 Fe16 H16 O8 Sr16 -","8","0.5","","Jean-Marc Le Meins; Annie Hemon-Ribaud; Georges Courbion","Sr~2~Fe~2~F~10~.H~2~O, the First Hydrated Strontium Iron(III) Fluoride","Acta Crystallographica Section C","1997","53","","1165","1166","","","","","","","","0.0321","","","0.0683","","","","","","","","","","","has coordinates","191889","2020-10-21","18:00:00",""
"2006463","5.1636","0.001","8.0324","0.001","14.8009","0.0002","95.796","0.001","90.315","0.001","108.078","0.001","580.16","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","cesium trizinc phosphate bis(hydrogenphosphate)","","- Cs H2 O12 P3 Zn3 -","- Cs O12 P3 Zn3 -","- Cs2 O24 P6 Zn6 -","2","1","BR1177","Pingyun Feng; Xianhui Bu; Galen D. Stucky","A Caesium Zinc Phosphate Constructed from Ladder-Like Four-Ring Chains","Acta Crystallographica Section C","1997","53","9","1170","1173","10.1107/S0108270197004423","","","0.71073","MoKα","","0.0479","0.0384","","0.11","0.0904","","","","0.988","0.909","0.909","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006464","14.636","0.002","15.185","0.003","17.928","0.002","90","","90","","90","","3984.5","1.1","293","","293","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","{2,6-bis[(4R,5R)-1,3-dimethyl-4,5-diphenylimidazolidin- 2-yl]pyridine-N^1^,N,N^1^'}chloro-copper(II) hexafluorophosphate methanol solvate","","- C39.5 H43 Cl Cu F6 N5 O0.5 P -","- C39.5 H43 Cl Cu F6 N5 O0.5 P -","- C158 H172 Cl4 Cu4 F24 N20 O2 P4 -","4","1","CF1153","Bohnen, Frank M.; Goddard, Richard; Minidis, Alexander B. E.; Alexakis, Alexandre; Pfaltz, Andreas","A Copper(II) Complex of a New Chiral Tridentate Imidazoline Ligand","Acta Crystallographica Section C","1997","53","9","1236","1238","10.1107/S0108270197003673","","","0.71069","MoKα","","0.196","0.059","","","0.139","0.179","","","","","","1.007","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006465","12.201","0.002","12.8625","0.0014","18.571","0.002","90","","90","","90","","2914.4","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Isoalangidiol monoacetate","(3α,18α)-B':A'-Neogammacerane-3,18-diol","","- C32 H54 O3 -","- C32 H54 O3 -","- C128 H216 O12 -","4","1","DE1038","Bhattacharyya, Kinkini; Chaudhuri, Siddhartha; Achari, Basudeb; Mazumdar, Biswanath; Mazumdar, Sunil Kumar","Isoalangidiol Monoacetate, a Triterpene Alcohol","Acta Crystallographica Section C","1997","53","9","1299","1301","10.1107/S0108270196014126","","","0.71073","MoKα","","0.0655","0.0525","","0.1575","0.1353","","","","0.981","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006466","18.033","0.009","14.019","0.009","8.973","0.005","90","","90","","90","","2268","2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","α-(4‒Hydroxy phenyl)-N-Phenyl nitrone","N-(p-Hydroxy Benzylidene)phenylamine N-oxide","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C104 H88 N8 O16 -","8","1","DE1054","Vijayalakshmi, L.; Parthasarathi, V.; Manishanker, P.","<i>N</i>-(<i>p</i>-Hydroxybenzylidene)phenylamine <i>N</i>-Oxide","Acta Crystallographica Section C","1997","53","9","1343","1344","10.1107/S010827019700560X","","","0.7071","MoKα","","0.146","0.035","","0.115","0.079","","","","0.972","1.043","1.043","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006468","12.7982","0.0009","6.3937","0.0007","10.5853","0.0009","90","","90","","90","","866.2","0.1","110","3","110","3","","","","","","","","4","P n a 21","P 2c -2n","33","Potassium titanyl phosphate","Potassium oxotitanium phosphate(V)","","- K O5 P Ti -","- K O5 P Ti -","- K8 O40 P8 Ti8 -","8","2","DU1171","Dahaoui, Slimane; Hansen, Niels K.; Menaert, Bertrand","NaTiOPO~4~ and KTiOPO~4~ at 110 K","Acta Crystallographica, Section C: Crystal Structure Communications","1997","53","9","1173","1176","10.1107/s0108270197004265","","","0.56087","AgKα","","0.0123","0.0123","","","0.0119","","","","","1","1","","","","","has coordinates,has Fobs","180689","2020-10-21","18:00:00",""
"2006469","8.619","0.001","13.983","0.001","7.344","0.001","94.17","0.01","68.69","0.01","102.14","0.01","806.13","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Sodium 1,6-diammoniumhexane cyclotriphosphate dihydrate","","- C6 H22 N2 Na O11 P3 -","- C6 H22 N2 Na O11 P3 -","- C12 H44 N4 Na2 O22 P6 -","2","1","DU1172","Thabet, Hédi; Jouini, Amor","Sodium 1,6-Hexanediammonium Cyclotriphosphate Dihydrate","Acta Crystallographica Section C","1997","53","9","1182","1184","10.1107/S0108270197005623","","","0.71069","MoKα","","0.0357","0.0259","","0.0754","0.0696","","","","1.05","1.066","1.066","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006470","22.822","0.003","7.667","0.001","14.697","0.001","90","","106.31","0.01","90","","2468.1","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-benzoyl-2-methylindole","","- C16 H13 N O -","- C16 H13 N O -","- C128 H104 N8 O8 -","8","1","FG1244","M. Paz Martinez-Alcazar; Isabel Fonseca; Felix H. Cano; J. Gonzalo Rodriguez; Anahi Urrutia","3-Benzoyl-2-methylindole","Acta Crystallographica Section C","1997","53","9","1345","1347","10.1107/S0108270197005180","","","1.5418","CuKα","","0.0701","0.0644","","0.1547","0.1503","","","","1.13","1.203","1.203","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006471","11.38","0.002","11.541","0.002","17.111","0.003","104.95","0.02","98.2","0.02","91.1","0.02","2145.3","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Triphenylsilyl(pentacarbonyl)manganese(I)","","","- C23 H15 Mn O5 Si -","- C23 H15 Mn O5 Si -","- C92 H60 Mn4 O20 Si4 -","4","2","FG1256","Anne-Marie Lebuis; Dharamdat Christendat; Denis F. R. Gilson; Ian S. Butler","Pentacarbonyl(triphenylsilyl)manganese(I)","Acta Crystallographica Section C","1997","53","9","1206","1208","10.1107/S0108270197005192","","","0.7107","MoKα","","0.1542","0.069","","0.1078","0.0863","","","","0.918","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006472","13.847","0.003","9.232","0.002","14.681","0.003","90","","108.57","0.03","90","","1779","0.7","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","bis(triphenylphosphinesulfide-S)gold(I) difluorophosphate(V)","","- C36 H30 Au F2 O2 P3 S2 -","- C36 H30 Au F2.024 O2.024 P3 S2 -","- C72 H60 Au2 F4.048 O4.048 P6 S4 -","2","0.5","FG1269","LeBlanc, Daren J.; Britten, James F.; Lock, Colin J.L.","Bis(triphenylphosphine sulfide-<i>S</i>)gold(I) Difluorophosphate(V)","Acta Crystallographica Section C","1997","53","9","1204","1206","10.1107/S0108270197005209","","","0.56086","AgKα","","0.0728","0.0496","","0.1164","0.1095","","","","0.912","1.025","1.025","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006473","15.266","0.002","16.262","0.003","14.1071","0.0015","90","","90","","90","","3502.2","0.9","294","","294","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C192 H144 O16 -","8","1","FG1285","Jones, Ray; Rattray, A. Graham M.; Scheffer, John R.; Trotter, James","Methyl 8c-Phenyl-4b,8b,8c,8d-tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b-carboxylate","Acta Crystallographica Section C","1997","53","9","1262","1263","10.1107/S0108270197005258","","","1.5418","CuKα","","0.0569","0.0406","","","","0.1178","","","","","","2.22","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006474","8.766","0.002","17.885","0.002","12.612","0.002","90","","103.661","0.011","90","","1921.4","0.6","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","1","FG1286","Jones, Ray; Rattray, A. Graham M.; Scheffer, John R.; Trotter, James","<i>N</i>,<i>N</i>-Diethyl-<i>N</i>'-methyl-4b,8b,8c,8d-tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b,8c-dicarboxamide","Acta Crystallographica Section C","1997","53","9","1263","1265","10.1107/S010827019700526X","","","1.5418","CuKα","","0.072","0.043","","","","0.119","","","","","","1.78","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006475","7.4058","0.0009","8.7129","0.001","6.0114","0.0006","94.915","0.01","102.386","0.01","114.847","0.008","336.96","0.07","296","","296","","","","","","","","","4","P -1","-P 1","2","2-bromosenecioic acid","2-bromo-3-methyl-2-butenoic acid","","- C5 H7 Br O2 -","- C5 H7 Br O2 -","- C10 H14 Br2 O4 -","2","1","FG1293","Gerkin, Roger E.","2-Bromo-3-methyl-2-butenoic Acid (2-Bromosenecioic Acid)","Acta Crystallographica Section C","1997","53","9","1278","1280","10.1107/S0108270197005647","","","0.71073","MoKα","","","0.043","","","","0.029","","","","","","1.81","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006476","19.604","0.002","9.7659","0.0012","17.8787","0.0018","90","","105.524","0.008","90","","3298","0.6","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,13-Dithia[3]metacyclo[3](2,3)-naphthalenophane","","- C20 H18 S2 -","- C20 H18 S2 -","- C160 H144 S16 -","8","1","FG1295","Jones, Peter G.; Kuś, Piotr","2,13-Dithia[3]metacyclo[3](2,3)naphthalenophane and 2,13-Dithia[3]metacyclo[3](1,7)naphthalenophane","Acta Crystallographica Section C","1997","53","9","1307","1310","10.1107/S0108270197003946","","","0.71073","MoKα","","0.0476","0.0354","","0.0976","0.0934","","","","1.025","1.119","1.119","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006477","8.846","0.002","13.178","0.003","13.876","0.003","90","","101.28","0.02","90","","1586.3","0.6","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,13-Dithia[3]metacyclo[3](1,7)-naphthalenophane","","- C20 H18 S2 -","- C20 H18 S2 -","- C80 H72 S8 -","4","1","FG1295","Jones, Peter G.; Kuś, Piotr","2,13-Dithia[3]metacyclo[3](2,3)naphthalenophane and 2,13-Dithia[3]metacyclo[3](1,7)naphthalenophane","Acta Crystallographica Section C","1997","53","9","1307","1310","10.1107/S0108270197003946","","","0.71073","MoKα","","0.09","0.0513","","0.1273","0.1147","","","","0.921","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006478","20.12","0.004","13.075","0.004","6.149","0.004","90","","90","","90","","1617.6","1.2","294","","294","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H26 O -","- C18 H26 O -","- C72 H104 O4 -","4","1","FG1298","Fu, Tai Y.; Leibovitch, Mordechai; Scheffer, John R.; Trotter, James","(<i>Z</i>)-1-Benzoyl-4-<i>tert</i>-butyl-1-methylcyclohexane and (<i>Z</i>)-4-<i>tert</i>-Butyl-1-methyl-1-thiobenzoylcyclohexane","Acta Crystallographica Section C","1997","53","9","1255","1256","10.1107/S0108270197005283","","","1.5418","CuKα","","0.0627","0.0368","","","","0.1104","","","","","","1.12","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006479","12.853","0.001","32.252","0.003","7.945","0.001","90","","90","","90","","3293.5","0.6","294","","294","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H26 S -","- C18 H26 S -","- C144 H208 S8 -","8","1","FG1298","Fu, Tai Y.; Leibovitch, Mordechai; Scheffer, John R.; Trotter, James","(<i>Z</i>)-1-Benzoyl-4-<i>tert</i>-butyl-1-methylcyclohexane and (<i>Z</i>)-4-<i>tert</i>-Butyl-1-methyl-1-thiobenzoylcyclohexane","Acta Crystallographica Section C","1997","53","9","1255","1256","10.1107/S0108270197005283","","","1.5418","CuKα","","0.0641","0.0472","","","","0.1189","","","","","","2.36","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006480","23.91","0.003","5.492","0.004","16.831","0.003","90","","112.208","0.012","90","","2046.2","1.6","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Diethyl-bis-thiophenyl propenoato tin complex","","","- C18 H20 O4 S2 Sn -","- C18 H20 O4 S2 Sn -","- C72 H80 O16 S8 Sn4 -","4","0.5","FG1299","Parvez, Masood; Ali, Saqib; Masood, Tariq M.; Mazhar, Muhammad; Danish, Muhammad","Diethylbis[3-(2-thienyl)-2-propenoato-<i>O</i>,<i>O</i>']tin(IV)","Acta Crystallographica Section C","1997","53","9","1211","1213","10.1107/S0108270197005210","","","0.71069","MoKα","","0.0582","0.0334","","0.211","0.0839","","","","1.215","1.204","1.204","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006481","11.65","0.003","8.53","0.007","26.837","0.003","90","","97.6","0.01","90","","2643","2","294","","294","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H37 N O5 -","- C28 H37 N O5 -","- C112 H148 N4 O20 -","4","2","FG1301","Fu, Tai Y.; Scheffer, John R.; Trotter, James","4-[2,4,6-Tris(1-methylethyl)benzoyl]benzoic Acid (<i>S</i>)-({-})-Proline","Acta Crystallographica Section C","1997","53","9","1259","1262","10.1107/S0108270197005295","","","1.5418","CuKα","","0.089","0.053","","","","0.149","","","","","","1.66","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006482","12.9397","0.0012","4.9019","0.0004","23.18","0.0003","90","","90.703","0.009","90","","1470.18","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,6,7-Trimethyl-3-(2'-pyridine)-3,4-dihydro-4-oxoquinazoline-8-carboxylic Acid","","- C17 H15 N3 O3 -","- C17 H15 N3 O3 -","- C68 H60 N12 O12 -","4","1","FG1307","Kubicki, Maciej; Szkaradzińska, Maria B.; Codding, Penelope W.","3,4-Dihydro-2,6,7-trimethyl-4-oxo-3-(2-pyridyl)quinazoline-8-carboxylic Acid","Acta Crystallographica Section C","1997","53","9","1291","1293","10.1107/S0108270197005659","","","1.54178","CuKα","","0.0934","0.0534","","0.1949","0.1214","","","","1.307","0.993","0.993","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006483","9.751","0.001","12.133","0.0002","13.9205","0.0009","90","","105.654","0.008","90","","1585.8","0.2","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 O2 -","- C18 H26 O2 -","- C72 H104 O8 -","4","1","FG1311","Caracelli, I.; Iulek, J.; Neves, Ademir; Vencato, Ivo; Silva Jr, F.; Brocksom, Timothy John; Zukerman-Schpector, J.","Intermediates in the Synthesis of Cembrane Diterpenes. I","Acta Crystallographica Section C","1997","53","9","1282","1284","10.1107/S0108270197005325","","","0.71073","MoKα","","0.1147","0.0574","","0.1824","0.1378","","","","1.1","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006484","12.038","0.002","5.506","0.001","13.087","0.001","90","","94.576","0.009","90","","864.7","0.2","208","","208","","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-trans-2-phenylcyclopropanecarboxylic acid","(+)-trans-(1S,2S)-2-phenylcyclopropanecarboxylic acid","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","2","FG1312","Gerkin, Roger E.","Hydrogen Bonding and Ring Asymmetry in a Substituted Cyclopropane: (+)-<i>trans</i>-(1<i>S</i>,2<i>S</i>)-2-Phenylcyclopropanecarboxylic Acid at 208K","Acta Crystallographica Section C","1997","53","9","1280","1282","10.1107/S0108270197005660","","","0.71073","MoKα","","","0.058","","","","0.068","","","","","","1.6","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006485","10.5549","0.001","14.3979","0.0014","18.135","0.0002","96.474","0.008","90.053","0.006","96.379","0.008","2721.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H54 Cl13 O4 P3 -","- C45 H54 Cl13 O4 P3 -","- C90 H108 Cl26 O8 P6 -","2","1","FG1315","Thönnessen, Holger; Jones, Peter G.; Schmutzler, Reinhard; Gloede, Jörg","An Unusual Calix[4]arene Derivative Containing Phosphorus with Coordination Numbers 4, 5 and 6","Acta Crystallographica Section C","1997","53","9","1310","1312","10.1107/S0108270197004721","","","0.71073","MoKα","","0.0835","0.0575","","0.1818","0.1587","","","","1.049","1.172","1.172","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006486","9.218","0.002","16.055","0.004","13.804","0.002","90","","94.89","0.02","90","","2035.5","0.7","294","","294","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 S -","- C22 H28 S -","- C88 H112 S4 -","4","1","FG1319","Fu, Tai Y.; Scheffer, John R.; Trotter, James","Phenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione and 4-Methoxyphenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione","Acta Crystallographica Section C","1997","53","9","1257","1259","10.1107/S0108270197005246","","","0.7107","MoKα","","","0.0513","","","","0.1553","","","","","","1.31","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006487","11.336","0.001","13.136","0.002","14.24","0.002","90","","96.667","0.009","90","","2106.1","0.5","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 O S -","- C23 H30 O S -","- C92 H120 O4 S4 -","4","1","FG1319","Fu, Tai Y.; Scheffer, John R.; Trotter, James","Phenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione and 4-Methoxyphenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione","Acta Crystallographica Section C","1997","53","9","1257","1259","10.1107/S0108270197005246","","","1.5418","CuKα","","","0.0472","","","","0.1445","","","","","","2.03","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006488","7.8306","0.0008","10.0242","0.0008","9.5404","0.0012","90","","92.282","0.01","90","","748.28","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-chlorodimesylamine","","- C2 H6 Cl N O4 S2 -","- C2 H6 Cl N O4 S2 -","- C8 H24 Cl4 N4 O16 S8 -","4","1","FG1321","Moers, Oliver; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. LXXXV. <i>N</i>-Chlorodimesylamine","Acta Crystallographica Section C","1997","53","9","1305","1307","10.1107/S0108270197005301","","","0.71073","MoKα","","0.0222","0.0207","","0.0555","0.0549","","","","1.07","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006489","16.84","0.004","10.859","0.003","10.039","0.002","90","","90","","90","","1835.8","0.8","178","2","178","2","","","","","","","","5","C m c 21","C 2c -2","36","","(Acetonitrilo)(η^5^-1,3-di-t-butylcyclopentadienyl)trichloromolybdenum(IV)","","- C15 H24 Cl3 Mo N -","- C15 H24 Cl3 Mo N -","- C60 H96 Cl12 Mo4 N4 -","4","0.5","FG1323","Scheer, Manfred; Jones, Peter G.","(Acetonitrile-<i>N</i>)trichloro(η^5^-1,3-di-<i>tert</i>-butylcyclopentadienyl)molybdenum(IV)","Acta Crystallographica Section C","1997","53","9","1198","1199","10.1107/S0108270197005313","","","0.71073","MoKα","","0.0176","0.0173","","0.0435","0.0433","","","","1.123","1.127","1.127","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006490","6.0389","0.0004","32.772","0.003","7.3695","0.0008","90","","97.75","0.008","90","","1445.2","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Silver(I) Di(4-fluorobenzenesulfonyl)amide Monohydrate","","- C12 H10 Ag F2 N O5 S2 -","- C12 H10 Ag F2 N O5 S2 -","- C48 H40 Ag4 F8 N4 O20 S8 -","4","1","FG1325","Weitze, Achim; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. LXXXVI. Silver(I) Bis(4-fluorobenzenesulfonyl)amide Monohydrate","Acta Crystallographica Section C","1997","53","9","1195","1197","10.1107/S0108270197005672","","","0.71073","MoKα","","0.0382","0.0274","","0.0661","0.0628","","","","1.045","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006491","9.941","0.002","12.084","0.003","14.001","0.003","90","","110.14","0.02","90","","1579.1","0.6","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis[1-(β-naphthyliminomethyl)-2-naphtholato-N,O]nickel(II)","","- C42 H28 N2 Ni O2 -","- C42 H28 N2 Ni O2 -","- C84 H56 N4 Ni2 O4 -","2","0.5","FG1334","Gavranić, Marijana; Kaitner, Branko; Meštrović, Ernest","Bis[<i>N</i>-(β-naphthyl)-2-oxy-1-naphthaldiminato]nickel(II)","Acta Crystallographica Section C","1997","53","9","1232","1234","10.1107/S0108270197007038","","","0.71069","MolybdenumKα","","","0.034","","","0.054","","","","","1.05","1.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006492","11.697","0.006","12.788","0.007","14.138","0.007","99.72","0.04","100.14","0.04","109.04","0.03","1908.8","1.8","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H41 N5 O7 -","- C45 H41 N5 O7 -","- C90 H82 N10 O14 -","2","1","FG1339","Johannes, Hans-Hermann; Grahn, Walter; Dix, Ina; Jones, Peter G.","1,3,3-Trimethyl-5-styryl-2-[(1,3,3-trimethyl-5-styryl-2-indolinylidene)methyl]-3<i>H</i>-indolinium Picrate: an Extended Trichromophoric System","Acta Crystallographica Section C","1997","53","9","1363","1366","10.1107/S0108270197007609","","","0.71073","MoKα","","0.158","0.071","","0.145","0.11","","","","1.041","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006493","7.946","0.002","7.19","0.003","13.593","0.002","90","","94.58","0.01","90","","774.1","0.4","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 N2 O2 -","- C9 H6 N2 O2 -","- C36 H24 N8 O8 -","4","1","FR1032","Okabe, Nobuo; Akita, Mayumi","5-Hydroxyimino-8-quinolone","Acta Crystallographica Section C","1997","53","9","1324","1325","10.1107/S0108270197006227","","","0.71069","MoKα","","","0.063","","","0.058","","","","","1.46","1.46","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2006494","7.6381","0.0002","8.0844","0.0001","12.5955","0.0004","99.042","0.001","93.042","0.002","92.225","0.002","766.14","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cl N3 O4 -","- C14 H18 Cl N3 O4 -","- C28 H36 Cl2 N6 O8 -","2","1","FR1045","Abboud, Khalil A.; Ortiz, Carlos G.; Palenik, Ruth C.; Palenik, Gus J.","2-[1-(Salicyloylhydrazono)ethyl]pyridinium Chloride Dihydrate at 173K","Acta Crystallographica Section C","1997","53","9","1322","1323","10.1107/S0108270197004745","","","0.71073","MoKα","","0.043","0.036","","0.108","0.09","","","","1.094","1.092","1.092","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006495","19.824","0.002","5.373","0.002","21.638","0.001","90","","113.308","0.006","90","","2116.7","0.8","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","phenanthrene-9-carboxylic acid","phenanthrene-9-carboxylic acid","","- C15 H10 O2 -","- C15 H10 O2 -","- C120 H80 O16 -","8","1","FR1046","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Phenanthrene-9-carboxylic Acid","Acta Crystallographica Section C","1997","53","9","1265","1267","10.1107/S0108270197005787","","","0.71073","MoKα","","","0.044","","","","0.048","","","","","","1.64","","","","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",""
"2006497","6.686","0.003","11.304","0.009","6.399","0.002","95.46","0.04","113.56","0.03","83.54","0.05","439.8","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","","4,4-dimethyl-5-iodo-2-oxazineone","","- C6 H10 I N O2 -","- C6 H9 I N O2 -","- C12 H18 I2 N2 O4 -","2","1","FR1050","Mague, Joel T.; Ensley, Harry E.; Ling, Jing","Intermediates for the Convenient Synthesis of Bicyclic Aziridinocarbamates","Acta Crystallographica Section C","1997","53","9","1347","1350","10.1107/S0108270197006070","","","0.71073","MoKα","","0.08","0.064","","","0.082","","","","","2.216","2.216","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2006498","6.165","0.0009","6.762","0.001","11.761","0.001","102.81","0.01","90.09","0.01","117.05","0.01","422.82","0.11","293","","293","","","","","","","","","5","P -1","-P 1","2","","1-methyl-1-(1-iodoethyl)-2-oxazolidinone","","- C6 H10 I N O2 -","- C6 H10 I N O2 -","- C12 H20 I2 N2 O4 -","2","1","FR1050","Mague, Joel T.; Ensley, Harry E.; Ling, Jing","Intermediates for the Convenient Synthesis of Bicyclic Aziridinocarbamates","Acta Crystallographica Section C","1997","53","9","1347","1350","10.1107/S0108270197006070","","","0.71073","MoKα","","0.032","0.025","","","0.037","","","","","1.39","1.39","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2006499","42.768","0.009","11.338","0.002","10.123","0.001","90","","102.16","0.01","90","","4798.5","1.4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-iodo-6-(n-pentyl)-2-oxazineone","","- C9 H16 I N O2 -","- C9 H16 I N O2 -","- C144 H256 I16 N16 O32 -","16","2","FR1050","Mague, Joel T.; Ensley, Harry E.; Ling, Jing","Intermediates for the Convenient Synthesis of Bicyclic Aziridinocarbamates","Acta Crystallographica Section C","1997","53","9","1347","1350","10.1107/S0108270197006070","","","0.71073","MoKα","","0.086","0.039","","","0.05","","","","","1.86","1.86","","","","","has coordinates,has Fobs","208362","2020-10-21","18:00:00",""
"2006500","9.07","0.001","9.734","0.001","9.779","0.002","117.86","0.01","112.16","0.01","92.36","0.01","681.5","0.2","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(3-picoline)palladium(II) chloride trihydrate","","- C24 H32 Cl2 N4 O2 Pd -","- C24 H36 Cl2 N4 O2 Pd -","- C24 H36 Cl2 N4 O2 Pd -","1","0.5","JZ1170","Chen, Wei; Liu, Cai-ming; Xiong, Ren-gen; You, Xiao-zeng","4:1 Lewis Base Adducts of Palladium Dichloride: [Pd(3-picoline)~4~]Cl~2~.2H~2~O","Acta Crystallographica Section C","1997","53","9","1218","1220","10.1107/S0108270197002576","","","0.71073","MoKα","","0.032","0.032","","0.083","0.083","","","","1.109","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006501","13.869","0.001","12.606","0.002","19.699","0.005","90","","96.94","0.01","90","","3418.8","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Carbonylchloro[2-(diphenylphosphanyl)thiophenolato-P,S]hydridotriphenyl phosphaneiridium(III)-Dichloromethane-(4:1)-Solvate","","- C37.25 H30.5 Cl1.5 Ir O P2 S -","- C37.25 H30.5 Cl1.5 Ir O P2 S -","- C149 H122 Cl6 Ir4 O4 P8 S4 -","4","1","JZ1186","Dahlenburg, Lutz","Carbonylchloro[2-(diphenylphosphino)thiophenolato-<i>P</i>,<i>S</i>]hydrido(triphenylphosphine-<i>P</i>)iridium(III)‒Dichloromethane Solvate (4/1)","Acta Crystallographica Section C","1997","53","9","1190","1192","10.1107/S0108270197005167","","","0.7107","MoKα","","0.0846","0.0555","","0.1672","0.1462","","","","1.068","1.123","1.123","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006502","14.4318","0.0014","10.2646","0.001","17.997","0.002","90","","103.689","0.001","90","","2590.3","0.5","123","2","123","2","","","","","","","","6","P 1 n 1","P -2yac","7","","(±)-tert-Butyl 3-Hydroxy-4-methyl-2-[(toluolsulfonyl)amino]butanoate","","- C23 H31 Cl2 N O5 S -","- C23 H31 Cl2 N O5 S -","- C92 H124 Cl8 N4 O20 S4 -","4","2","JZ1189","Görbitz, Carl Henrik; Kazmaier, Uli; Grandel, Roland","(±)-<i>tert</i>-Butyl 3-Hydroxy-4-phenyl-2-(<i>p</i>-toluenesulfonylamino)pentanoate‒Dichloromethane (1/1): a Pseudo Centre of Symmetry in an Enantiomeric Pair","Acta Crystallographica Section C","1997","53","9","1302","1305","10.1107/S0108270197006033","","","0.71073","MoKα","","0.0466","0.0412","","0.0982","0.0937","","","","1.086","1.08","1.08","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2006503","7.875","0.003","24.756","0.01","14.582","0.006","90","","104.26","0.03","90","","2755.2","1.9","126","2","126","2","","","","","","","","3","P 1 21 1","P 2yb","4","compound (1)","13^1^-Deoxo-17-depropionic acid-17-propionyl-phytochlorin","","- C33 H40 N4 -","- C33 H40 N4 -","- C132 H160 N16 -","4","2","JZ1193","Senge, Mathias O.; Smith, Kevin M.","Structure and Conformation of Photosynthetic Pigments and Related Compounds. 10. Comparison of a Phytochlorin and Phytoporphyrin Derived from Chlorophyll <i>a</i>","Acta Crystallographica Section C","1997","53","9","1314","1318","10.1107/S0108270197003648","","","0.71073","MoKα","","0.0824","0.0576","","0.1397","0.1257","","","","1.022","1.069","1.069","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006504","9.703","0.003","11.906","0.002","13.685","0.003","99.11","0.02","107.84","0.02","106.67","0.02","1388.1","0.7","126","2","126","2","","","","","","","","4","P -1","-P 1","2","compound (2)","Phytoporphyrin methyl ester","","- C34 H36 N4 O3 -","- C34 H36 N4 O3 -","- C68 H72 N8 O6 -","2","1","JZ1193","Senge, Mathias O.; Smith, Kevin M.","Structure and Conformation of Photosynthetic Pigments and Related Compounds. 10. Comparison of a Phytochlorin and Phytoporphyrin Derived from Chlorophyll <i>a</i>","Acta Crystallographica Section C","1997","53","9","1314","1318","10.1107/S0108270197003648","","","0.71073","MoKα","","0.0909","0.0654","","0.1985","0.1742","","","","1.037","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006505","12.724","0.0004","6.703","0.0005","16.8484","0.0013","90","","90","","90","","1436.98","0.16","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Monomeric (Pyrazine)(N-salicylideneaminoisobutyrato)copper(II)","","- C15 H15 Cu N3 O3 -","- C15 H15 Cu N3 O3 -","- C60 H60 Cu4 N12 O12 -","4","0.5","JZ1198","Warda, Salam A.","Monomeric (Pyrazine-<i>N</i>)(<i>N</i>-salicylidene-α-amino-2-methylpropanoato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1997","53","9","1186","1188","10.1107/S010827019700543X","","","0.71073","MoKα","","0.0318","0.0263","","0.0814","0.0779","","","","1.087","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006506","16.2226","0.0013","17.8756","0.0015","19.0452","0.0018","90","","90","","90","","5522.9","0.8","150","2","150","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","1,2,4,5-Tetrakis(trimethylsilylmethyl)benzene","","- C22 H46 Si4 -","- C22 H46 Si4 -","- C176 H368 Si32 -","8","0.25","JZ1201","Nagel, Norbert; Ansari, Manssur; Bock, Hans","1,2,4,5-Tetrakis(trimethylsilylmethyl)benzene at 150K","Acta Crystallographica Section C","1997","53","9","1329","1331","10.1107/S0108270197005179","","","0.71073","MoKα","","0.0472","0.0356","","0.0927","0.0862","","","","1.089","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006507","9.534","0.002","10.486","0.002","10.486","0.002","109.05","0.01","92","0.01","110.64","0.01","913.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-bicyclo[2.2.1]hept-5-ene-2-exo,3-exo-dicarboxylato- κ^2^O,O':κ^2^O'',O''')bis[aqua(2,2'-bipyridine-N,N')manganese(II)] Monohydrate","","- C38 H38 Mn2 N4 O11 -","- C38 H38 Mn2 N4 O11 -","- C38 H38 Mn2 N4 O11 -","1","0.5","JZ1202","Baumeister, Ute; Hartung, Helmut","Bis(μ-bicyclo[2.2.1]hept-5-ene-2-<i>exo</i>,3-<i>exo</i>-dicarboxylato-κ^2^<i>O</i>,<i>O</i>':κ^2^<i>O</i>'',<i>O</i>''')bis[aqua(2,2'-bipyridine-<i>N</i>,<i>N</i>')manganese(II)] Monohydrate","Acta Crystallographica Section C","1997","53","9","1246","1248","10.1107/S0108270197004757","","","0.71073","MoKα","","0.0572","0.0316","","0.084","0.0768","","","","1.006","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006508","10.0033","0.0001","10.0382","0.0001","14.3045","0.0001","90.619","0.001","99.805","0.001","113.053","0.001","1297.61","0.02","140","","140","","","","","","","","","2","P -1","-P 1","2","","6,6-Diphenylfulvene","","- C18 H14 -","- C18 H14 -","- C72 H56 -","4","2","JZ1206","Bolte, Michael; Amon, Michael","6,6-Diphenylfulvene at 140K","Acta Crystallographica Section C","1997","53","9","1354","1356","10.1107/S0108270197005854","","","0.71073","MoKα","","0.0628","0.0417","","0.1017","0.0909","","","","1.03","1.062","1.062","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006509","25.524","0.008","15.174","0.005","10.978","0.003","90","","109.07","0.03","90","","4018","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetracarbonylbis[(2-methoxyphenyl)diphenylphosphane]tungsten-dichloromethane (4/1)","","- C42.25 H34.5 Cl0.5 O6 P2 W -","- C42.25 H34.5 Cl0.5 O6 P2 W -","- C169 H138 Cl2 O24 P8 W4 -","4","0.5","KA1228","Dahlenburg, Lutz; Herbst, Konrad; Knoch, Falk","Tetracarbonylbis[(2-methoxyphenyl)diphenylphosphine-<i>P</i>]tungsten Dichloromethane 0.25-Solvate","Acta Crystallographica Section C","1997","53","9","1188","1190","10.1107/S0108270197006136","","","0.71073","MoKα","","0.0454","0.0402","","0.1478","0.1453","","","","1.165","1.232","1.232","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006510","14.53","0.006","13.29","0.006","14.231","0.006","90","","110.31","0.03","90","","2577","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Tricyanomethanido)bis(2,2'-bipyridine)copper(II) Tricyanomethanide","","- C28 H16 Cu N10 -","- C28 H16 Cu N10 -","- C112 H64 Cu4 N40 -","4","1","KA1238","Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Jäger, Lothar","Bis(2,2'-bipyridine-<i>N</i>,<i>N</i>')(tricyanomethanido-<i>N</i>)copper(II) Tricyanomethanide","Acta Crystallographica Section C","1997","53","9","1215","1218","10.1107/S0108270197006161","","","0.71073","MoKα","","0.0936","0.036","","0.1153","0.0882","","","","0.662","0.744","0.744","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006511","17.427","0.002","10.021","0.005","28.639","0.003","90","","106.71","0.01","90","","4790","3","293","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H46 Cu2 N4 P2 S6 W -","- C44 H46 Cu2 N4 P2 S6 W -","- C176 H184 Cu8 N16 P8 S24 W4 -","4","0.5","KH1106","Wang, Quanming; Wu, Xintao; Huang, Qun; Sheng, Tianlu","A Linear Cluster with Mixed Ligands, [WCu~2~S~4~(tpt)~2~(PPh~3~)~2~]","Acta Crystallographica Section C","1997","53","9","1220","1221","10.1107/S0108270196014710","","","0.71069","MoKα","","","0.0368","","","0.0374","","","","","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006512","18.214","0.005","7.416","0.002","12.037","0.003","90","","108.49","0.02","90","","1542","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Phenyl-5-(2-naphthyl)-1,2,4-trioxolane-3-carbonitrile","","- C19 H13 N O3 -","- C19 H13 N O3 -","- C76 H52 N4 O12 -","4","1","KH1149","Kunsoo Lee; Taesung Huh; Hoseop Yun","The Stereochemical Assignment of the Ozonide 5-(2-Naphthyl)-3-phenyl-1,2,4-trioxolane-3-carbonitrile","Acta Crystallographica Section C","1997","53","9","1325","1327","10.1107/S010827019700646X","","","0.7107","MoKα","","0.0763","0.0719","","0.2119","0.2069","","","","1.053","1.085","1.085","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006513","8.6351","0.0008","15.6177","0.001","8.8929","0.0015","90","","115.486","0.008","90","","1082.6","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N4 O8 -","- C18 H26 N4 O8 -","- C36 H52 N8 O16 -","2","0.5","LN1002","Lo, Jem-Mau; Yao, Hsueh-Hua; Lu, Tian-Huey","<i>N</i>,<i>N</i>'-Bis(2-hydroxybenzyl)-1,4-butanediammonium Dinitrate","Acta Crystallographica Section C","1997","53","9","1327","1329","10.1107/S0108270197005878","","","0.7107","MolybdenumKα","","0.043","0.042","","0.049","0.048","","","","","1.21","1.21","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006514","6.231","0.001","9.447","0.001","9.394","0.001","90","","92.32","0.01","90","","552.52","0.12","205","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(trichlorosilyl)ethane","1,1,1,4,4,4-Hexachloro-1,4-disilabutane","","- C2 H4 Cl6 Si2 -","- C2 H4 Cl6 Si2 -","- C4 H8 Cl12 Si4 -","2","0.5","LN1006","Mitzel, Norbert W.; Riede, Jürgen; Schmidbaur, Hubert","1,1,1,4,4,4-Hexachloro-1,4-disilabutane","Acta Crystallographica Section C","1997","53","9","1335","1337","10.1107/S0108270197005866","","","0.71069","MoKα","","0.0232","0.019","","0.0619","0.05","","","","1.12","1.145","1.145","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006515","7.802","0.002","13.221","0.003","7.142","0.001","90","","91.24","0.03","90","","736.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dimethylammonium trichloropalladate","","- C2 H8 Cl3 N Pd -","- C2 H8 Cl3 N Pd -","- C8 H32 Cl12 N4 Pd4 -","4","0.5","MU1264","Eric S. Raper; Maria Kubiak; Tadeusz Głowiak","Dimethylammonium Trichloropalladate","Acta Crystallographica Section C","1997","53","9","1201","1204","10.1107/S010827019700379X","","","0.71069","MoKα","","0.0336","0.0267","","0.0673","0.0652","","","","1.192","1.257","1.257","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006516","5.751","0.002","7.718","0.003","12.469","0.004","90","","102.76","0.03","90","","539.8","0.3","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","calcium D-3-phoshoglycerate tetrahydrate","","- C3 H13 Ca O11 P -","- C3 H13 Ca O11 P -","- C6 H26 Ca2 O22 P2 -","2","1","MU1266","Jerzykiewicz, Lucjan B.; Lis, T.","Calcium <small>D</small>-3-Phosphoglycerate Tetrahydrate at 85K","Acta Crystallographica Section C","1997","53","9","1249","1251","10.1107/S0108270197005143","","","0.71069","MoKα","","0.0285","0.0227","","0.0567","0.055","","","","1.076","1.078","1.078","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006517","13.339","0.004","5.48","0.002","18.208","0.005","90","","93.73","0.02","90","","1328.1","0.7","292","","292","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(2-Pyridyl)urea","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C48 H56 N24 O8 -","8","1","MU1272","Velichka Velikova; Olyana Angelova; Krassimir Kossev","<i>N</i>-(2-Pyridyl)urea","Acta Crystallographica Section C","1997","53","9","1273","1275","10.1107/S0108270197004782","","","0.71073","MoKα","","0.065","0.039","","0.075","0.053","","","","1.449","1.028","1.028","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2006518","5.215","0.001","9.167","0.003","10.597","0.004","74.61","0.03","84.65","0.02","86.42","0.05","485.9","0.3","292","","292","","","","","","","","","5","P -1","-P 1","2","","N-(2-pyridinium)urea perrhenate","","- C6 H8 N3 O5 Re -","- C6 H8 N3 O5 Re -","- C12 H16 N6 O10 Re2 -","2","1","MU1281","Velichka Velikova; Rosica Petrova; Olyana Angelova","<i>N</i>-(2-Pyridinium)urea Perrhenate","Acta Crystallographica Section C","1997","53","9","1230","1232","10.1107/S0108270197004794","","","0.71073","MoKα","","0.051","0.045","","0.115","0.081","","","","1.658","1.18","1.18","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2006519","6.422","0.001","10.129","0.003","10.176","0.001","85.6","0.01","72.95","0.01","75.97","0.02","614","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Chloro(N-pyrrolidinecarbodithioato-S,S')dimethyltin(IV)","","- C7 H14 Cl N S2 Sn -","- C7 H14 Cl N S2 Sn -","- C14 H28 Cl2 N2 S4 Sn2 -","2","1","MU1288","Othman, Abdul Hamid; Fun, Hoong-Kun; M. Yamin, Bohari","Chlorodimethyl(<i>N</i>-pyrrolidinecarbodithioato-<i>S</i>,<i>S</i>')tin(IV)","Acta Crystallographica Section C","1997","53","9","1228","1230","10.1107/S0108270197004861","","","0.71073","MoKα","","0.0328","0.0317","","0.085","0.0842","","","","1.152","1.172","1.172","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006520","8.386","0.002","8.149","0.002","17.267","0.004","90","","99.04","0.04","90","","1165.3","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","MU1289","Kožíšek, Jozef; Ingrid Svoboda; Štefan Marchalín; Bernard Decroix","<i>cis</i>-6,10b,11,12-Tetrahydro-12-hydroxypyrrolo[1',2':2,3]pyridazino[6,1-<i>a</i>]isoindol-6-one","Acta Crystallographica Section C","1997","53","9","1362","1363","10.1107/S0108270197004800","","","0.71069","MoKα","","0.0364","0.0325","","0.0898","0.0843","","","","1.045","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006521","9.465","0.002","10.505","0.002","15.797","0.003","70.63","0.03","83.13","0.03","69.87","0.03","1391.2","0.6","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 N4 O6 -","- C26 H42 N4 O6 -","- C52 H84 N8 O12 -","2","1","MU1293","Lawrence C. Nathan; Michael E. Silver","A Hydrated Schiff Base Derivative of Bis(acetylacetone)ethylenediimine with 2-Pyridinylethyl Side Chains","Acta Crystallographica Section C","1997","53","9","1351","1354","10.1107/S0108270197005155","","","0.71073","MoKα","","0.1658","0.0666","","0.2253","0.1765","","","","0.984","1.273","1.273","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2006522","19.923","0.005","41.216","0.009","10.068","0.003","90","","90","","90","","8267","4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","catena-poly[hexakis(acetonitrile)aluminium tri{[tetrachlorotellurate(IV)]μ-chloro}]-acetonitrile solvate,","","- C14 H21 Al Cl15 N7 Te3 -","- C14 H21.5 Al Cl15 N7 Te3 -","- C112 H172 Al8 Cl120 N56 Te24 -","8","1","MU1301","Favier, F.; Pascal, J. L.; Belin, C.; Tillard-Charbonnel, M.","A New Pentachlorotellurate(IV): <i>catena</i>-Poly[hexakis(acetonitrile)aluminium tris[tetrachlorotellurate(IV)-μ-chloro] acetonitrile]","Acta Crystallographica Section C","1997","53","9","1234","1236","10.1107/S0108270197004824","","","0.7107","MoKα","","0.0379","0.0375","","0.0812","0.0788","","","","1.013","1.013","1.013","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006523","20.239","0.005","10.911","0.002","15.197","0.006","90","","126.58","0.011","90","","2694.9","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Chlorophenyl-2,6-dimethyl phenylsulphone","","- C14 H13 Cl O2 S -","- C14 H13 Cl O2 S -","- C112 H104 Cl8 O16 S8 -","8","1","MU1313","Jeyaraman, Jeyakanthan; Velmurugan, D.","4-Chlorophenyl 2,6-Dimethylphenyl Sulfone","Acta Crystallographica Section C","1997","53","9","1344","1345","10.1107/S0108270197005714","","","0.71069","MoKα","","0.0712","0.0513","","0.1532","0.1371","","","","1.056","1.118","1.118","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006524","8.389","0.001","8.58","0.001","8.934","0.001","90","","93.689","0.002","90","","641.72","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H12 N4 O4 -","- C13 H12 N4 O4 -","- C26 H24 N8 O8 -","2","1","NA1281","Cole, Jacqueline M.; Howard, Judith A. K.; MacBride, J. A. Hugh","3,5-Dinitro-2-{[(<i>R</i>)-({-})-1-phenylethyl]amino}pyridine","Acta Crystallographica Section C","1997","53","9","1331","1334","10.1107/S0108270197005507","","","0.71073","MoKα","","0.0549","0.0449","","0.1276","0.0971","","","","1.169","1.115","1.115","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006525","38.846","0.002","7.434","0.001","7.367","0.001","90","","90","","90","","2127.5","0.4","293","","293","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","bis-(β-phenylethylammonium) tetrachlorocadmate","","- C16 H24 Cd Cl4 N2 -","- C16 H24 Cd Cl4 N2 -","- C64 H96 Cd4 Cl16 N8 -","4","0.5","NA1289","Monika Groh; Spengler, Roland; Burzlaff, Hans; Zouari, Fatma; Ben Salah, Abdelhamid","(C~6~H~5~CH~2~CH~2~NH~3~)~2~[CdCl~4~]","Acta Crystallographica Section C","1997","53","9","1199","1201","10.1107/S0108270197005726","","","0.70926","MoKα~1~","","","","","","0.039","","","","","0.95","0.95","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006526","11.507","0.002","7.399","0.001","15.802","0.002","90","","106.83","0.01","90","","1287.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2,4-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C15 H10 F2 N2 S -","- C15 H10 F2 N2 S -","- C60 H40 F8 N8 S4 -","4","1","NA1293","Bruno, Giuseppe; Chimirri, Alba; Monforte, Anna Maria; Nicoló, Francesco; Scopelliti, Rosario","1-Aryl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole Derivatives","Acta Crystallographica Section C","1997","53","9","1337","1341","10.1107/S0108270197004976","","","0.71073","MoKα","","0.0402","0.0332","","0.0897","0.0878","","","","1.077","1.16","1.16","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006527","7.74","0.002","13.03","0.005","14.694","0.005","83.3","0.03","79.2","0.03","76.72","0.03","1412.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(2,6-dichlorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C15 H10 Cl2 N2 S -","- C15 H10 Cl2 N2 S -","- C60 H40 Cl8 N8 S4 -","4","2","NA1293","Bruno, Giuseppe; Chimirri, Alba; Monforte, Anna Maria; Nicoló, Francesco; Scopelliti, Rosario","1-Aryl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole Derivatives","Acta Crystallographica Section C","1997","53","9","1337","1341","10.1107/S0108270197004976","","","0.71073","MoKα","","0.0521","0.0381","","0.111","0.1062","","","","1.074","1.216","1.216","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006528","22.093","0.005","7.878","0.001","31.473","0.005","90","","100.28","0.03","90","","5389.9","1.7","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","1-(2-chloro-6-fluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C15 H10 Cl F N2 S -","- C15 H10 Cl F N2 S -","- C240 H160 Cl16 F16 N32 S16 -","16","2","NA1293","Bruno, Giuseppe; Chimirri, Alba; Monforte, Anna Maria; Nicoló, Francesco; Scopelliti, Rosario","1-Aryl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole Derivatives","Acta Crystallographica Section C","1997","53","9","1337","1341","10.1107/S0108270197004976","","","0.71073","MoKα","","0.1274","0.0769","","0.2136","0.1892","","","","0.905","1.149","1.149","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006529","7.643","0.003","6.509","0.002","24.14","0.001","90","","97.76","0.03","90","","1189.9","0.6","292","","292","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-5-nitro-pyridine : 3-nitro-2-pyridone (1 : 1)","","- C10 H9 N5 O5 -","- C10 H9 N5 O5 -","- C40 H36 N20 O20 -","4","1","NA1296","Velikova, Velichka; Kossev, Krasimir; Angelova, Olyana","1:1 Molecular Complex of 2-Amino-5-nitropyridine and 3-Nitro-2-pyridone","Acta Crystallographica Section C","1997","53","9","1270","1273","10.1107/S0108270197005799","","","0.71073","MoKα","","0.0973","0.0424","","0.138","","0.1043","","","1.023","","","1.132","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006530","7.3706","0.0003","14.3273","0.0007","15.9318","0.0008","90","","90","","90","","1682.41","0.14","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)(4aS,6R,8aS)-4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-6H-benzofuro [3a,3,2-ef] [2]benzazepin-6-ol hydrobromide","","- C17 H22 Br N O3 -","- C17 H22 Br N O3 -","- C68 H88 Br4 N4 O12 -","4","1","NA1303","Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter","({-})-Galanthaminium Bromide","Acta Crystallographica Section C","1997","53","9","1284","1286","10.1107/S0108270197006240","","","1.54184","CuKα","","0.0299","0.0295","","0.0811","","0.0811","","","1.044","","","1.044","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006531","13.177","0.002","18.645","0.003","21.8","0.003","90","","99.82","0.01","90","","5277.5","1.4","23","","296","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Dipotassium Trieuropium Trihydrogen Hexatitanooctadecatungstodigermanate","","- Eu3 Ge2 H77 K2 O114 Ti6 W18 -","- Eu3 Ge2 K2 O114 Ti6 W18 -","- Eu6 Ge4 K4 O228 Ti12 W36 -","2","0.5","OA1005","Sugeta, Moriyasu; Yamase, Toshihiro","A Tricapped Trigonal Prismatic EuO(H~2~O)~8~ Site in Trihydrogen Tris(octaaquaeuropium) Dipotassium Digermanohexatitanooctadecatungstate(14‒) Tridecahydrate","Acta Crystallographica Section C","1997","53","9","1166","1170","10.1107/S0108270197002941","","","0.7107","MoKα","","","0.066","","","0.057","","","","","2.3","2.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006532","6.979","0.001","15.649","0.002","12.515","0.002","90","","90","","90","","1366.8","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","carbonylchloro(η^5^-cyclopentadienyl)(1-ethoxybutylidene)ruthenium","","- C12 H17 Cl O2 Ru -","- C12 H17 Cl O2 Ru -","- C48 H68 Cl4 O8 Ru4 -","4","1","QB0009","Abboud, Khalil A.; Yin, Jianguo; Jones, William, M.","Carbonylchloro(η^5^-cyclopentadienyl)(1-ethoxybutylidene)ruthenium","Acta Crystallographica Section C","1997","53","9","IUC9700011","","10.1107/S0108270197099459","","","0.71073","MoKα","","0.0365","0.0262","","0.0545","0.0523","","","","1.012","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006533","11.184","0.002","6.433","0.001","13.156","0.004","90","","113.72","0.01","90","","866.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Amino-5-formyl-1,3-dimethyl-2-thiouracil","","- C7 H9 N3 O2 S -","- C7 H9 N3 O2 S -","- C28 H36 N12 O8 S4 -","4","1","QB0011","Pomés Hernández, Ramón; Dago Morales, Angel; Mascarenhas, Yvonne; Moreno Carretero, Miguel; Jimenez Pulido, Sonia; Hueso Ureña, Francisco","6-Amino-5-formyl-1,3-dimethyl-2-thiouracil","Acta Crystallographica Section C","1997","53","9","IUC9700012","","10.1107/S0108270197099447","","","0.71069","MoKα","","0.1098","0.0494","","0.1349","0.1025","","","","1.052","1.071","1.071","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006534","8.4068","0.0004","11.4513","0.0005","14.9166","0.0006","76.375","0.003","81.461","0.003","71.342","0.003","1318.07","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Bis(barium disaccharinate triglyme)","","","- C44 H52 Ba2 N4 O20 S4 -","- C44 H52 Ba2 N4 O20 S4 -","- C44 H52 Ba2 N4 O20 S4 -","1","0.5","SK1065","Näther, Christian; Hauck, Tim; Bock, Hans","Bis(barium disaccharinate triglyme)","Acta Crystallographica Section C","1997","53","9","1244","1246","10.1107/S0108270197003351","","","0.71073","MoKα","","0.0362","0.0301","","0.0745","0.0713","","","","1.061","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006535","6.527","0.001","17.257","0.003","13.99","0.003","90","","93.58","0.03","90","","1572.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Benzoxazolyl)-3-(5-diethylamino-2-furyl)propenenitrile","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","SK1099","Ján Lokaj; Viktor Kettmann; Jarmila Štetinová; Rudolf Kada; Viktor Vrábel","2-(1,3-Benzoxazol-2-yl)-3-(5-diethylamino-2-furyl)propenenitrile","Acta Crystallographica Section C","1997","53","9","1358","1359","10.1107/S0108270197005337","","","0.71073","MoKα","","0.102","0.0629","","0.2109","0.1404","","","","0.901","1.309","1.309","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006536","12.05","0.007","14.901","0.01","8.363","0.007","103.6","0.06","99.13","0.06","74.71","0.05","1400.4","1.8","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C14 H30 Cl4 F3 N4 O7 Ru S -","- C14 H30 Cl4 F3 N4 O7 Ru S -","- C28 H60 Cl8 F6 N8 O14 Ru2 S2 -","2","1","SK1100","Levason, William; Quirk, Jeffrey J.; Reid, Gillian","<i>trans</i>-[RuCl~2~(dmf)~4~]CF~3~SO~3~.CH~2~Cl~2~","Acta Crystallographica Section C","1997","53","9","1224","1226","10.1107/S0108270197005349","","","0.71073","MoKα","","0.064","0.0448","","0.0548","0.0532","","","","2.5","2.787","2.787","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006537","13.5225","0.0008","6.9078","0.0003","17.6194","0.001","90","","102.327","0.005","90","","1607.9","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5-Ethyl-2-methylpyridine-(N-salicylideneglycinato)copper(II) Polymer","","- C17 H18 Cu N2 O3 n -","- C17 H18 Cu N2 O3 -","- C68 H72 Cu4 N8 O12 -","4","1","SK1101","Warda, Salam A.","<i>catena</i>-Poly[[(5-ethyl-2-methylpyridine-<i>N</i>)copper(II)]-μ-(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'')]","Acta Crystallographica Section C","1997","53","9","1184","1186","10.1107/S0108270197005350","","","1.54178","CuKα","","0.0394","0.0367","","0.1051","0.1042","","","","1.07","1.091","1.091","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006538","8.985","0.0008","8.985","0.0008","17.1652","0.001","90","","90","","90","","1385.75","0.19","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","(11R-trans)-11-ethylthio-1,2,3,10,11,11a-hexahydro‒5H-pyrrolo[2,1-c][1,4] benzodiazepin-5-one","","- C14 H18 N2 O S -","- C14 H18 N2 O S -","- C56 H72 N8 O4 S4 -","4","1","SK1103","Kubicki, Maciej; Szkaradzińska, Maria B.; Codding, Penelope W.","(11<i>R</i>,11a<i>S</i>-<i>trans</i>)-11-Ethylthio-2,3,5,10,11,11a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]benzodiazepin-5-one","Acta Crystallographica Section C","1997","53","9","1288","1290","10.1107/S0108270197005581","","","1.54178","CuKα","","0.0558","0.0529","","0.1476","0.1443","","","","1.083","1.115","1.115","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006539","6.93","0.0002","15.5478","0.0015","16.5453","0.0013","90","","90","","90","","1782.7","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,5S,2'S,3'S)-3-(3'-hydroxy-2'-methyl-7'-octinoyl)-5-phenyl- 4-methyl-2-oxazolidinone","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","SX1016","Carballo, Rosa; Fernández-Suárez, Miryam; Muñoz, Luis; Riguera, Ricardo; Maichle-Mössmer, Cäcilia","Absolute Configuration of an Intermediate in the Asymmetric Synthesis of Natural β-Hydroxy and β-Amino Acids","Acta Crystallographica Section C","1997","53","9","1312","1314","10.1107/S0108270197005957","","","1.5418","CuKα","","0.0361","0.0348","","0.0948","0.093","","","","1.043","1.041","1.041","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006540","17.977","0.004","11.819","0.007","14.696","0.002","90","","90.775","0.015","90","","3122","2","293","","293","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C30 H30 Cl2 Co N8 O2 -","- C30 H30 Cl2 Co N8 O2 -","- C120 H120 Cl8 Co4 N32 O8 -","4","0.5","TA1062","Cheng, K.-L.; Sheu, S.-C.; Lee, G.-H.; Lin, Y-C.; Wang, Y.; Ho, T.-I.","[6,6'-Bis(benzimidazol-2-yl-<i>N</i>^3^)-2,2'-bipyridine]dichlorocobalt(II)‒Dimethylformamide (1/2)","Acta Crystallographica Section C","1997","53","9","1238","1240","10.1107/S0108270196015387","","","0.71073","MoKα","","0.149","0.149","","0.048","0.048","","","","","1.08","1.08","","","","","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",""
"2006542","10.597","0.002","21.337","0.002","5.855","0.001","90","","90","","90","","1323.9","0.4","296","","23","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H18 N2 O11 S -","- C6 H18 N2 O12 S -","- C24 H72 N8 O48 S4 -","4","1","TA1155","Zhang, Hong; Wang, Ximin; Chang, Xienan; Xiao, Weiqiang; Zhang, Kecong; Teo, Boon K.","An Assessment of Ionic and Hydrogen Bonding in the Crystal Structure of (<small>DL</small>-Serine. H^+^)~2~.SO~4~^2{-^}.H~2~O","Acta Crystallographica Section C","1997","53","9","1286","1288","10.1107/S0108270197006951","","","0.7107","MoKα","","","0.034","","","0.032","","","","","1.95","1.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006543","11.075","0.001","9.268","0.001","40.17","0.005","90","","94.05","0.01","90","","4112.9","0.8","293","3","293","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine] . [4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzene-sulfonamide] 1:2 complex monohydrate","","- C38 H48 N12 O8 S2 -","- C38 H48 N12 O8 S2 -","- C152 H192 N48 O32 S8 -","4","1","VJ1044","Nicola Sardone; Giampiero Bettinetti; Milena Sorrenti","Trimethoprim–Sulfadimidine 1:2 Molecular Complex Monohydrate","Acta Crystallographica Section C","1997","53","9","1295","1299","10.1107/S0108270197000425","","","1.54184","CuKα","","0.055","0.049","","","0.05","","","","","1.616","1.616","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"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",""
"2006545","11.388","0.002","10.171","0.002","11.767","0.005","90","0.03","90","0.03","90","0.01","1362.9","0.7","294","","294","","","","","","","","","4","P b c a","","","","","","- C5 H8 N4 O2 -","- C5 H8 N4 O2 -","- C40 H64 N32 O16 -","8","1","AB1467","Piacenza, Guy; Beguet, Christelle; Wimmer, Eric; Gallo, Roger; Giorgi, Michel","2,4,6,8-Tetraazabicyclo[3.3.1]nonane-3,7-dione and 2,4,6,8-Tetraacetyl-2,4,6,8-tetraazabicyclo[3.3.1]nonane-3,7-dione","Acta Crystallographica Section C","1997","53","10","1459","1462","10.1107/S0108270197006495","","","0.71073","MoKα","","0.049","0.039","","","0.052","","","","","1.835","1.835","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006546","8.979","0.002","16.265","0.006","10.342","0.001","90","0.02","99.63","0.02","90","0.02","1489.1","0.7","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N4 O6 -","- C13 H16 N4 O6 -","- C52 H64 N16 O24 -","4","1","AB1467","Piacenza, Guy; Beguet, Christelle; Wimmer, Eric; Gallo, Roger; Giorgi, Michel","2,4,6,8-Tetraazabicyclo[3.3.1]nonane-3,7-dione and 2,4,6,8-Tetraacetyl-2,4,6,8-tetraazabicyclo[3.3.1]nonane-3,7-dione","Acta Crystallographica Section C","1997","53","10","1459","1462","10.1107/S0108270197006495","","","0.71073","MoKα","","0.071","0.047","","","0.062","","","","","2.165","2.165","","","","","has coordinates,has Fobs","208377","2020-10-21","18:00:00",""
"2006547","12.479","0.003","27.145","0.008","12.591","0.004","90","","97.4","0.01","90","","4230","2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,11,17,23-tetra(methylthio)-25,26,27,28-tetrapropoxy-calix[4]arene","","- C44 H56 O4 S4 -","- C44 H56 O4 S4 -","- C176 H224 O16 S16 -","4","1","AB1468","Schultz, Thomas M.; Hazell, Rita G.; Larsen, Mogens","The Cone Conformer of a Tetrakis(methylthio)tetrapropoxycalix[4]arene","Acta Crystallographica Section C","1997","53","10","1495","1497","10.1107/S0108270197007725","","","0.71073","MoKα","","","0.057","","","0.067","","","","","1.466","1.466","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006548","11.097","0.005","9.869","0.005","17.325","0.004","90","","104.9","0.02","90","","1833.6","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu{Ni(CN)~4~}(dien)(mea)].2H~2~O","Tetracyanonickelato(II){N-(2-aminoethyl)-1,2-ethanediamine}(2-aminoeth anol)copper(II)-water(1/2)","","- C10 H24 Cu N8 Ni O3 -","- C10 H24 Cu N8 Ni O3 -","- C40 H96 Cu4 N32 Ni4 O12 -","4","1","AB1476","Kurihara, Hiroyuki; Nishikiori, Shin-ichi; Iwamoto, Toschitake","Monodentate Ligation of Tetracyanonickelate(II): (2-Aminoethanol)[<i>N</i>-(2-aminoethyl)-1,2-ethanediamine][tetracyanonickelato(II)]copper(II)‒Water (1/2)","Acta Crystallographica Section C","1997","53","10","1409","1411","10.1107/S010827019700632X","","","0.71069","MoKα","","","0.0433","","","0.1087","","","","","1.102","1.102","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2006549","9.511","0.001","12.754","0.002","10.363","0.001","97.42","0.01","87.45","0.01","106.81","0.01","1193.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H50 Cl2 Fe2 P2 Pt -","- C56 H50 Cl2 Fe2 P2 Pt -","- C56 H50 Cl2 Fe2 P2 Pt -","1","0.5","AB1485","Otto, Stefanus; Roodt, Andreas","<i>trans</i>-Dichlorobis(ferrocenyldiphenylphosphine-<i>P</i>)platinum(II)‒Benzene (1/2)","Acta Crystallographica Section C","1997","53","10","1414","1416","10.1107/S0108270197008044","","","1.54178","CuKα","","0.044","0.043","","0.112","0.109","","","","1.05","1.036","1.036","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006550","16.488","0.007","18.221","0.003","11.67","0.008","90","","103.76","0.04","90","","3405","3","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-(E)-3-(4-hydroxyphenyl)-N-[4-(3-methyl-2,5-dioxo-1- pyrrolidinyl)butyl]-2-propenamide","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C144 H176 N16 O32 -","8","2","AB1491","Linden, Anthony; Kuehne, Paul; Hesse, Manfred","A Putrescine Triamide from <i>Lilium regale</i>","Acta Crystallographica Section C","1997","53","10","1472","1475","10.1107/S0108270197008457","","","0.71069","MoKα","","0.1559","0.0636","","0.2236","","0.1835","","","1.235","","","1.047","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006551","8.8144","0.0001","9.1481","0.0001","27.8748","0.0003","90","","97.827","0.001","90","","2226.74","0.04","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 O3 -","- C31 H22 O3 -","- C124 H88 O12 -","4","1","BK1278","Muneer, M.; Rath, Nigam P.; George, M. V.","Photoproducts Derived from 9-Substituted Dibenzobarrelenes","Acta Crystallographica Section C","1997","53","10","1475","1478","10.1107/S0108270197006343","","","0.71073","MoKα","","0.084","0.048","","0.128","0.104","","","","1.01","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006552","8.7753","0.0001","9.2567","0.0001","28.1011","0.0002","90","","92.934","0.001","90","","2279.67","0.04","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 O3 -","- C31 H22 O3 -","- C124 H88 O12 -","4","1","BK1278","Muneer, M.; Rath, Nigam P.; George, M. V.","Photoproducts Derived from 9-Substituted Dibenzobarrelenes","Acta Crystallographica Section C","1997","53","10","1475","1478","10.1107/S0108270197006343","","","0.71073","MoKα","","0.068","0.048","","0.118","0.107","","","","1.06","1.12","1.12","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006553","8.537","0.001","15.946","0.005","18.756","0.004","90","","92.53","0.02","90","","2550.8","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-diphenyl[2,6-diacetylpyridinebis(thiosemicarbazone)]tin(IV) chloride","","- C23 H24 Cl N7 S2 Sn -","- C23 H24 Cl N7 S2 Sn -","- C92 H96 Cl4 N28 S8 Sn4 -","4","1","BK1300","Moreno, Patricia C.; Francisco, Regina H. P.; Gambardella, M. Teresa do P.; Sousa, Gerimario F. de; Abras, Anuar","<i>trans</i>-[2,6-Diacetylpyridine bis(thiosemicarbazone)(1‒)]diphenyltin(IV) Chloride","Acta Crystallographica Section C","1997","53","10","1411","1414","10.1107/S0108270197007002","","","0.71073","MoKα","","0.071","0.036","","0.098","0.078","","","","1.109","1.039","1.039","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006554","3.971","0.002","8.904","0.002","31.417","0.002","90","","92.84","0.03","90","","1109.5","0.6","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4-dimethoxy-2-naphthoic acid","","","- C13 H12 O4 -","- C13 H13 O4 -","- C52 H52 O16 -","4","1","BK1333","Blackburn, Anthony C.; Gerkin, Roger E.","1,4-Dimethoxy-2-naphthoic Acid","Acta Crystallographica Section C","1997","53","10","1425","1427","10.1107/S0108270197008299","","","0.71073","MoKα","","","0.059","","","","0.053","","","","","","1.58","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006555","12.5744","0.0004","7.4608","0.0002","14.4604","0.0004","90","","90.304","0.001","90","","1356.58","0.07","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-cyano-6-(4'-methoxyphenyl)-5-methyl-4-methylthio-2-pyranone","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C60 H52 N4 O12 S4 -","4","1","BM1145","Azim, Abul; Parmar, Virinder S.; Errington, William","3-Cyano-6-(4-methoxyphenyl)-5-methyl-4-methylthio-2<i>H</i>-pyran-2-one","Acta Crystallographica Section C","1997","53","10","1436","1438","10.1107/S0108270197007336","","","0.71073","MoKα","","0.0635","0.0485","","0.11","0.1004","","","","1.177","1.184","1.184","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006556","29.0856","0.0013","9.7417","0.0004","21.114","0.0009","90","","126.853","0.001","90","","4787.1","0.4","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aquatetrachlorotris(tetrahydrofuran)thorium(IV). Tetrahydrofuran Solvate.","","- C16 H34 Cl4 O5 Th -","- C16 H34 Cl4 O5 Th -","- C128 H272 Cl32 O40 Th8 -","8","1","BM1151","Spry, Marcus P; Errington, William; Willey, Gerald R","Aquatetrachlorotris(tetrahydrofuran-<i>O</i>)thorium(IV) Tetrahydrofuran Solvate (1/1)","Acta Crystallographica Section C","1997","53","10","1388","1390","10.1107/S0108270197008378","","","0.71073","MoKα","","0.0358","0.0239","","0.0498","0.0461","","","","1.026","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006557","4.939","0.002","20.11","0.006","10.003","0.003","90","","98.85","0.02","90","","981.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Author name: bis(aqua)bis(1-methoxy-4-carbomethoxy-1,3-butanedionato-O,O')zinc(II)","","- C14 H22 O12 Zn -","- C14 H22 O12 Zn -","- C28 H44 O24 Zn2 -","2","0.5","BM1165","John Fawcett; Raymond D. W. Kemmitt; David R. Russell; Kuldip Singh","Diaquabis(dimethyl 3-oxopentanedioato-<i>O</i>^1^,<i>O</i>^3^)zinc(II)","Acta Crystallographica Section C","1997","53","10","1422","1424","10.1107/S010827019700838X","","","0.71073","MoKα","","0.055","0.034","","0.092","0.081","","","","1.061","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006558","23.0801","0.0002","5.51742","0.00006","19.5747","0.0002","90","","122.93","0.0004","90","","2092.21","0.04","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis-methylammonium heptamolybdate(VI)","","- C2 H12 Mo7 N2 O22 -","- C2 Mo7 N2 O22 -","- C8 Mo28 N8 O88 -","4","0.5","BR1181","Zavalij, Peter Y.; Whittingham, M. Stanley","The Layered Methylammonium Molybdate (NH~3~CH~3~)~2~[Mo~7~O~22~] from X-ray Powder Data","Acta Crystallographica Section C","1997","53","10","1374","1376","10.1107/S010827019700601X","","","1.54056","CuKα~1~","","","0.038","","","","","","","2.47","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006559","9.507","0.007","11.989","0.007","14.874","0.009","90","","92.31","0.06","90","","1694","1.9","296.2","","296.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Br3 Mo N3 S3 -","- C9 H6 Br3 Mo N3 S3 -","- C36 H24 Br12 Mo4 N12 S12 -","4","1","BR1185","James, Michael; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","<i>trans</i>-Tribromotris(1,3-thiazole-<i>N</i>)molybdenum(III)","Acta Crystallographica Section C","1997","53","10","1391","1393","10.1107/S0108270197007129","","","0.7107","MoKα","","0.049","0.049","","0.061","0.061","","","","2.346","2.346","2.346","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006560","9.127","0.001","10.522","0.001","37.195","0.002","90","","90","","90","","3572","0.6","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tyr-D-Tic","tyrosyl-D-tetrahydroisoquinoline-3-carboxylic acid","","- C19 H23 N2 O5.5 -","- C19 H23 N2 O5.5 -","- C152 H184 N16 O44 -","8","2","BS1028","Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; Christi Moore; Robert Cudney; George, Clifford","Tyrosinium-<small>D</small>-tetrahydroisoquinoline-3-carboxylate 1.5-Hydrate and Tyrosyl-<small>D</small>-tetrahydroisoquinoline-3-carboxamide Hydrate","Acta Crystallographica Section C","1997","53","10","1478","1482","10.1107/S0108270197006975","","","1.54178","CuKα","","0.0529","0.0458","","0.1267","0.1207","","","","1.063","1.083","1.083","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2006561","8.981","0.001","10.597","","9.703","0.001","90","","98.76","0.01","90","","912.68","0.14","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","Tyr-D-Tic-NH2","tyrosyl-D-tetrahydroisoquinoline-3-carboxamide","","- C19 H23 N3 O4 -","- C19 H23 N3 O4 -","- C38 H46 N6 O8 -","2","1","BS1028","Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; Christi Moore; Robert Cudney; George, Clifford","Tyrosinium-<small>D</small>-tetrahydroisoquinoline-3-carboxylate 1.5-Hydrate and Tyrosyl-<small>D</small>-tetrahydroisoquinoline-3-carboxamide Hydrate","Acta Crystallographica Section C","1997","53","10","1478","1482","10.1107/S0108270197006975","","","1.54178","CuKα","","0.0536","0.0484","","0.1408","0.1339","","","","1.044","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006562","11.799","0.002","8.155","0.002","25.063","0.003","90","","91.11","0.01","90","","2411.1","0.8","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H70 N4 O12 -","- C46 H70 N4 O12 -","- C92 H140 N8 O24 -","2","0.5","CF1074","Griesar, Klaus; Haase, Wolfgang; Svoboda, Ingrid; Fuess, Hartmut","A Nitroxide Tetraradical Exhibiting Ferromagnetic Coupling","Acta Crystallographica Section C","1997","53","10","1488","1490","10.1107/S0108270197002461","","","0.71069","MoKα","","0.0655","0.0374","","0.1269","0.104","","","","0.861","0.851","0.851","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006563","9.89","0.003","10.437","0.003","14.79","0.004","90","","97.75","0.02","90","","1512.7","0.8","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans 1-hydroxy-2,6-diphenyl-4-piperidone oxime ?","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","CF1113","Díaz, Eduardo; Barrios, Héctor; Toscano, Rubén A.","Three <i>trans</i>-2,6-Diaryl Derivatives of Oximes of <i>N</i>-Hydroxy-4-piperidone","Acta Crystallographica Section C","1997","53","10","1468","1471","10.1107/S0108270197002953","","","1.54178","CuKα","","0.0712","0.0501","","0.1383","0.128","","","","1.058","1.188","1.188","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006564","10.169","0.005","14.129","0.008","10.039","0.006","90","","90.67","0.04","90","","1442.3","1.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-1-hydroxy-2,6-bis(1-methyl-2-pyrrolyl)-4-piperidone oxime","","- C15 H20 N4 O2 -","- C15 H20 N4 O2 -","- C60 H80 N16 O8 -","4","1","CF1113","Díaz, Eduardo; Barrios, Héctor; Toscano, Rubén A.","Three <i>trans</i>-2,6-Diaryl Derivatives of Oximes of <i>N</i>-Hydroxy-4-piperidone","Acta Crystallographica Section C","1997","53","10","1468","1471","10.1107/S0108270197002953","","","1.54178","CuKα","","0.0913","0.0898","","0.2585","0.2555","","","","1.106","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006565","9.479","0.003","10.229","0.003","8.625","0.002","108.98","0.02","112.91","0.02","91.69","0.02","716.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","trans 1-hydroxy-2,6-bis(2-thiophenyl)-4-piperidone oxime","","- C13 H14 N2 O2 S2 -","- C13 H14 N2 O2 S2 -","- C26 H28 N4 O4 S4 -","2","1","CF1113","Díaz, Eduardo; Barrios, Héctor; Toscano, Rubén A.","Three <i>trans</i>-2,6-Diaryl Derivatives of Oximes of <i>N</i>-Hydroxy-4-piperidone","Acta Crystallographica Section C","1997","53","10","1468","1471","10.1107/S0108270197002953","","","1.54178","CuKα","","0.0717","0.0696","","0.1938","0.1909","","","","1.064","1.1","1.1","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006566","7.8937","0.0006","10.808","0.002","19.523","0.002","90","","90","","90","","1665.6","0.4","298","2","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6α,7β-dihydroxyvouacapan-17β-lactone","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","CF1155","Abrahão-Junior, Odonirio; Gambardella, Maria Teresa do P.; Ruggiero, Silvana Guilardi; Sacramento, Tania Marcia; Stefani, Guglielmo Marconi; Pilo-Veloso, Dorila","6α-Hydroxyvouacapan-7β,17β-lactone","Acta Crystallographica Section C","1997","53","10","1508","1510","10.1107/S0108270197006057","","","0.71073","MoKα","","0.2099","0.0565","","0.1795","0.1099","","","","1.169","1.109","1.109","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006567","12.2981","0.001","12.873","0.003","12.508","0.003","90","","97.358","0.01","90","","1963.9","0.7","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cl3 Fe N4 O4 -","- C15 H20 Cl3 Fe N4 O4 -","- C60 H80 Cl12 Fe4 N16 O16 -","4","1","CF1163","Alcock, Nathaniel W.; Rybak-Akimova, Elena V.; Busch, Daryle H.","A <i>cis</i>-Octahedral Dichloro Complex of Fe^III^ with a Tetradentate Dipyridyl‒Diamino Ligand","Acta Crystallographica Section C","1997","53","10","1385","1387","10.1107/S0108270197004459","","","0.71073","MoKα","","0.0748","0.0476","","0.1137","0.1001","","","","1.032","1.062","1.062","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006568","6.681","0.003","9.093","0.001","16.067","0.003","70.89","0.01","75.48","0.03","83.96","0.04","892.5","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","2-Isobutyl-4-oxo-5,5-dimethyltetrahydropyran","","- C17 H24 N4 O5 -","- C17 H24 N4 O5 -","- C34 H48 N8 O10 -","2","1","CF1165","Lane, Alexandra L.; Rossiter, Karen J.; Sell, Charles S.; Watkin, David J.","The Novel Fragrance 2-Isobutyl-4-oxo-5,5-dimethyltetrahydropyran as its 2,4-Dinitrophenylhydrazone Derivative","Acta Crystallographica Section C","1997","53","10","1444","1445","10.1107/S0108270197008470","","","1.5418","CuKα","","","0.055","","","0.1771","","","","","0.741","0.741","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006569","30.404","0.004","10.276","0.001","18.742","0.003","90","","108.92","0.01","90","","5539.2","1.3","163","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H26 O3 P Rh -","- C34 H26 O3 P Rh -","- C272 H208 O24 P8 Rh8 -","8","2","CF1166","Lamprecht, Delanie; Lamprecht, Gert J.; Botha, J. Mattheus; Umakoshi, Keisuke; Sasaki, Yoichi","Carbonyl(1,3-diphenyl-1,3-propanedionato-<i>O</i>,<i>O</i>')(triphenylphosphine-<i>P</i>)rhodium(I)","Acta Crystallographica Section C","1997","53","10","1403","1405","10.1107/S0108270197007439","","","0.71073","MoKα","","","0.035","","","0.043","","","","","2.564","2.564","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006570","9.1496","0.0008","8.5119","0.0006","19.9057","0.0017","90","","98.99","0.002","90","","1531.2","0.2","220","2","220","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(3',4'-Dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enone","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","CF1168","Sharma, Nawal K.; Kumar, Rajesh; Parmar, Virinder S.; Errington, William","1-(3,4-Dimethoxyphenyl)-3-(3-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section C","1997","53","10","1438","1440","10.1107/S0108270197006677","","","0.71073","MoKα","","0.0609","0.0471","","0.1283","0.1149","","","","1.066","1.073","1.073","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006571","9.1163","0.0009","16.05","0.002","8.705","0.0008","90","","99.608","0.002","90","","1255.8","0.2","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-cyano-6-(2'-methoxyphenyl)-4-methylthio-2-pyranone","","- C14 H11 N O3 S -","- C14 H11 N O3 S -","- C56 H44 N4 O12 S4 -","4","1","CF1174","Malhotra, Sanjay; Parmar, Virinder S; Errington, William","3-Cyano-6-(2-methoxyphenyl)-4-methylthio-2<i>H</i>-pyran-2-one","Acta Crystallographica Section C","1997","53","10","1442","1444","10.1107/S0108270197007294","","","0.71073","MoKα","","0.06","0.0438","","0.1232","0.1124","","","","0.992","1.049","1.049","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006572","7.726","0.002","10.22","0.002","15.169","0.003","90","","99.67","0.02","90","","1180.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 I Li O4 -","- C8 H16 I Li O4 -","- C32 H64 I4 Li4 O16 -","4","1","CF1181","Eaborn, Colin; Farook, Adam; Hitchcock, Peter B.; Smith, J. David","<i>catena</i>-Poly[[(1,4-dioxane-<i>O</i>^1^)iodolithium]-μ-(1,4-dioxane-<i>O</i>^1^:<i>O</i>^4^)]","Acta Crystallographica Section C","1997","53","10","1387","1388","10.1107/S0108270197008482","","","0.71073","MoKα","","0.0511","0.0335","","0.0842","0.0757","","","","1.005","1.038","1.038","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006573","8.5946","0.0006","18.775","0.002","9.0289","0.0006","90","","91.58","0.04","90","","1456.4","0.2","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(2-Acetoxy-4-methyoxyphenyl)-2-phenylethanone","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","CF1183","Pati, Hari N.; Parmar, Virinder S.; Errington, William","1-(2-Acetoxy-4-methoxyphenyl)-2-phenylethanone","Acta Crystallographica Section C","1997","53","10","1440","1442","10.1107/S0108270197007567","","","0.71073","MoKα","","0.0524","0.0393","","0.1006","0.0915","","","","1.121","1.142","1.142","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006574","22.01","0.01","9.573","0.003","25.895","0.004","90","","96.37","0.02","90","","5422","3","296.2","","296.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H62 Cs4 Dy2 N6 O33 -","- C28 H62 Cs4 Dy2 N6 O32.5 -","- C112 H248 Cs16 Dy8 N24 O130 -","4","0.5","FG1240","Sakagami, Narumi; Homma, Jun-ichi; Konno, Takumi; Okamoto, Ken-ichi","Tetracaesium Bis(diethylenetriamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''-pentacetato)didysprosate(III) Tridecahydrate","Acta Crystallographica Section C","1997","53","10","1378","1381","10.1107/S0108270197006021","","","0.7107","MoKα","","","0.0329","","","0.0372","","","","","1.262","1.262","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006575","6.9449","0.0005","10.5817","0.0005","17.8569","0.0008","74.196","0.004","78.952","0.004","73.558","0.004","1201.68","0.12","293","","293","","","","","","","","","3","P -1","-P 1","2","","5-Formyl-1,1,8,8-tetrakis(methoxycarbonyl)-(4E,11Z,13E)- cyclopentadeca-4,11,13-triene","","- C24 H32 O9 -","- C24 H32 O9 -","- C48 H64 O18 -","2","1","FG1245","Drouin, Marc; Hall, Dennis G.; Caillé, Alain-Sébastien; Pierre Deslongchamps","Unique <i>trans</i>-<i>syn</i>-<i>cis</i> [6.6.7] Tricycle Derivative from Transannular Diels‒Alder Contraction of a Model 15-Membered <i>trans</i>-<i>cis</i>-<i>cis</i> Macrocyclic Triene","Acta Crystallographica Section C","1997","53","10","1490","1493","10.1107/S0108270197005635","","","1.54184","CopperKα","","0.067","0.046","","0.068","0.061","","","","","1.41","1.41","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006576","13.549","0.002","15.413","0.002","24.49","0.002","79.073","0.011","75.749","0.009","70.254","0.012","4633.6","1.1","293","2","193","2","","","","","","","","4","P -1","-P 1","2","","rac-1S,2S,7R,10R)-(8Z)-1-p-bromobenzoyl-5,5,13,13-tetrakis(methoxycarbonyl) tricyclo[8.5.0.0^2,7^]pentadec-8-ene.","","- C31.51 H38.52 Br O10.25 -","- C31.506 H38.5197 Br O10.253 -","- C189.036 H231.118 Br6 O61.518 -","6","3","FG1245","Drouin, Marc; Hall, Dennis G.; Caillé, Alain-Sébastien; Pierre Deslongchamps","Unique <i>trans</i>-<i>syn</i>-<i>cis</i> [6.6.7] Tricycle Derivative from Transannular Diels‒Alder Contraction of a Model 15-Membered <i>trans</i>-<i>cis</i>-<i>cis</i> Macrocyclic Triene","Acta Crystallographica Section C","1997","53","10","1490","1493","10.1107/S0108270197005635","","","1.54184","CopperKα","","0.0845","0.0614","","0.1753","0.1568","","","","1.067","1.178","1.178","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006577","9.504","0.003","18.536","0.005","10.305","0.003","90","","112.76","0.02","90","","1674","0.9","295","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[hydridotris(pyrazolyl)borato]-bis[1,1-diphenylhydrazido(2-)]chloromo- lybdenum(VI)","","- C33 H30 B Cl Mo N10 -","- C33 H30 B Cl Mo N10 -","- C66 H60 B2 Cl2 Mo2 N20 -","2","1","FG1296","Carolina Manzur; David Carrillo; Daphne Boys","Chlorobis[1,1'-diphenylhydrazido(2‒)-<i>N</i>^2^][hydridotris(pyrazolyl-<i>N</i>^2^)borato]molybdenum(VI)","Acta Crystallographica Section C","1997","53","10","1401","1403","10.1107/S0108270197007452","","","0.71073","MoKα","","0.037","0.03","","0.075","0.073","","","","1.008","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006578","7.921","0.0009","10.668","0.001","10.728","0.001","90","","94.4","0.01","90","","903.86","0.16","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 Br O4 -","- C20 H25 Br O4 -","- C40 H50 Br2 O8 -","2","1","FG1310","Zukerman-Schpector, J.; Castellano, E.E.; Ceschi, Marco Antonio; Brocksom, Timothy John; Wikaira, Jan L.","Intermediates in the Synthesis of <i>Daphniphyllum</i> Alkaloids. I. A Tetracyclic Oxygen Analogue","Acta Crystallographica Section C","1997","53","10","1482","1483","10.1107/S0108270197005222","","","0.71073","MoKα","","0.092","0.042","","0.117","","0.098","","","1.077","","","1.159","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006579","9.911","0.0015","5.404","0.002","10.0873","0.0013","90","","106.347","0.01","90","","518.4","0.2","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(2-deoxy-α-D-erythro-pentopyranosyl)-1-(R),2-(R)-4-methyl-4- triazolidine-3,5-dione","","- C8 H13 N3 O5 -","- C8 H13 N3 O5 -","- C16 H26 N6 O10 -","2","1","FG1326","Meyers, Cal Y.; Hou, Yuqing; Kolb, Vera M.; Robinson, Paul D.","(1<i>R</i>,2<i>R</i>)-4-Methylurazole-α-<small>D</small>-pyranosyl-2-deoxyriboside from Reaction of 4-Methylurazole with 2-Deoxy-<small>D</small>-ribose","Acta Crystallographica Section C","1997","53","10","1502","1505","10.1107/S0108270197007476","","","0.71069","MoKα","","0.0728","0.0383","","0.12","","0.1037","","","1.046","1.111","1.111","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006580","11.448","0.002","12.098","0.002","19.305","0.003","90","","106.3","0.02","90","","2566.2","0.8","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","10-Iodo-bis(5-iodo-1,3,3-trimethylindoline-2yl)monomethinium Perchlorate","","- C23 H24 Cl I3 N2 O4 -","- C23 H24 Cl I3 N2 O4 -","- C92 H96 Cl4 I12 N8 O16 -","4","1","FG1330","Johannes, Hans-Hermann; Grahn, Walter; Dix, Ina; Jones, Peter G.","5-Iodo-2-[iodo(5-iodo-1,3,3-trimethyl-2-indolinylidene)methyl]-1,3,3-trimethyl-3<i>H</i>-indolium Perchlorate: a Highly Overcrowded Cyanine Dye","Acta Crystallographica Section C","1997","53","10","1432","1434","10.1107/S0108270197007580","","","0.71073","MoKα","","0.037","0.0286","","0.0599","0.0558","","","","1.076","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006581","11.6191","0.0014","12.576","0.002","13.474","0.002","106.666","0.01","100.155","0.008","103.946","0.01","1765.6","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","N,N'-Di(benzenesulfonyl)sulfamide Dichloromethane Solvate (1/0.5)","","- C12.5 H13 Cl N2 O6 S3 -","- C12.5 H13 Cl N2 O6 S3 -","- C50 H52 Cl4 N8 O24 S12 -","4","2","FG1336","Hiemisch, Oliver; Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. LXXXVII. Bis(benzenesulfonamido) Sulfone‒Dichloromethane (1/0.5)","Acta Crystallographica Section C","1997","53","10","1429","1432","10.1107/S010827019700704X","","","0.71073","MoKα","","0.0828","0.0411","","0.0941","0.0833","","","","0.856","0.99","0.99","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006582","24.312","0.005","9.464","0.002","9.454","0.003","90","","90.06","0.02","90","","2175.3","0.9","178","2","178","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Acetamidoadamantane","","- C12 H19 N O -","- C12 H19 N O -","- C96 H152 N8 O8 -","8","1","FG1344","Pröhl, Hans-Heinrich; Blaschette, Armand; Jones, Peter G.","1-Acetamidoadamantane","Acta Crystallographica Section C","1997","53","10","1434","1436","10.1107/S0108270197007610","","","0.71073","MoKα","","0.0595","0.0387","","0.1151","0.0986","","","","1.029","1.087","1.087","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006583","8.528","0.002","11.565","0.002","11.993","0.003","71.34","0.02","74.77","0.02","79.26","0.02","1074.5","0.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H30 N4 O12 -","- C18 H30 N4 O12 -","- C36 H60 N8 O24 -","2","1","FR1042","Finnen, Daniel C.; Pinkerton, A. Alan","The Chelating Agent <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''',<i>N</i>'''-Triethylenetetraminehexacetic Acid (TTHA)","Acta Crystallographica Section C","1997","53","10","1455","1457","10.1107/S0108270197005969","","","0.71073","MoKα","","0.105","0.043","","","0.049","","","","","1.39","1.39","","","","","has coordinates","176759","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",""
"2006585","9.134","0.001","12.328","0.001","10.314","0.001","90","","90","","90","","1161.4","0.19","296","","296","","","","","","","","","4","P b c m","-P 2c 2b","57","titanium endo-isodicyclopentadienide trichloride","(η^5^-endo-tricyclo[5.2.1.0^2,6^]deca-2,5-dien-3-yl) trichlorotitanium","","- C10 H11 Cl3 Ti -","- C10 H11 Cl3 Ti -","- C40 H44 Cl12 Ti4 -","4","0.5","FR1048","Gallucci, Judith C.; Kozmina, Natasha; Paquette, Leo A.; Zaegel, Florence; Meunier, Philippe; Gautheron, Bernard","<i>endo</i> and <i>exo</i> Isomers of Isodicyclopentadienyltrichlorotitanium","Acta Crystallographica Section C","1997","53","10","1416","1420","10.1107/S0108270197006781","","","0.7107","MoKα","","","0.038","","","","0.03","","","","","","1.58","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006586","12.4368","0.0008","9.062","0.0001","10.3153","0.0009","90","","90","","90","","1162.56","0.13","296","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","titanium exo-isodicyclopentadienide trichloride","(η^5^-exo-tricyclo[5.2.1.0^2,6^]deca-2,5-dien-3-yl) trichlorotitanium","","- C10 H11 Cl3 Ti -","- C10 H11 Cl3 Ti -","- C40 H44 Cl12 Ti4 -","4","1","FR1048","Gallucci, Judith C.; Kozmina, Natasha; Paquette, Leo A.; Zaegel, Florence; Meunier, Philippe; Gautheron, Bernard","<i>endo</i> and <i>exo</i> Isomers of Isodicyclopentadienyltrichlorotitanium","Acta Crystallographica Section C","1997","53","10","1416","1420","10.1107/S0108270197006781","","","0.7107","MoKα","","","0.026","","","","0.023","","","","1.7","1.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006587","9.029","0.002","15.416","0.003","14.695","0.003","90","","107.8","0.03","90","","1947.5","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tetrakis(ethylenediamine)yttrium (2.75)hydrosulfide 0.25Iodine","tetrakis(ethylenediamine)yttrium (2.75)hydrosulfide 0.25Iodine","","- C8 H34.72 I0.28 N8 S2.72 Y -","- C8 H34.722 I0.278 N8 S2.722 Y -","- C32 H138.888 I1.112 N32 S10.888 Y4 -","4","0.5","FR1053","George, Clifford; Purdy, Andrew P.","Tetrakis(ethylenediamine)yttrium(III) Hydrosulfide Iodide","Acta Crystallographica Section C","1997","53","10","1381","1383","10.1107/S010827019700749X","","","0.71073","MoKα","","0.068","0.044","","0.105","0.095","","","","1.055","1.094","1.094","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006588","7.446","0.001","12.1722","0.0006","6.9261","0.0007","90","","108.93","0.01","90","","593.79","0.11","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-aminonicotinic acid","","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","1","FR1064","Dobson, Allison J.; Gerkin, Roger E.","2-Aminonicotinic Acid","Acta Crystallographica Section C","1997","53","10","1427","1429","10.1107/S0108270197008226","","","0.71073","MoKα","","","0.062","","","","0.057","","","","","","1.74","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006589","7.667","0.001","6.862","0.001","14.608","0.002","90","","90","","90","","768.54","0.18","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Coppermolybdate","","- Cu3 Mo2 O9 -","- Cu3 Mo2 O9 -","- Cu12 Mo8 O36 -","4","0.5","JZ1185","Udo Steiner; Werner Reichelt","A Reinvestigation of Cu~3~Mo~2~O~9~, a Compound Containing Copper(II) in Compressed Octahedral Coordination","Acta Crystallographica Section C","1997","53","10","1371","1373","10.1107/S0108270197005751","","","0.71073","MoKα","","0.0316","0.0307","","0.0729","0.0724","","","","1.338","1.344","1.344","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006590","12.079","0.003","12.15","0.003","17.641","0.004","87.02","0.03","78","0.03","60.87","0.03","2208.4","1.2","300","1","300","1","","","","","","","","6","P -1","-P 1","2","","[tetrakis(μ~3~tetrahydrofurfuroxo-O,O')-tetra(ethanol)-tetrachloro- tetra(magnesium(II),manganese(II))] ethanol solvent","","- C29 H63 Cl4 Mg2 Mn2 O12.5 -","- C29 H62.5 Cl4 Mg2 Mn2 O12.5 -","- C58 H125 Cl8 Mg4 Mn4 O25 -","2","1","JZ1203","Jerzykiewicz, Lucjan B.; Utko, Józef; Sobota, Piotr","[(Mg~0.5~,Mn~0.5~)~4~{μ~3~,η^2^-OCH~2~CH(CH~2~)~3~O}~4~(EtOH)~4~Cl~4~].0.5EtOH","Acta Crystallographica Section C","1997","53","10","1393","1396","10.1107/S0108270197007920","","","0.71073","MoKα","","0.057","0.0442","","0.12","0.1112","","","","","1.072","1.072","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006591","10.766","0.002","10.825","0.002","11.857","0.003","71.88","0.02","63.47","0.02","73.18","0.02","1156.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-methyl-11,14,17,20-tetraoxa- 2,4,3-diazaphospha-tricyclo[20,3,1,1^5,9^]-heptacosa- 1(26),5,7,9(27),22,24-hexaene-3-sulfide","","- C21 H31 N2 O5 P S -","- C21 H31 N2 O5 P S -","- C42 H62 N4 O10 P2 S2 -","2","1","JZ1208","Declercq, Jean-Paul; Delangle, Pascale; Dutasta, Jean-Pierre; Van Oostenryck, Luc; Tinant, Bernard","1:1 Molecular Complex Between Water and a Macrocyclic Crown Phosphonamide","Acta Crystallographica Section C","1997","53","10","1484","1486","10.1107/S0108270197006604","","","0.71069","MoKα","","0.0687","0.0502","","0.14","","0.1322","","","1.022","","","1.13","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006592","14.954","0.002","12.157","0.001","9.701","0.001","90","","100.76","0.01","90","","1732.6","0.3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(piperidinium) Tetrachloromercurate","","- C10 H24 Cl4 Hg N2 -","- C10 H24 Cl4 Hg N2 -","- C40 H96 Cl16 Hg4 N8 -","4","1","JZ1222","Spengler, Roland; Zouari, Fatma; Ben Salah, Abdelhamid; Burzlaff, Hans","Bis(piperidinium) Tetrachloromercurate","Acta Crystallographica Section C","1997","53","10","1407","1409","10.1107/S0108270197008512","","","0.70926","MoKα~1~","","0.048","0.039","","0.042","","0.04","","","1.31","","","1.38","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006593","5.932","0.001","15.12","0.005","23.564","0.006","90","","90","","90","","2113.5","1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-(-)-N,N'-bis(quinoline-2-methylene)-1,2-cyclohexyldiimine","","- C26 H24 N4 -","- C26 H24 N4 -","- C104 H96 N16 -","4","1","KA1231","Adnan S. Abu-Surrah; Timo V. Laine; Timo Repo; Riad Fawzi; Manfred Steimann; Bernhard Rieger","An Enantiomerically Pure Schiff Base Ligand","Acta Crystallographica Section C","1997","53","10","1458","1459","10.1107/S0108270197006148","","","0.71073","MoKα","","0.045","0.0318","","0.0715","0.0677","","","","1.373","1.486","1.486","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006594","10.834","0.001","9.75","0.001","12.381","0.001","90","","99","0.01","90","","1291.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(salicylato)bis(nicotinamide)copper(II)","","- C26 H22 Cu N4 O8 -","- C26 H22 Cu N4 O8 -","- C52 H44 Cu2 N8 O16 -","2","0.5","KA1233","Leban, Ivan; Kozlevčar, Bojan; Sieler, Joachim; Šegedin, Primož","Bis(nicotinamide-<i>N</i>)bis(salicylato-<i>O</i>,<i>O</i>')copper(II), the Monoclinic Form","Acta Crystallographica Section C","1997","53","10","1420","1422","10.1107/S010827019700615X","","","0.71073","MoKα","","0.046","0.0365","","0.0811","0.0757","","","","1.088","1.106","1.106","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006595","7.8931","0.0002","11.9354","0.0003","18.0705","0.0004","90","","90","","90","","1702.37","0.07","133","","133","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[3-Nitro-phenyl]-[1,3]dioxolane","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C72 H72 N8 O32 -","8","1","KA1235","Bolte, Michael; Marx, Raimund; Scholtyssik, Maria","2-(3-Nitrophenyl)-1,3-dioxolane at 150K","Acta Crystallographica Section C","1997","53","10","1464","1466","10.1107/S0108270197007166","","","0.71073","MoKα","","0.0316","0.0286","","0.08","0.0785","","","","1.056","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006596","11.991","0.002","13.951","0.004","14.923","0.004","96.02","0.02","94.49","0.02","98.42","0.02","2444.7","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H49 Cl N6 O7 P2 Ru -","- C57 H43 Cl N6 O7 P2 Ru -","- C114 H86 Cl2 N12 O14 P4 Ru2 -","2","1","KH1147","Lim, Jong Wan; Yeo, Hwan Jin; Jeong, Jong Hwa","<i>trans</i>-[Bis-2,6-(2-benzimidazolyl-κ<i>N</i>^2^)pyridine-κ<i>N</i>]nitrobis(triphenylphosphine-<i>P</i>)ruthenium(II) Perchlorate Ethanol Solvate","Acta Crystallographica Section C","1997","53","10","1405","1407","10.1107/S0108270197006082","","","0.71073","MoKα","","0.0705","0.0661","","0.1639","0.159","","","","1.069","1.073","1.073","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006597","10.078","0.001","13.7748","0.0009","24.167","0.003","92.048","0.008","90.67","0.01","100.186","0.009","3299.4","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Acetatobis(triphenylphosphine)silver(I)","","- C38 H33 Ag O2 P2 -","- C38 H33 Ag O2 P2 -","- C152 H132 Ag4 O8 P8 -","4","2","KH1148","Ng, Seik Weng; Othman, A. Hamid","Silver Acetate‒Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate","Acta Crystallographica Section C","1997","53","10","1396","1400","10.1107/S0108270197006690","","","0.71073","MoKα","","0.0478","0.0378","","0.1009","0.0937","","","","1.071","1.099","1.099","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006598","44.318","0.006","13.2622","0.0008","25.06","0.003","90","","105.492","0.005","90","","14194","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Acetatobis(triphenylphosphine)silver(I) sesquihydrate","","- C38 H36 Ag O3.5 P2 -","- C38 H36 Ag O3.5 P2 -","- C608 H576 Ag16 O56 P32 -","16","2","KH1148","Ng, Seik Weng; Othman, A. Hamid","Silver Acetate‒Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate","Acta Crystallographica Section C","1997","53","10","1396","1400","10.1107/S0108270197006690","","","0.71073","MoKα","","0.0822","0.0482","","0.1348","0.1162","","","","1.059","1.118","1.118","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006599","15.85","0.001","12.4271","0.0006","19.935","0.002","90","","103.96","0.004","90","","3810.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(acetatotriphenylphosphinesilver(I)] hydrate","","- C40 H38 Ag2 O5 P2 -","- C40 H38 Ag2 O5 P2 -","- C160 H152 Ag8 O20 P8 -","4","1","KH1148","Ng, Seik Weng; Othman, A. Hamid","Silver Acetate‒Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate","Acta Crystallographica Section C","1997","53","10","1396","1400","10.1107/S0108270197006690","","","0.71073","MoKα","","0.0551","0.0449","","0.1178","0.1107","","","","1.138","1.18","1.18","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006600","12.1443","0.0006","19.2794","0.0008","15.8815","0.0009","90","","90","","90","","3718.4","0.3","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Bis[acetatotriphenylphosphinesilver(I)] hemihydrate","","- C40 H37 Ag2 O4.5 P2 -","- C40 H37 Ag2 O4.5 P2 -","- C160 H148 Ag8 O18 P8 -","4","1","KH1148","Ng, Seik Weng; Othman, A. Hamid","Silver Acetate‒Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate","Acta Crystallographica Section C","1997","53","10","1396","1400","10.1107/S0108270197006690","","","0.71073","MoKα","","0.0418","0.033","","0.08","0.0755","","","","1.048","1.065","1.065","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006601","5.2894","0.0005","8.6106","0.0008","9.1884","0.0009","101.801","0.007","97.055","0.009","96.293","0.008","402.61","0.07","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","Bis-4,4'pyridiniumdiazomethane diperchlorate","","- C12 H12 Cl2 N4 O8 -","- C12 H12 Cl2 N4 O8 -","- C12 H12 Cl2 N4 O8 -","1","0.5","KH1150","Chen, Wei; Liu, Cai-ming; Li, Da-guang; You, Xiao-zeng","4,4'-Azinodimethyldipyridinium Diperchlorate, C~12~H~12~N~4~^2+^.2ClO~4~^{-^}","Acta Crystallographica Section C","1997","53","10","1499","1501","10.1107/S0108270197005970","","","0.71073","MoKα","","0.0584","0.0411","","0.1099","0.1024","","","","1.019","1.107","1.107","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2006602","6.193","0.001","9.077","0.001","15.882","0.0002","90.69","0.01","96.39","0.01","101.75","0.01","868.1","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tris(3-chlorophenyl)phosphine oxide.","","- C18 H12 Cl3 O P -","- C18 H12 Cl3 O P -","- C36 H24 Cl6 O2 P2 -","2","1","MU1324","Shawkataly, Omar bin; Ramalingam, Kuppukkannu; Selvakumar, Suppramanian; Fun, Hoong-Kun; Ibrahim, Abdul Razak","Tris(3-chlorophenyl)phosphine Oxide","Acta Crystallographica Section C","1997","53","10","1451","1452","10.1107/S0108270197006045","","","0.71073","MoKα","","0.0958","0.0612","","0.1746","0.159","","","","0.908","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006603","7.957","0.001","10.677","0.001","14.909","0.002","90","","100.51","0.01","90","","1245.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","MU1325","Hoong-Kun Fun; Zhong-Lin Lu; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Yu-Mei Guo; Xiao-Yang Gong","<i>p</i>-Nitrobenzaldehyde Isonicotinoylhydrazone","Acta Crystallographica Section C","1997","53","10","1452","1454","10.1107/S0108270197008135","","","0.71073","MoKα","","0.0719","0.0407","","0.1135","0.1034","","","","0.903","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006604","13.531","0.001","11.766","0.001","10.272","0.003","90","","106.71","0.01","90","","1566.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N3 O2 -","- C16 H19 N3 O2 -","- C64 H76 N12 O8 -","4","1","MU1326","Hoong-Kun Fun; Zhong-Lin Lu; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Xiao-Yang Gong; Yu-Mei Guo","<i>p</i>-(Dimethylamino)benzaldehyde Benzoylhydrazone Monohydrate","Acta Crystallographica Section C","1997","53","10","1454","1455","10.1107/S0108270197008147","","","0.71073","MoKα","","0.1472","0.0456","","0.1258","0.0973","","","","0.788","1.092","1.092","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006605","9.035","0.001","12.501","0.001","6.9634","0.0005","96.62","0.01","102.08","0.01","73.56","0.01","736.31","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-chloro-3-methoxycarbonyl-2-dimethoxyphosphoryl-2H-1-benzopyran","","- C13 H14 Cl O6 P -","- C13 H14 Cl O8 P -","- C26 H28 Cl2 O16 P2 -","2","1","NA1207","Olszak, Tomasz A.; Grabowski, Mieczysław J.; Stępień, Andrzej; Modranka, R.; Kostka, K.","2H-1-Benzopyrans. 4-Chloro-3-methoxycarbonyl-2-dimethoxyphosphoryl-2H-1-benzopyran, (I) and 4-Chloro-2-dimethoxyphosphoryl-2H-1-benzopyran, (II)","Acta Crystallographica Section C","1997","53","","1514","1516","10.1107/S010827019700735X","","","1.54178","CuKα","","0.0444","0.0328","","0.0931","0.0901","","","","1.038","1.195","1.195","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006606","7.8864","0.0005","11.3138","0.001","7.2675","0.0006","108.444","0.007","92.736","0.007","82.8","0.007","610.26","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-chloro-2-dimethoxyphosphoryl-2H-1-benzopyran","","- C11 H12 Cl O4 P -","- C11 H12 Cl O4 P -","- C22 H24 Cl2 O8 P2 -","2","1","NA1207","Olszak, Tomasz A.; Grabowski, Mieczysław J.; Stępień, Andrzej; Modranka, R.; Kostka, K.","2H-1-Benzopyrans. 4-Chloro-3-methoxycarbonyl-2-dimethoxyphosphoryl-2H-1-benzopyran, (I) and 4-Chloro-2-dimethoxyphosphoryl-2H-1-benzopyran, (II)","Acta Crystallographica Section C","1997","53","","1514","1516","10.1107/S010827019700735X","","","1.54178","CuKα","","0.0469","0.0325","","0.091","0.0881","","","","0.966","1.082","1.082","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006607","16.657","0.001","7.351","0.002","18.4","0.002","90","","108.3","0.01","90","","2139.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-(2-phenylethyl)-3,3,6,6 tetramethyl-3,4,6,7,910-hexahydro-1,8(2H,5H) acridine dione","","- C25 H31 N O2 -","- C25 H31 N O2 -","- C100 H124 N4 O8 -","4","1","NA1284","K. Gunasekaran; D. Velmurugan; P. Murugan","3,3,6,6-Tetramethyl-9-(2-phenylethyl)-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione","Acta Crystallographica Section C","1997","53","10","1512","1514","10.1107/S0108270197006987","","","0.71073","MoKα","","0.0583","0.0515","","0.1604","0.1386","","","","1.066","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006608","10.497","0.002","13.332","0.003","19.369","0.004","90","","90","","90","","2710.6","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S)-(+)-Dicarbonyl[h5-(2,6,6-trimethyl-cyclohepta-2,4-diene-1-on)] triphenylphosphan-iron","","- C30 H29 Fe O3 P -","- C30 H29 Fe O3 P -","- C120 H116 Fe4 O12 P4 -","4","1","NA1298","Petrowitsch, Tanja; Grosser, Rolf; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","(2<i>S</i>)-(+)-Dicarbonyl(η^4^-2,6,6-trimethylcyclohepta-2,4-dienone)(triphenylphosphine-<i>P</i>)iron","Acta Crystallographica Section C","1997","53","10","1383","1384","10.1107/S010827019700718X","","","0.71069","MoKα","","0.087","0.034","","0.05","0.044","","","","0.825","0.952","0.952","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006609","7.642","0.004","19.928","0.008","8.388","0.004","90","","113.23","0.02","90","","1173.8","1","291","1","291","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dimethyl 2-iodobenzoylphosphonate","2-iodobenzoylphosphonic acid dimethyl ester","","- C9 H10 I O4 P -","- C9 H10 I O4 P -","- C36 H40 I4 O16 P4 -","4","1","NA1305","Griffiths, D. Vaughan; Harris, Jayne E.; Miller, John R.","Dimethyl 2-Iodobenzoylphosphonate, an Unusual Example of a Crystalline α-Ketophosphonate","Acta Crystallographica Section C","1997","53","10","1462","1464","10.1107/S0108270197006252","","","0.71073","MoKα","","0.0424","0.0335","","0.0966","0.0906","","","","1.147","1.173","1.173","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006610","9.097","0.002","13.94","0.002","8.933","0.003","98.89","0.02","114.81","0.02","83.16","0.02","1014","0.5","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H26 K N2 O15 Yb -","- C10 H26 K N2 O15 Yb -","- C20 H52 K2 N4 O30 Yb2 -","2","1","OA1022","Sakagami, Narumi; Homma, Jun-ichi; Konno, Takumi; Okamoto, Ken-ichi","Potassium Diaqua(ethylenediaminetetraacetato)ytterbate(III) Pentahydrate","Acta Crystallographica Section C","1997","53","10","1376","1378","10.1107/S0108270197006094","","","0.7107","MoKα","","","0.0262","","","0.038","","","","","1.007","1.007","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006611","14.531","0.004","15.867","0.005","13.481","0.004","90","","90","","90","","3108.2","1.6","293.2","","293.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H21 I N2 O -","- C14 H21 I N2 O -","- C112 H168 I8 N16 O8 -","8","1","OA1026","Mikata, Yuji","Out-of-Plane Orientation of the Carbamoyl Group in an NAD Model Compound: Preferred 1,3-Diaxial Methyl Configuration","Acta Crystallographica Section C","1997","53","10","1486","1488","10.1107/S0108270197006926","","","0.7107","MoKα","","0.129","0.051","","0.096","0.071","","","","0.988","1","1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006612","9.974","0.0002","6.752","0.0001","12.4097","0.0002","90","","110.34","0.001","90","","783.61","0.02","133","","133","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,5-dimethyl-1,3-cyclohexanedione","","- C8 H12 O2 -","- C8 H12 O2 -","- C32 H48 O8 -","4","1","QA0018","Bolte, Michael; Scholtyssik, Maria","Dimedone at 133K","Acta Crystallographica Section C","1997","53","10","IUC9700013","","10.1107/S0108270197099423","","","0.71073","MoKα","","0.0402","0.0335","","0.091","0.0872","","","","1.066","1.107","1.107","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006613","9.489","0.001","12.728","0.002","21.415","0.002","90","","90","","90","","2586.4","0.5","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Ethyl-3-(4-methyl-benzolsulfonyl)-2-(4-hydroxy-5- ((1'-hydroxy)-propyl)-2-phenyl-cyclohex-2-ene)-1,3-oxazolidine","","- C27 H35 N O5 S -","- C27 H35 N O5 S -","- C108 H140 N4 O20 S4 -","4","1","QA0020","Bolte, Michael; Monz, Sabine","4-Ethyl-2-[4-hydroxy-5-(1-hydroxypropyl)-2-phenyl-2-cyclohexenyl]-3-tosyl-1,3-oxazolidine","Acta Crystallographica Section C","1997","53","10","IUC9700014","","10.1107/S0108270197099411","","","1.5418","CuKα","","0.046","0.045","","0.1188","0.1169","","","","1.07","1.068","1.068","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006614","5.7263","0.001","6.5517","0.0012","8.8001","0.0007","92.647","0.011","95.889","0.01","105.474","0.014","315.57","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Ethylene diammonium monohydrogenmaleate","","","- C10 H16 N2 O8 -","- C10 H16 N2 O8 -","- C10 H16 N2 O8 -","1","0.5","QB0015","Barnes, John C.; Weakley, Timothy J.R.","Hydrogen Bond Network in Ethylenediammonium Bis(hydrogenmaleate)","Acta Crystallographica Section C","1997","53","10","IUC9700018","","10.1107/S0108270197099381","","","0.71069","MoKα","","0.0355","0.0323","","","","0.1025","","","","","","1.124","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006615","25.4066","0.0003","20.9992","0.0001","15.2026","0.0002","90","","109.024","0.001","90","","7667.87","0.15","133","","133","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-Bis-(2,4,6-Triphenyl-pyrimidin-5-yl)-urea","","- C48 H38 N6 O2 -","- C48 H38 N6 O2 -","- C384 H304 N48 O16 -","8","1","QB0016","Bolte, Michael","1,3-Bis(2,4,6-triphenylpyrimidin-5-yl)urea‒Acetone (1/1) at 133K","Acta Crystallographica Section C","1997","53","10","IUC9700015","","10.1107/S010827019709940X","","","0.71073","MoKα","","0.0504","0.0397","","0.1036","0.0954","","","","1.046","1.057","1.057","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006616","31.441","0.005","8.3824","0.0011","15.409","0.002","90","","102.09","0.012","90","","3971","1","288","2","288","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(N,N-dimethyl-2-pyridin-1H-iumamine) Tetrachlorocobaltate(II)","","- C14 H22 Cl4 Co N4 -","- C14 H22 Cl4 Co N4 -","- C112 H176 Cl32 Co8 N32 -","8","1","QB0019","Land, John M.; Baughman, Russell G.; Hester, Colin A.","Bis[2-(dimethylamino)pyridinium] Tetrachlorocobaltate(II)","Acta Crystallographica Section C","1997","53","10","IUC9700016","","10.1107/S0108270197099435","","","0.71073","MoKα","","0.066","0.04","","0.096","0.083","","","","1.045","1.095","1.095","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006617","22.874","0.006","5.101","0.001","18.261","0.004","90","","122.87","0.01","90","","1789.6","0.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","(S,S)-2-methyl-4-phenyl-N-[(methoxycarbonyl)phenylmethyl]butanamide","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","QB0020","Yoshinobu Inouye; Tetsuya Yabuuti; Takenori Kusumi","Conformation of (<i>S</i>,<i>S</i>)-Methyl (2-Methyl-4-phenylbutanamido)(phenyl)acetate","Acta Crystallographica Section C","1997","53","10","IUC9700017","","10.1107/S0108270197099393","","","0.71073","MoKα","","0.0981","0.0466","","0.133","0.1107","","","","1.043","1.092","1.092","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006618","8.493","0.001","11.253","0.002","11.368","0.002","90","","108.46","0.02","90","","1030.6","0.3","153","2","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H33 N O3 -","- C22 H33 N O3 -","- C44 H66 N2 O6 -","2","1","SK1038","Ertan, Mevlût; Yeşi̇lada, Akgül; Tozkoparan, Birsen; Tarimci, Çeli̇k; Krebs, Bernt; Läge, Mechtild","(1<i>R</i>,2<i>S</i>,4<i>S</i>,11<i>S</i>)-4-Isopropyl-1-methyl-2-(α-<i>N</i>-morpholino-3-methoxybenzyl)cyclohexan-3-one","Acta Crystallographica Section C","1997","53","10","1466","1468","10.1107/S0108270197005064","","","0.71073","MoKα","","0.0367","0.0305","","0.0704","0.0686","","","","","0.943","0.943","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006619","8.962","0.003","9.651","0.004","10.009","0.004","68.45","0.03","71.46","0.03","81.52","0.03","762.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 9-Methyl-11-thioxo-8-oxa-12-acetyl-10,12-diazatricyclo[7.3.1.0^2,7^] trideca-2,4,6-triene-13-carboxylate","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C30 H32 N4 O8 S2 -","2","1","SK1098","Kettmann, Viktor; Svetlík, Ján","Methyl 12-Acetyl-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0^2,7^]trideca-2,4,6-triene-13-carboxylate","Acta Crystallographica Section C","1997","53","10","1493","1495","10.1107/S010827019700557X","","","0.71073","MoKα","","0.0713","0.0505","","0.1453","0.1133","","","","1.041","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006620","13.891","0.002","15.426","0.003","11.014","0.002","102.81","0.02","104.94","0.02","102.71","0.02","2125.2","0.8","291","","291","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 F6 N2 O7 -","- C48 H34 F6 N2 O7 -","- C96 H68 F12 N4 O14 -","2","1","SX1009","Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J.","A <i>trans</i>-1,2-Diarylhexafluorocyclobutane","Acta Crystallographica Section C","1997","53","10","1445","1447","10.1107/S0108270197003764","","","0.71073","MoKα","","0","0.054","","","0.078","","","","","1.469","1.469","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2006621","22.212","0.005","11.646","0.004","19.681","0.004","90","","90","","90","","5091","2","291","","291","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C28.5 H35.5 Cl1.5 N O -","- C28.518 H35 Cl1.554 N O -","- C228.144 H280 Cl12.432 N8 O8 -","8","1","SX1011","Swenson, Dale C.; TePaske, Mark R.; Baenziger, Norman C.; Gloer, James B.","Tubingensin B, a Cytotoxic Carbazole Alkaloid from the Sclerotia of <i>Aspergillus tubingensis</i>","Acta Crystallographica Section C","1997","53","10","1447","1449","10.1107/S0108270197003776","","","0.71073","MoKα","","0.0496","0.0403","","0.1116","0.1023","","","","1.166","1.144","1.144","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006622","11.871","0.001","21.586","0.002","8.484","0.001","90","0.01","102.58","0.01","90","0.01","2121.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 N4 O7 Si -","- C18 H28 N4 O7 Si -","- C72 H112 N16 O28 Si4 -","4","1","SX1022","White, Jonathan M.; Tham, Wai-Ying","9a-Trimethylsilyloctahydroquinolizinium Picrate","Acta Crystallographica Section C","1997","53","10","1471","1472","10.1107/S0108270197006100","","","0.71069","MoKα","","0.0587","0.05","","0.1392","0.1331","","","","1.034","1.089","1.089","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006623","6.5362","0.0006","12.4737","0.0012","32.056","0.003","90","","90","","90","","2613.5","0.4","122","1","122","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","quininium (S)-mandelate","","- C28 H32 N2 O5 -","- C28 H32 N2 O5 -","- C112 H128 N8 O20 -","4","1","SX1027","Gjerløv, Anne B.; Larsen, Sine","Quininium (<i>S</i>)-Mandelate","Acta Crystallographica Section C","1997","53","10","1505","1508","10.1107/S0108270197006112","","","1.54184","CuKα","","0.0291","0.027","","0.0708","0.07","","","","1.059","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006624","9.006","0.002","6.6905","0.0013","10.963","0.002","90","","97.415","0.014","90","","655","0.2","158","","158","","","","","","","","","3","P 1 21 1","P 2yb","4","Aloperine","(6R,7R,9R,11S)‒16,17-Didehydro‒9‒de‒2‒piperidinylormosanine","","- C15 H24 N2 -","- C15 H24 N2 -","- C30 H48 N4 -","2","1","SX1032","Brosius, Arthur D.; Ziller, Joseph W.; Zhang, Qiming","Relative and Absolute Configuration of Aloperine","Acta Crystallographica Section C","1997","53","10","1510","1512","10.1107/S0108270197009244","","","0.71073","MoKα","","0.055","0.0383","","0.1015","0.0931","","","","1.076","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006625","9.6442","0.0012","11.2487","0.0012","15.097","0.002","90","","90","","90","","1637.8","0.3","158","","158","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Aloperine dihydrochloride monohydrate","(6R,7R,9R,11S)‒16,17-Didehydro‒9‒de‒2‒piperidinylormosanine dihydrochloride monohydrate","","- C15 H28 Cl2 N2 O -","- C15 H28 Cl2 N2 O -","- C60 H112 Cl8 N8 O4 -","4","1","SX1032","Brosius, Arthur D.; Ziller, Joseph W.; Zhang, Qiming","Relative and Absolute Configuration of Aloperine","Acta Crystallographica Section C","1997","53","10","1510","1512","10.1107/S0108270197009244","","","0.71073","MoKα","","0.0371","0.0295","","0.0727","0.0693","","","","1.04","1.052","1.052","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006626","6.536","0.004","15.626","0.003","10.029","0.002","90","","90","","90","","1024.3","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","calcium yttrium silicate","tricalcium diyitrium trisilicon oxide","","- Ca3 O12 Si3 Y2 -","- Ca2.998 O12 Si3 Y1.998 -","- Ca11.992 O48 Si12 Y7.992 -","4","0.5","TA1145","Yamane, Hisanori; Nagasawa, Toru; Shimada, Masahiko; Endo, Tadashi","Ca~3~Y~2~(SiO~4~)~3~","Acta Crystallographica Section C","1997","53","10","1367","1369","10.1107/S0108270197005593","","","0.71069","MoKα","","0.0367","0.0347","","0.0998","0.098","","","","1.038","1.053","1.053","","","","","has coordinates","176435","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",""
"2006628","9.411","0.001","10.427","0.002","7.93","0.002","104.99","0.01","103.74","0.01","92.72","0.01","725.2","0.2","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","(3aα,10aα)11,11 Dibromo-6-methoxy-2,3,9,10-tetrahydro-1H,4H-3a,10a- methano[f]azulene'","","- C16 H16 Br2 O2 -","- C16 H16 Br2 O2 -","- C32 H32 Br4 O4 -","2","1","TA1166","Mackay, Maureen F.; Banwell, Martin G.; Phyland, James R.","A Benzannulated [5.3.1] Propellanone Related to the <i>ABC</i> Ring System of Taxol^TM^","Acta Crystallographica Section C","1997","53","10","1497","1499","10.1107/S0108270197007531","","","1.5418","CuKα","","0.0458","0.044","","0.137","0.1327","","","","1.081","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006629","6.474","0.001","11.393","0.001","11.862","0.003","66.16","0.02","89.2","0.04","84.92","0.02","796.9","0.3","295","1","295","1","","","","","","","","3","P -1","-P 1","2","cyclohexene-keto acid","4-(1-Hydroxy-1-phenylmethylene)-3-oxo-5-phenyl-5-cyclohexene carboxylic acid","","- C20 H16 O4 -","- C20 H16 O4 -","- C40 H32 O8 -","2","1","AB1478","Mrvoš-Sermek, Draginja; Tralić-Kulenović, Vesna; Lazarević, Zvjezdana","4-[Hydroxy(phenyl)methylene]-5-oxo-3-phenyl-2-cyclohexenecarboxylic Acid","Acta Crystallographica Section C","1997","53","11","1709","1711","10.1107/S0108270197005465","","","0.71073","MoKα","","0.1827","0.0479","","0.1434","0.0997","","","","0.925","1.105","1.105","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006630","7.567","0.011","9.297","0.013","12.281","0.014","72","0.08","80.21","0.08","81.04","0.08","804.8","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Ni(cdsalen)","methyl 2-{N-[2-(2-hydroyphenyl)methylidynenitrilo]ethyl}amino- 1-cyclopentenedithiocarboxilate of nickel(II)","","- C16 H18 N2 Ni O S2 -","- C16 H18 N2 Ni O S2 -","- C32 H36 N4 Ni2 O2 S4 -","2","1","AB1482","de Castro, Baltazar; Pereira, Eulalia; Gomes, Ligia","A Nickel Complex with an Asymmetric N~2~OS Schiff Base Ligand","Acta Crystallographica Section C","1997","53","11","1572","1574","10.1107/S0108270197009219","","","0.71069","MoKα","","0.132","0.0576","","0.2162","0.1415","","","","1.091","1.111","1.111","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006631","8.7507","0.0016","12.5722","0.0013","12.927","0.002","71.248","0.011","70.267","0.014","86.458","0.012","1265.9","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 N2 O3 Pd -","- C30 H22 N2 O3 Pd -","- C60 H44 N4 O6 Pd2 -","2","1","AV1007","Kooijman, Huub; Spek, Anthony L.; van Belzen, Ruud; Elsevier, Cornelis J.","{1,2-Bis[<i>N</i>-(4-methylphenyl)imino-<i>N</i>]acenaph-thene}(η^2^-maleic anhydride)palladium(0)","Acta Crystallographica Section C","1997","53","11","1593","1596","10.1107/S0108270197007865","","","0.71073","MoKα","","0.064","0.064","","0.144","0.144","","","","0.957","0.957","0.957","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006632","5.995","0.001","8.726","0.001","14.535","0.002","90","","90","","90","","760.36","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hygric acid","L-1-Methylproline","","- C6 H13 N O3 -","- C6 H13 N O3 -","- C24 H52 N4 O12 -","4","1","BK1308","Toscano, Rubén A.; Enríquez, Raúl G.; Reynolds, William F.; Magos, Gil A.; Gnecco, Dino","<small>L</small>-1-Methylproline Monohydrate","Acta Crystallographica Section C","1997","53","11","1690","1692","10.1107/S0108270197008706","","","0.71073","MoKα","","0.067","0.048","","0.119","0.108","","","","1.05","1.1","1.1","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006633","6.291","0.002","8.259","0.002","18.054","0.003","96.53","0.01","91.39","0.02","112.06","0.02","861.4","0.4","140","","140","","","","","","","","","2","P -1","-P 1","2","","E-2,2,5,5-Tetramethyl-3,4-diphenylhex-3-ene","","- C22 H28 -","- C22 H28 -","- C44 H56 -","2","1","BK1316","Gano, James E.; Kluwe, Constanze; Kirschbaum, Kristin; Pinkerton, A. Alan; Sekher, Padmanabhan; Skrzypczak-Jankun, Ewa; Subramaniam, Girija; Lenoir, Dieter","(<i>E</i>)-2,2,5,5-Tetramethyl-3,4-diphenylhex-3-ene, C~22~H~28~","Acta Crystallographica Section C","1997","53","11","1723","1725","10.1107/S0108270197007117","","","0.71073","MoKα","","0.068","0.049","","","0.066","","","","","2.5","2.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006634","8.2725","0.0007","13.273","0.001","9.5548","0.0007","90","","97.51","0.006","90","","1040.13","0.14","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-Nitroanilino)cyclopent-2-en-1-one","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C44 H40 N8 O12 -","4","1","BK1319","Huang, Kin-Shan; Stowell, Joseph G.; Byrn, Stephen R.","3-(4-Nitroanilino)-2-cyclopenten-1-one","Acta Crystallographica Section C","1997","53","11","1717","1719","10.1107/S0108270197007622","","","1.54184","CuKα","","","0.045","","","0.117","","","","","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006635","8.309","0.005","11.42","0.004","10.766","0.004","90","","95.5","0.4","90","","1016.9","1.1","148","","148","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dicarbonyl(η^5^-cyclopentadienyl)(η^1^-pyrrolyl)iron(II)","","- C11 H9 Fe N O2 -","- C11 H9 Fe N O2 -","- C44 H36 Fe4 N4 O8 -","4","1","BK1322","Powell, Madison; Bailey, Rosa D.; Eagle, Cassandra T.; Schimek, George L.; Hanks, T. W.; Pennington, William T.","Dicarbonyl(η^5^-cyclopentadienyl)(pyrrolyl-<i>N</i>)iron(II)","Acta Crystallographica Section C","1997","53","11","1611","1613","10.1107/S0108270197008718","","","0.71073","MoKα","","0.0592","0.032","","0.0418","0.0383","","","","","1.12","1.12","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2006636","10.031","0.002","10.547","0.002","14.861","0.003","90","","109.09","0.03","90","","1485.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tetraamine-cis-bis(5-nitrotetrazolato)cobalt(III) Perchlorate","tetraamine-cis-bis(5-nitro-2H-tetrazolato-N^2^)cobalt(III) perchlorate","","- C2 H12 Cl Co N14 O8 -","- C2 H12 Cl Co N14 O8 -","- C8 H48 Cl4 Co4 N56 O32 -","4","1","BK1330","Bruno Morosin; Roberto G. Dunn; Roger Assink; Thomas M. Massis; John Fronabarger; Eileen N. Duesler","The Secondary Explosive Tetraammine-<i>cis</i>-bis(5-nitro-2<i>H</i>-tetrazolato-<i>N</i>^2^)cobalt(III) Perchlorate at 293 and 213 K","Acta Crystallographica Section C","1997","53","11","1609","1611","10.1107/S0108270197007634","","","0.71073","MoKα","","0.057","0.05","","0.138","0.1333","","","","1.08","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006637","9.946","0.007","10.542","0.005","14.82","0.007","90","","108.68","0.04","90","","1472","1.5","213","2","213","5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tetraammine-cis-bis(5-nitrotetrazolato)cobalt(III) Perchlorate","tetraammine-cis-bis(5-nitro-2H-tetrazolato-N^2^)cobalt(III) perchlorate","","- C2 H12 Cl Co N14 O8 -","- C2 H12 Cl Co N14 O8 -","- C8 H48 Cl4 Co4 N56 O32 -","4","1","BK1330","Bruno Morosin; Roberto G. Dunn; Roger Assink; Thomas M. Massis; John Fronabarger; Eileen N. Duesler","The Secondary Explosive Tetraammine-<i>cis</i>-bis(5-nitro-2<i>H</i>-tetrazolato-<i>N</i>^2^)cobalt(III) Perchlorate at 293 and 213 K","Acta Crystallographica Section C","1997","53","11","1609","1611","10.1107/S0108270197007634","","","0.71073","MoKα","","0.052","0.041","","0.116","0.1093","","","","1.03","1.094","1.094","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006638","5.72","0.001","7.081","0.001","14.121","0.003","90","","101.06","0.03","90","","561.32","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cadmium thiosulfate, hydrate","","","- Cd H4 O5 S2 -","- Cd H4 O5 S2 -","- Cd4 H16 O20 S8 -","4","1","BK1331","Sergio Baggio; María I. Pardo; Ricardo Baggio; Oscar González","Cadmium Thiosulfate Dihydrate","Acta Crystallographica Section C","1997","53","11","1521","1523","10.1107/S0108270197006446","","","0.71073","MoKα","","0.032","0.03","","0.089","0.088","","","","1.23","1.253","1.253","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006639","8.5236","0.0008","8.9284","0.0007","9.9279","0.0008","90","","98.955","0.007","90","","746.32","0.11","150","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cu N6 O6 -","- C12 H16 Cu N6 O6 -","- C24 H32 Cu2 N12 O12 -","2","0.5","BM1138","Kooijman, Huub; Spek, Anthony L.; Daniëlle Rehorst; Driessen, Willem L.; Jan Reedijk","Bis(2-aminomethylpyridine-<i>N</i>,<i>N</i>')bis(nitrato-<i>O</i>)copper(II)","Acta Crystallographica Section C","1997","53","11","1596","1598","10.1107/S0108270197005118","","","0.71073","MoKα","","0.028","0.028","","0.078","0.078","","","","1.032","1.032","1.032","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006640","6.9518","0.0005","17.699","0.0013","13.5035","0.0011","90","","100.52","0.006","90","","1633.5","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Ni(tsalphen)]","[N,N'-Bis(2-thiobenzylidene)-1,2-phenylenediaminato]nickel(II)","","- C20 H14 N2 Ni S2 -","- C20 H14 N2 Ni S2 -","- C80 H56 N8 Ni4 S8 -","4","1","BM1141","Smeets, Wilberth J.J.; Spek, Anthony L.; Henderson, Richard K.; Bouwman, Elisabeth; Reedijk, Jan","[<i>N</i>,<i>N</i>'-Bis(2-thiobenzylidene)-1,2-phenylenediaminato]nickel(II)","Acta Crystallographica Section C","1997","53","11","1564","1566","10.1107/S0108270197009232","","","0.71073","MoKα","","0.038","0.029","","","","0.071","","","","","","1.066","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006641","11.056","0.004","8.34","0.002","15.5461","0.0012","90","","104.829","0.013","90","","1385.7","0.6","296","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N6 O2 -","- C13 H14 N6 O2 -","- C52 H56 N24 O8 -","4","1","BM1143","Helliwell, Madeleine; Dinsmore, Andrew; Garner, C. David; Joule, John A.","<i>N</i>-3-Allylation of 2-(<i>N</i>,<i>N</i>-Dimethylaminomethyleneamino)-6-formylpteridin-4-one","Acta Crystallographica Section C","1997","53","11","1667","1669","10.1107/S0108270197009116","","","0.71069","MoKα","","0.0746","0.05","","0.1472","0.1276","","","","1.045","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006642","12.4924","0.0002","9.8064","0.0002","30.4234","0.0003","90","","98.944","0.005","90","","3681.72","0.11","295","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 O3 Sn -","- C19 H22 O3 Sn -","- C152 H176 O24 Sn8 -","8","1","BM1153","Tahir, M. Nawaz; Ülkü, Dinçer; Ali, Saqib; Masood, Tariq; Danish, Mohammad; Mazhar, Mohammad","(Ketoprofenato)trimethyltin(IV)","Acta Crystallographica Section C","1997","53","11","1574","1576","10.1107/S0108270197007348","","","0.71073","MoKα","","","0.029","","","0.046","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006643","15.309","0.0007","10.553","0.0011","6.973","0.0014","90","","90","","90","","1126.5","0.3","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","1","BM1160","Lydon, Kevin M.; McKee, Vickie; McKervey, M. Anthony","3-Diazo-1-benzyloxycarbonylpyrrolidin-2-one","Acta Crystallographica Section C","1997","53","11","1675","1676","10.1107/S0108270197007877","","","0.71073","MoKα","","0.031","0.0269","","0.0715","0.0686","","","","1.121","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006644","8.9047","0.0007","9.6102","0.0013","12.9962","0.0015","110.332","0.012","104.167","0.008","97.458","0.008","982.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","9,10-dihydrophenanthrene","","","- C23 H19 Cl O4 -","- C23 H19 Cl O4 -","- C46 H38 Cl2 O8 -","2","1","","Sarkhel, Sanjay; Goel, Atul; Ram, Vishnu J.; Chaudhuri, Siddhartha; Maulik, Prakas R.","Unusual Substitution of -SCH~3~ by -OH in 9,10-Dihydrophenanthrene","Acta Crystallographica Section C","1997","","","1713","1714","10.1107/S010827019700869X","","","","","","","0.0646","","","0.2228","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006645","17.674","0.003","17.674","0.003","12.516","0.003","90","","90","","120","","3385.8","1.1","298","","","","","","","","","","","3","P 63","P 6c","173","","","","- Al14.4 Cr3.4 Ni1.1 -","- Al14.6873 Cr3.175 -","- Al176.248 Cr38.1 -","12","2","BR1150","Sato, A.; Yamamoto, A.; Li, X. Z.; Hiraga, K.; Haibach, T.; Steurer, W.","A New Hexagonal κ Phase of Al‒Cr‒Ni","Acta Crystallographica Section C","1997","53","11","1531","1533","10.1107/S0108270197003430","","","0.71073","MoKα","","","0.052","","","0.057","","","","","2.5","2.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006646","10.8883","0.0004","6.3877","0.0001","8.4404","0.0003","90","","112.448","0.002","90","","542.56","0.03","300","","300","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Tricaesiumhydrogendiselenide","","- Cs3 H O8 Se2 -","- Cs3 H O8 Se2 -","- Cs6 H2 O16 Se4 -","2","0.25","BR1168","Sonntag, Rainer; Melzer, Rolf; Wessels, Thomas; Radaelli, Pablo G.","Cs~3~H(SeO~4~)~2~ at 300K by High-Resolution Neutron Powder Diffraction","Acta Crystallographica Section C","1997","53","11","1529","1531","10.1107/S0108270197007749","","neutron","1.5946","neutron","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006647","11.9931","0.0001","11.9931","0.0001","11.9931","0.0001","90","","90","","90","","1725.02","0.02","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Hexasodium trizinc phosphate trihydrate","","- H6 Na6 O19 P4 Zn3 -","- H6 Na6 O19 P4 Zn3 -","- H24 Na24 O76 P16 Zn12 -","4","0.333333","BR1187","Xianhui Bu; Thurman E. Gier; William T. A. Harrison; Galen D. Stucky","A Cubic Hydrated Sodium Zinc Phosphate with a Tetrahedral-Triangular Framework Topology, Na~6~Zn~3~(PO~4~)~4~.3H~2~O","Acta Crystallographica Section C","1997","53","11","1517","1519","10.1107/S0108270197007889","","","0.71073","MoKα","","0.0209","0.0201","","0.0466","0.0463","","","","1.016","1.017","1.017","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006648","3.9241","0.0003","13.0404","0.0008","12.4181","0.0005","90","","92.21","0.01","90","","634.98","0.07","295","","295","","","","","","","","","5","P 1 n 1","","","","","","- C13 H12 Cl N O3 -","- C13 H12 Cl N O3 -","- C26 H24 Cl2 N2 O6 -","2","1","BS1020","Moreno-Fuquen, Rodolfo; Grajales-Tamayo, Mario; Gambardella, Maria Teresa do Prado","The 1:1 Complex Formed by 2-Picoline <i>N</i>-Oxide and 3-Chlorobenzoic Acid","Acta Crystallographica Section C","1997","53","11","1635","1637","10.1107/S0108270197007130","","","0.71073","MoKα","","0.0346","0.0293","","0.1175","0.1057","","","","1.067","1.006","1.006","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006649","9.156","0.003","9.509","0.002","8.701","0.002","99.41","0.02","116.03","0.02","73.95","0.02","653.4","0.3","293","2","293","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H46 Ru -","- C32 H32 Ru -","- C32 H32 Ru -","1","0.5","BS1021","Overby, Jason S.; Farrar, John M.; Hanusa, Timothy P.","Bis(η^5^-1,2,4-triisopropylcyclopentadienyl)ruthenium","Acta Crystallographica Section C","1997","53","11","1605","1606","10.1107/S0108270197007014","","","1.5418","CuKα","","","0.035","","","0.0462","","","","","2.046","2.046","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006650","10.016","0.004","9.185","0.004","9.105","0.004","102.68","0.04","116.9","0.05","84.62","0.03","728.8","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1,8a-dihydroazulene","1,1-dicyano-2-p-cyanophenyl-1,8a-dihydroazulene","","- C19 H11 N3 -","- C19 H11 N3 -","- C38 H22 N6 -","2","1","BS1031","Kaftory, Menahem; Botoshansky, Mark; Daub, Jörg; Christian Fischer; Alexander Bross","2-<i>p</i>-Cyanophenyl-1,8a-dihydroazulene-1,1-dicarbonitrile and Methyl 1-Cyano-2-<i>p</i>-cyanophenyl-1,8a-dihydroazulene-1-carboxylate","Acta Crystallographica Section C","1997","53","11","1665","1667","10.1107/S0108270197009499","","","0.71069","MoKα","","0.0738","0.0506","","0.1356","0.1201","","","","1.085","1.154","1.154","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006651","17.965","0.002","13.649","0.002","16.987","0.002","90","","129.514","0.005","90","","3213.4","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,8a-dihydroazulene","1-cyano,1-methoxycarbonyl-2-p-cyanophenyl-1,8a-dihydroazulene","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C160 H112 N16 O16 -","8","1","BS1031","Kaftory, Menahem; Botoshansky, Mark; Daub, Jörg; Christian Fischer; Alexander Bross","2-<i>p</i>-Cyanophenyl-1,8a-dihydroazulene-1,1-dicarbonitrile and Methyl 1-Cyano-2-<i>p</i>-cyanophenyl-1,8a-dihydroazulene-1-carboxylate","Acta Crystallographica Section C","1997","53","11","1665","1667","10.1107/S0108270197009499","","","1.54178","CuKα","","0.0607","0.0378","","0.1192","0.1112","","","","1.099","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006652","17.366","0.003","8.196","0.002","20.999","0.004","90","","90","","90","","2988.8","1.1","291","2","291","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C128 H144 N32 O16 -","8","1","BS1041","De-Chun Zhang; Zheng-Hao Fei; Tian-Zhu Zhang; Yan-Qiu Zhang; Kai-Bei Yu","2-Nitro-4'-(<i>N</i>,<i>N</i>-diethylamino)azobenzene, C~16~H~18~N~4~O~2~","Acta Crystallographica Section C","1997","53","11","1647","1648","10.1107/S0108270197009517","","","0.71073","MoKα","","0.0631","0.0334","","0.0751","0.0694","","","","0.875","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006653","8.704","0.001","9.116","0.001","12.968","0.002","84.69","0.01","76.63","0.01","80.35","","985.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1-Methyl-4-(2-(2-hydroxy phenyl)vinyl) pyridium 4-tolylsulfonate hydrate Dimer: C14 H14 O2 N2^2+^.(C7 H7 S O3^-^)2. 2(H2 O)","","- C42 H46 N2 O10 S2 -","- C42 H46 N2 O10 S2 -","- C42 H46 N2 O10 S2 -","1","0.5","CF1158","Zhang, De-Chun; Zhang, Tian-Zhu; Zhang, Yan-Qiu; Fei, Zheng-Hao; Yu, Kai-bei","The Hydrated Tosylate of Dimeric 2'-Hydroxy-4-<i>N</i>-methylstilbazolium","Acta Crystallographica Section C","1997","53","11","1649","1650","10.1107/S0108270197008469","","","0.71073","MoKα","","0.0557","0.0378","","0.1124","0.0975","","","","0.981","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006654","8.612","0.002","11.658","0.003","11.914","0.002","79.72","0.02","85.97","0.02","76.73","0.02","1145","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,6-Diamino-9-(carboxymethyl)purine Ethyl Ester","","- C9 H13 N6 O2.5 -","- C9 H13 N6 O2.5 -","- C36 H52 N24 O10 -","4","2","CF1160","Sood, Geeta; Schwalbe, Carl H.; Fraser, William","2,6-Diamino-9-(carboxymethyl)purine Ethyl Ester","Acta Crystallographica Section C","1997","53","11","1624","1626","10.1107/S0108270197006598","","","1.54178","CuKα","","0.0452","0.0428","","0.1428","0.1192","","","","1.096","1.114","1.114","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006655","7.7208","0.0009","7.7501","0.0009","9.0531","0.001","90","","94.818","0.01","90","","539.8","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(+)-Camphorsulfonimine","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","CF1189","Arindam Chakraborty; Jayanta Kumar Ray; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","(+)-Camphorsulfonylimine","Acta Crystallographica Section C","1997","53","11","1725","1726","10.1107/S010827019701144X","","","0.71073","MoKα","","0.0569","0.0397","","0.0949","0.0895","","","","0.905","0.997","0.997","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006656","6.892","0.003","19.706","0.005","11.842","0.002","90","","94.24","0.02","90","","1603.9","0.9","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bis(acetonitrile)tetrakis(N,N-dimethylacetamide)nickel(II) tetrafluoroborate","","- C20 H42 B2 F8 N6 Ni O4 -","- C20 H42 B2 F8 N6 Ni O4 -","- C40 H84 B4 F16 N12 Ni2 O8 -","2","0.5","DE1060","Suzuki, Honoh; Ishiguro, Shin-ichi","Steric Hindrance in a Mixed Solvated Nickel(II) Complex: Bis(acetonitrile-<i>N</i>)tetrakis(<i>N</i>,<i>N</i>-dimethylacetamide-<i>O</i>)nickel(II) Bis(tetrafluoroborate)","Acta Crystallographica Section C","1997","53","11","1602","1605","10.1107/S0108270197009463","","","0.71073","MoKα","","0.0984","0.0614","","0.1825","0.1453","","","","1.152","1.116","1.116","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006657","9.072","0.002","26.855","0.008","8.135","0.002","97.419","0.006","110.8","0.02","83.564","0.013","1832.5","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","n-butyl alpha-cyano-4-[2-(4-pyridyl)ethenyl]cinnamate","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","2","DE1061","Ohhara, Takashi; Hidehiro Uekusa; Yuji Ohashi; Shigehito Kondo; Masaki Hasegawa","<i>n</i>-Butyl α-Cyano-4-[2-(4-pyridyl)ethenyl]cinnamate","Acta Crystallographica Section C","1997","53","11","1692","1694","10.1107/S0108270197009475","","","0.7107","MoKα","","0.1211","0.0506","","0.156","0.1133","","","","1","1.111","1.111","","","","","has coordinates,has disorder","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",""
"2006659","9.4881","0.001","10.3231","0.0011","16.3226","0.0011","90","","90.423","0.006","90","","1598.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H50 Ga2 N8 O20 P4 -","- C12 H42 Ga2 N8 O20 P4 -","- C24 H84 Ga4 N16 O40 P8 -","2","0.5","DU1179","Serpaggi, Fabien; Loiseau, Thierry; Férey, Gérard","A New Gallium Phosphate Templated by Tris(2-aminoethyl)amine: [Ga(HPO~4~)(PO~4~)(OH)].[(C~2~H~7~ N)~3~N].H~2~O","Acta Crystallographica Section C","1997","53","11","1568","1570","10.1107/S0108270197006458","","","0.71069","MoKα","","0.078","0.042","","0.133","0.12","","","","0.955","1.056","1.056","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2006660","11.667","0.002","7.182","0.004","14.337","0.003","90","","97.61","0.02","90","","1190.8","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(25R)-5β-hydroxy-spirost-2-en-6-one","","- C27 H40 O4 -","- C27 H40 O4 -","- C54 H80 O8 -","2","1","FG1242","Angel Dago Morales; Ramón Pomés Hernández; Francisco Coll Manchado; María Teresa Hechavarría Fonseca; Graciela Punte; Gustavo Echeverría","(25<i>R</i>)-5β-Hydroxyspirost-2-en-6-one","Acta Crystallographica Section C","1997","53","11","1705","1706","10.1107/S0108270197006501","","","0.71069","MoKα","","0.2286","0.0703","","0.3332","0.1754","","","","0.986","0.901","0.901","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006661","6.393","0.002","7.433","0.001","21.067","0.003","90","","90.97","0.02","90","","1000.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trans-Dichlorocyclamcobalt(III) chloride, tetrahydrate, 0.47(HCl)","trans-Dichloro-(1,4,8,11-tetraazacyclotetradecane)cobalt(III) chloride, tetrahydrate, 0.47 HCl","","- C10 H32.47 Cl3.47 Co N4 O4 -","- C10 H32.44 Cl3.468 Co N4 O4 -","- C20 H64.88 Cl6.936 Co2 N8 O8 -","2","0.5","FG1254","Sosa-Torres, Martha E.; Toscano, Rubén A.","<i>trans</i>-Dichloro(1,4,8,11-tetrazacyclotetradecane)cobalt(III) Chloride Tetrahydrate 0.47-Hydrochloride","Acta Crystallographica Section C","1997","53","11","1585","1588","10.1107/S0108270197007440","","","0.71069","MoKα","","0.0586","0.0413","","0.1101","0.0948","","","","1.072","1.098","1.098","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006662","9.724","0.001","11.055","0.001","16.361","0.002","79.79","0.01","79.19","0.01","73.7","0.01","1643.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 Cl2 N10 Ni -","- C32 H30 Cl2 N10 Ni -","- C64 H60 Cl4 N20 Ni2 -","2","1","FG1270","Thangarasu, Pandiyan; Bernès, Sylvain; Durán de Bazúa, Carmen","Bis[bis(benzimidazol-2-ylmethyl-<i>N</i>^3^)amine-<i>N</i>]nickel(II) Dichloride","Acta Crystallographica Section C","1997","53","11","1607","1609","10.1107/S0108270197006513","","","0.71073","MoKα","","0.1083","0.0547","","0.1305","0.1042","","","","1.072","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006663","23.756","0.002","6.9151","0.0005","28.381","0.002","90","","95.457","0.006","90","","4641.2","0.6","293","","293","","","","","","","","","3","A 1 2/a 1","-A 2ya","15","","","","- C24 H32 O7 -","- C24 H32 O7 -","- C192 H256 O56 -","8","1","FG1287","Drouin, Marc; Couturier, Michel; Pierre Deslongchamps","Diastereoselectivity in the Transannular Diels‒Alder Reaction of a <i>trans</i>-<i>trans</i>-<i>trans</i> 14-Membered Macrocycle Leading to Steroids","Acta Crystallographica Section C","1997","53","11","1698","1701","10.1107/S0108270197009578","","","1.54184","CopperKα","","0.096","0.06","","0.1764","0.1571","","","","1.071","1.255","1.255","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006664","7.278","0.004","12.199","0.002","24.494","0.007","90","","91.89","0.03","90","","2173.5","1.4","293","2","193","","","","","","","","","3","P 1 21 1","P 2yb","4","","rac-3,3-bis(carbomethoxy)-18-methoxy-18-oxo-5β,9β,10α-androst-6-en-17-one","","- C24 H32 O7 -","- C24 H32 O7 -","- C96 H128 O28 -","4","2","FG1287","Drouin, Marc; Couturier, Michel; Pierre Deslongchamps","Diastereoselectivity in the Transannular Diels‒Alder Reaction of a <i>trans</i>-<i>trans</i>-<i>trans</i> 14-Membered Macrocycle Leading to Steroids","Acta Crystallographica Section C","1997","53","11","1698","1701","10.1107/S0108270197009578","","","1.54184","CopperKα","","0.0626","0.0599","","0.179","0.1749","","","","1.062","1.068","1.068","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006665","10.158","0.0002","10.158","0.0002","39.7543","0.0005","90","","90","","90","","4102.05","0.13","180","","180","","","","","","","","","6","P 41","P 4w","76","","","","- C48 H44 B F4 P2 Rh -","- C48 H44 B F4 P2 Rh -","- C192 H176 B4 F16 P8 Rh4 -","4","1","FG1294","Fu, Tai Y.; Liu, Zhaoqing; Rettig, Steven J.; Scheffer, John R.; Trotter, James","[(1,2,5,6-η)-1,5-Cyclooctadiene][(11<i>R</i>,12<i>R</i>)-9,10-dihydro-9,10-ethanoanthracene-11,12-bis(diphenylphosphino-<i>P</i>)]rhodium(I) Tetrafluoroborate","Acta Crystallographica Section C","1997","53","11","1577","1579","10.1107/S0108270197005271","","","0.7107","MoKα","","0.08","0.043","","0.086","","0.086","","","2.51","","","2.51","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006666","13.6819","0.0009","7.2379","0.0003","14.0407","0.0007","90","","111","0.01","90","","1298.07","0.15","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","FG1302","Moreno-Fuquen, Rodolfo; De Almeida Santos, Regina Helena; Gambardella, Maria Teresa do Prado","The 1:1 Complex Formed by 3-Picoline <i>N</i>-Oxide and <i>p</i>-Toluic Acid","Acta Crystallographica Section C","1997","53","11","1634","1635","10.1107/S0108270197007890","","","0.71073","MoKα","","0.0761","0.046","","0.1688","0.1324","","","","1.121","1.067","1.067","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006667","5.1318","0.0002","6.9156","0.0003","14.9166","0.0006","83.3087","0.0014","88.388","0.002","71.835","0.002","499.55","0.04","293","2","293","2","","","","","","","","4","P 1","P 1","1","Pseudouridine","2,4(1H,3H)-Pyrimidinedione,5-β-D-ribofuranosyl","","- C9 H12 N2 O6 -","- C9 H12 N2 O6 -","- C18 H24 N4 O12 -","2","2","FG1303","Hempel, Andrew; Lane, Byron G.; Camerman, Norman","Pseudouridine","Acta Crystallographica Section C","1997","53","11","1707","1709","10.1107/S0108270197009323","","","0.71013","MoKα","","0.2477","0.0918","","0.2851","0.1898","","","","0.927","1.044","1.044","","","","","has coordinates","201955","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",""
"2006669","5.1928","0.0005","20.405","0.002","29.517","0.003","90","","90","","90","","3127.6","0.5","183","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,6-Dibenzoyl-1,4-benzoquinone","","- C20 H12 O4 -","- C20 H12 O4 -","- C160 H96 O32 -","8","1","FG1318","Kumar Biradha; Michael J. Zaworotko; Ashwini Nangia; Gautam R. Desiraju","2,6-Dibenzoyl-1,4-benzoquinone","Acta Crystallographica Section C","1997","53","11","1653","1655","10.1107/S0108270197007579","","","0.71073","MoKα","","0.1025","0.0517","","0.1448","","0.1448","","","1.04","1.023","1.023","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006670","8.0485","0.0009","14.301","0.002","13.2703","0.0014","90","","91.769","0.007","90","","1526.7","0.3","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3aR*,4S*,5S*,7aR*)-4-nitrobenzoic acid 5-methyl-1,3,3,4,5,7a-hexahydroisobenzofuran-4-yl ester","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C64 H68 N4 O20 -","4","1","FG1329","Batey, Robert A.; Lin, Denny; Lough, Alan J.","(3a<i>R</i>*,4<i>S</i>*,5<i>S</i>*,7a<i>R</i>*)-4-Nitrobenzoic Acid 5-Methyl-1,3,3a,4,5,7a-hexahydroisobenzofuran-4-yl Ester","Acta Crystallographica Section C","1997","53","11","1721","1723","10.1107/S0108270197007026","","","0.71073","MoKα","","0.0607","0.0433","","0.1288","0.1212","","","","1.045","1.165","1.165","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006671","16.889","0.001","9.2407","0.0005","6.2644","0.0006","90","","90","","90","","977.66","0.12","296","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","cyclohexanespiro-5'-hydantoin monohydrate","","- C8 H14 N2 O3 -","- C8 H14 N2 O3 -","- C32 H56 N8 O12 -","4","1","FG1332","Gauthier, Ted J.; Yokum, T. Scott; Morales, Guillermo A.; McLaughlin, Mark L.; Liu, Yen-Hsiang; Fronczek, Frank R.","Two Cyclohexanespiro-5'-hydantoin Monohydrates","Acta Crystallographica Section C","1997","53","11","1659","1661","10.1107/S0108270197007488","","","1.54184","CuKα","","","0.038","","","0.039","","","","","1.466","1.466","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006672","11.991","0.001","8.3535","0.0007","15.159","0.001","90","","94.731","0.008","90","","1513.3","0.2","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-Indolyl)cyclohexanespiro-5'-hydantoin","","- C16 H19 N3 O3 -","- C16 H19 N3 O3 -","- C64 H76 N12 O12 -","4","1","FG1332","Gauthier, Ted J.; Yokum, T. Scott; Morales, Guillermo A.; McLaughlin, Mark L.; Liu, Yen-Hsiang; Fronczek, Frank R.","Two Cyclohexanespiro-5'-hydantoin Monohydrates","Acta Crystallographica Section C","1997","53","11","1659","1661","10.1107/S0108270197007488","","","1.54184","CuKα","","","0.054","","","0.088","","","","","1.533","1.533","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006673","9.8918","0.001","11.6789","0.0012","12.6536","0.0012","90","","95.819","0.008","90","","1454.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzylselenolato(η^5^-cyclopentadienyl)(tricarbonyl)molybdenum(II)","","- C15 H12 Mo O3 Se -","- C15 H12 Mo O3 Se -","- C60 H48 Mo4 O12 Se4 -","4","1","FG1338","Thöne, Carsten; Jones, Peter G.; Laube, Jörg","Organometallic Selenolates. VII. (Benzylselenolato-<i>Se</i>)tricarbonyl(η^5^-cyclopentadienyl)molybdenum(II) and Bis[1,2(η^5^)-cyclopentadienyl]-di-μ-ethylselenolato-di-μ-selenido-dimolybdenum(IV)(<i>Mo</i>—<i>Mo</i>)","Acta Crystallographica Section C","1997","53","11","1539","1542","10.1107/S0108270197007592","","","0.71073","MoKα","","0.0261","0.019","","0.0415","0.0404","","","","0.976","1.036","1.036","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006674","8.4036","0.0015","15.376","0.003","6.9712","0.0012","90","","99.092","0.008","90","","889.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[(η^5^-cyclopentadienyl)(μ-selenido)(μ-ethylselenolato)]- dimolybdenum(IV)(Mo=Mo)","","- C14 H20 Mo2 Se4 -","- C14 H20 Mo2 Se4 -","- C28 H40 Mo4 Se8 -","2","0.5","FG1338","Thöne, Carsten; Jones, Peter G.; Laube, Jörg","Organometallic Selenolates. VII. (Benzylselenolato-<i>Se</i>)tricarbonyl(η^5^-cyclopentadienyl)molybdenum(II) and Bis[1,2(η^5^)-cyclopentadienyl]-di-μ-ethylselenolato-di-μ-selenido-dimolybdenum(IV)(<i>Mo</i>—<i>Mo</i>)","Acta Crystallographica Section C","1997","53","11","1539","1542","10.1107/S0108270197007592","","","0.71073","MoKα","","0.0207","0.0192","","0.047","0.0461","","","","1.093","1.102","1.102","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006675","12.702","0.003","14.653","0.003","17.715","0.002","88.722","0.012","77.38","0.02","66.64","0.02","2946.1","1.1","293","","","","","","","","","","","4","P -1","-P 1","2","","5,11,17,23-Tetra-tert-butyl-25, 27-bis[2-(p-nitrobenzalamino)ethoxy]-26,28-dihydroxycalix[4]arene","","- C62 H72 N4 O8 -","- C62 H72 N4 O8 -","- C124 H144 N8 O16 -","2","1","","Zhang, Wen-Chun; Chen, Xue-An; Zhao, Ling; Huang, Zhi-Tang","5,11,17,23-Tetra-tert-butyl-26,28-dihydroxy-25,27-bis[2-(p-nitrobenzylidene-amino)ethoxy]calix[4]arene","Acta Crystallographica Section C","1997","53","11","1644","1647","10.1107/S010827019700961X","","","0.71073","MoKα","","","0.0626","","0.1862","0.1527","","","","0.852","1.146","1.146","","","","","has coordinates,has disorder","175018","2020-10-21","18:00:00",""
"2006676","9.1708","0.0014","10.696","0.0003","7.4317","0.0015","92.08","0.02","107.8","0.01","92.57","0.02","692.43","0.18","296","","296","","","","","","","","","3","P -1","-P 1","2","","cis-3,5a-Dimethyl-6-formyloxy-1H-5a,6,7,8,9-pentahydro-1- oxopyrano[4,3-b][1]benzopyran","","- C15 H16 O5 -","- C15 H16 O5 -","- C30 H32 O10 -","2","1","FG1343","Robinson, Paul D.; Hua, Duy H.; Chen, Yi; Meyers, Cal Y.","<i>cis</i>-3,5a-Dimethyl-1-oxo-5a,6,8,9-tetrahydro-1<i>H</i>,7<i>H</i>-pyrano[4,3-<i>b</i>][1]benzopyran-6-yl Formate","Acta Crystallographica Section C","1997","53","11","1642","1644","10.1107/S0108270197008603","","","0.71069","MoKα","","0.0701","0.0382","","0.1209","","0.1027","","","1.031","1.093","1.093","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006677","8.3369","0.001","9.506","0.0012","29.565","0.003","90","","90","","90","","2343","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-Benzyldi(methanesulfonyl)amine","","- C9 H13 N O4 S2 -","- C9 H13 N O4 S2 -","- C72 H104 N8 O32 S16 -","8","2","FG1348","Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. LXXXIX. <i>N</i>,<i>N</i>-Bis(methylsulfonyl)benzylamine","Acta Crystallographica Section C","1997","53","11","1669","1671","10.1107/S0108270197009177","","","0.71073","MoKα","","0.0386","0.0315","","0.0769","0.0745","","","","1.046","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006678","9.368","0.002","10.627","0.002","12.219","0.002","76.67","0.03","73.94","0.03","66.93","0.03","1065.2","0.4","298","","298","","","","","","","","","6","P -1","-P 1","2","","Bis(N, N'-di-2-pyridyl ketone oximato)chlorogold(III) hydrate","","- C22 H18 Au Cl N6 O3 -","- C22 H18 Au Cl N6 O3 -","- C44 H36 Au2 Cl2 N12 O6 -","2","1","FR1030","Sommerer, Shaun O.; MacBeth, Cora E.; Jircitano, Alan J.; Abboud, Khalil A.","Chlorobis(<i>N</i>,<i>N</i>'-di-2-pyridyl ketone oximato)gold(III) Hydrate","Acta Crystallographica Section C","1997","53","11","1551","1553","10.1107/S0108270197008925","","","0.71073","MoKα","","0.0337","0.0271","","0.0605","0.0579","","","","1.066","1.085","1.085","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006679","13.8946","0.0008","16.513","0.0001","6.4276","0.0004","90","","90","","90","","1474.76","0.13","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","N,N'-(dimethylthiourea)gold(I) perchlorate","","- C6 H16 Au Cl N4 O4 S2 -","- C6 H16 Au Cl N4 O4 S2 -","- C24 H64 Au4 Cl4 N16 O16 S8 -","4","0.5","FR1036","Richard J. Staples; John P. Fackler Jr; Juan Costamagna","Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)gold(I) Perchlorate and Bis(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)gold(I) Perchlorate","Acta Crystallographica Section C","1997","53","11","1555","1558","10.1107/S0108270197008317","","","0.71073","MoKα","","0.0325","0.0324","","0.1097","0.1096","","","","1.252","1.255","1.255","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006680","7.278","0.001","12.127","0.003","21.118","0.006","90","","90","","90","","1863.9","0.7","193","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis(diethylthiourea)gold(I) percholorate","","- C10 H24 Au Cl N4 O4 S2 -","- C10 H24 Au Cl N4 O4 S2 -","- C40 H96 Au4 Cl4 N16 O16 S8 -","4","1","FR1036","Richard J. Staples; John P. Fackler Jr; Juan Costamagna","Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)gold(I) Perchlorate and Bis(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)gold(I) Perchlorate","Acta Crystallographica Section C","1997","53","11","1555","1558","10.1107/S0108270197008317","","","0.71073","MoKα","","0.1383","0.0915","","0.1714","0.1505","","","","1.116","1.196","1.196","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006681","7.698","0.002","16.647","0.002","15.3084","0.0015","90","","102.271","0.012","90","","1916.9","0.6","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cyanobis(tricyclohexyl)phosphino)gold(I)","","- C19 H33 Au N P -","- C19 H33 Au N P -","- C76 H132 Au4 N4 P4 -","4","1","FR1044","Al-Arfaj, A.R.; Reibenspies, J.H.; Hussain, M. Sakhawat; Darensbourg, M.Y.; Akhtar, N.; Isab, A.A.","Cyano[tri(cyclohexyl)phosphino]gold(I), [Au(CN){(C~6~H~11~)~3~P}]","Acta Crystallographica Section C","1997","53","11","1553","1555","10.1107/S0108270197008937","","","0.71073","MoKα","","0.0834","0.0472","","0.1085","0.0944","","","","1.018","1.069","1.069","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006682","22.94","0.007","13.611","0.005","25.178","0.007","90","","116","0.01","90","","7066","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Tris(2,2'-Bipyridyl)-zinc(ii) thiosulfate, heptahydrate","","","- C30 H38 N6 O10 S2 Zn -","- C30 H36.68 N6 O9.34 S2 Zn -","- C240 H293.44 N48 O74.72 S16 Zn8 -","8","1","HA1190","Baggio, Sergio; Pardo, Maria I.; Baggio, Ricardo; Garland, Maria Teresa","Tris(2,2'-bipyridyl-<i>N</i>,<i>N</i>')zinc(II) Thiosulfate Heptahydrate","Acta Crystallographica Section C","1997","53","11","1570","1572","10.1107/S0108270197008615","","","0.71073","MoKα","","0.092","0.069","","0.204","0.144","","","","1.328","1.284","1.284","","","","","has coordinates,has disorder","203567","2020-10-21","18:00:00",""
"2006683","6.681","0.003","8.362","0.001","16.707","0.002","90","","97.01","0.05","90","","926.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(o-Carboxyphenyl)-1- methyltriazene 1- oxide","3-(o-Carboxyphenyl)-1- methyltriazene 1- oxide","","- C8 H9 N3 O3 -","- C8 H9 N3 O3 -","- C32 H36 N12 O12 -","4","1","HA1193","Chitra Samanta; Sailesh C. Saha; Alok Kumar Mukherjee","3-(<i>o</i>-Carboxyphenyl)-1-methyltriazene 1-Oxide","Acta Crystallographica Section C","1997","53","11","1657","1658","10.1107/S0108270197006537","","","0.71073","MoKα","","0.0466","0.039","","0.1127","0.109","","","","1.042","1.123","1.123","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006684","11.192","0.002","9.96","0.001","18.282","0.002","90.33","0.03","97.03","0.02","90.19","0.02","2022.6","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Diantimony - molybdenum - hexaoxide","","- Mo O6 Sb2 -","- Mo O6 Sb2 -","- Mo16 O96 Sb32 -","16","8","JZ1184","Castro, Alicia; Enjalbert, Renée; Galy, Jean","Sb~2~MoO~6~, a Re-examination","Acta Crystallographica Section C","1997","53","11","1526","1529","10.1107/S0108270197006239","","","0.71069","MoKα","","0.0502","0.0298","","0.1067","0.0967","","","","1.01","1.614","1.614","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006685","12.381","0.01","9.185","0.005","9.221","0.005","90","","90","","90","","1048.6","1.2","293","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Ni10 Zr7 -","- Ni10 Zr7 -","- Ni40 Zr28 -","4","","JZ1204","Joubert, Jean-Marc; Černý, R.; Yvon, K.; Latroche, M.; Percheron-Guégan, A.","Zirconium‒Nickel, Zr~7~Ni~10~: Space Group Revision for the Stoichiometric Phase","Acta Crystallographica Section C","1997","53","11","1536","1538","10.1107/S0108270197007142","","","0.71073","MoKα","","","0.0605","","","","0.0376","","","","","","1.2892","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006686","7.712","0.001","11.52","0.001","12.721","0.001","90","","94.86","0.01","90","","1126.1","0.2","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-2-Buten-1-yl-(S)-N-(2'-methoxy-[1,1']binaphthalenyl-2-yl)propanimidate","","- C28 H27 N O2 -","- C28 H27 N O2 -","- C56 H54 N2 O4 -","2","1","JZ1211","Fröhlich, Roland; Hungerhoff, Benno; Metz, Peter","(<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-[1,1']binaphthalen-2-yl)propanimidate and (<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-3-methyl-[1,1']binaphthalen-2-yl)propanimidate","Acta Crystallographica Section C","1997","53","11","1655","1657","10.1107/S0108270197006756","","","1.54178","CuKα","","0.0398","0.0364","","0.1093","0.1054","","","","1.049","1.044","1.044","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006687","7.786","0.001","17.431","0.001","8.749","0.001","90","","98.24","0.01","90","","1175.1","0.2","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-2-Buten-1-yl-(S)-N-(2'-methoxy-3-methyl-[1,1']binaphthalenyl-2-yl)- propanimidate","","- C29 H29 N O2 -","- C29 H29 N O2 -","- C58 H58 N2 O4 -","2","1","JZ1211","Fröhlich, Roland; Hungerhoff, Benno; Metz, Peter","(<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-[1,1']binaphthalen-2-yl)propanimidate and (<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-3-methyl-[1,1']binaphthalen-2-yl)propanimidate","Acta Crystallographica Section C","1997","53","11","1655","1657","10.1107/S0108270197006756","","","1.54178","CuKα","","0.0325","0.0314","","0.095","0.0904","","","","1.066","1.069","1.069","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006688","11.0647","0.0005","11.52","0.0004","9.6867","0.0004","90","","103.199","0.004","90","","1202.1","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Imidazole) (N-salicylideneglycinato)-Copper(II) Polymer","","- C12 H11 Cu N3 O3 -","- C12 H11 Cu N3 O3 -","- C48 H44 Cu4 N12 O12 -","4","1","JZ1215","Warda, Salam A.","The Chain Polymers (Imidazole)(<i>N</i>-salicylideneglycinato)copper(II) and (2-Ethylimidazole)(<i>N</i>-salicylideneglycinato)copper(II)","Acta Crystallographica Section C","1997","53","11","1590","1593","10.1107/S0108270197008056","","","1.54178","CuKα","","0.0465","0.0419","","0.1189","0.1143","","","","1.053","1.069","1.069","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006689","11.2152","0.0005","9.3864","0.0005","26.2788","0.0009","90","","90","","90","","2766.4","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2-Ethylimidazole) (N-salicylideneglycinato)-Copper(II) Polymer","","- C14 H15 Cu N3 O3 -","- C14 H15 Cu N3 O3 -","- C112 H120 Cu8 N24 O24 -","8","1","JZ1215","Warda, Salam A.","The Chain Polymers (Imidazole)(<i>N</i>-salicylideneglycinato)copper(II) and (2-Ethylimidazole)(<i>N</i>-salicylideneglycinato)copper(II)","Acta Crystallographica Section C","1997","53","11","1590","1593","10.1107/S0108270197008056","","","1.54178","CuKα","","0.0498","0.0368","","0.1067","0.0996","","","","1.031","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006690","9.1844","0.0004","16.9279","0.0007","9.3097","0.0004","90","","94.489","0.006","90","","1442.96","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Imidazole) (N-Salicylidene-α-aminoisobutyrato)-Copper(II) Dimer","","- C14 H15 Cu N3 O3 -","- C14 H15 Cu N3 O3 -","- C56 H60 Cu4 N12 O12 -","4","1","JZ1216","Warda, Salam A.","(Imidazole-<i>N</i>^3^)(<i>N</i>-salicylidene-α-aminoisobutyrato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II) Dimer","Acta Crystallographica Section C","1997","53","11","1588","1590","10.1107/S0108270197008275","","","1.54178","CuKα","","0.035","0.0338","","0.0932","0.0924","","","","1.087","1.098","1.098","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006691","9.2511","0.001","13.513","0.003","6.1542","0.0003","90","","90","","90","","769.34","0.19","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","6-Nitrophthalide","1,3-Dihydro-6-nitrobenzo[c]furan-1-one","","- C8 H5 N O4 -","- C8 H5 N O4 -","- C32 H20 N4 O16 -","4","1","JZ1219","Bradley, Richard F.; Schwalbe, Carl H.; Ross, Kenneth C.; Fraser, William; Freeman, Sally","6-Nitrophthalide","Acta Crystallographica Section C","1997","53","11","1626","1628","10.1107/S0108270197008494","","","1.54178","CuKα","","0.0376","0.0361","","0.0993","0.0968","","","","1.072","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006692","34.05","0.005","11.3","0.003","8.347","0.002","90","","90","","90","","3211.6","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(4-chlorophenyl)-2-(N-acetylthiocarbamato)-ethanoic acid acetonitrile (1:1)","","- C13 H13 Cl N2 O4 S -","- C13 H13 Cl N2 O4 S -","- C104 H104 Cl8 N16 O32 S8 -","8","1","JZ1220","Leban, Ivan; Majcen Le Maréchal, Alenka; Robert, Albert","2-(4-Chlorophenyl)-2-(<i>N</i>-acetylcarbamoylthio)ethanoic Acid‒Acetonitrile (1/1)","Acta Crystallographica Section C","1997","53","11","1677","1679","10.1107/S0108270197008627","","","0.71073","MoKα","","0.0973","0.049","","0.122","0.0976","","","","1.038","1.124","1.124","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006693","13.603","0.001","8.383","0.001","12.198","0.001","90","","97.66","0.01","90","","1378.6","0.2","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis-(4-benzylpiperidinium) Tetrachloromercurate","","- C24 H36 Cl4 Hg N2 -","- C24 H36 Cl4 Hg N2 -","- C48 H72 Cl8 Hg2 N4 -","2","1","JZ1221","Spengler, Roland; Zouari, Fatma; Ben Salah, Abdelhamid; Burzlaff, Hans","Bis(4-benzylpiperidinium) Tetrachloromercurate","Acta Crystallographica Section C","1997","53","11","1566","1568","10.1107/S0108270197008500","","","0.7107","MoKα","","0.047","0.04","","0.042","","0.04","","","1.42","","","1.45","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006694","10.1144","0.0009","13.4212","0.0011","30.576","0.003","90","","98.919","0.009","90","","4100.4","0.6","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1,3-Tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butane‒ hexamethylenetetramine (1/1).","","- C43 H64 N4 O3 -","- C43 H64 N4 O3 -","- C172 H256 N16 O12 -","4","1","JZ1228","Meehan, Paul R.; Gregson, Richard M.; Glidewell, Christopher; Ferguson, George","Steric Inhibition of Molecular Weaving: Non-Woven Nets of <i>R</i>^6^~6~(40) and <i>R</i>^6^~6~(60) Rings in 1,1,3-Tris(2-methyl-4-hydroxy-5-<i>tert</i>-butylphenyl)butane‒Hexamethylenetetramine (1/1)","Acta Crystallographica Section C","1997","53","11","1637","1640","10.1107/S0108270197009293","","","0.7107","MolybdenumKα","","0.2502","0.0622","","0.1374","","0.106","","","0.815","","","1.229","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006695","8.39","0.0009","13.27","0.002","23.258","0.0015","90","","90","","90","","2589.4","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dimethyl N,N-(Endo-himmoyl)-(R,R)-cysteine","Dimethyl N,N-(Endo-himmoyl)-(R,R)-cysteine","","- C26 H28 N2 O8 S2 -","- C26 H28 N2 O8 S2 -","- C104 H112 N8 O32 S8 -","4","1","KA1223","Hibbs, David E.; Hursthouse, Michael B.; Malik, K. M. Abdul; North, Michael","Dimethyl <i>N</i>,<i>N</i>'-Bis(<i>endo</i>-himmoyl)-(<i>R</i>,<i>R</i>)-cystine","Acta Crystallographica Section C","1997","53","11","1701","1703","10.1107/S0108270197007154","","","0.71069","MoKα","","0.0875","0.0725","","0.1939","0.1851","","","","1.088","1.199","1.199","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006696","8.352","0.001","10.664","0.001","12.65","0.001","90","","90","","90","","1126.68","0.19","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H5 N O S -","- C5 H5 N O S -","- C40 H40 N8 O8 S8 -","8","1","KA1236","Hartung, Jens; Svoboda, Ingrid; Duarte, Maria Teresa","Hydrogen Bonding in 1-Hydroxy-4(1<i>H</i>)-pyridinethione","Acta Crystallographica Section C","1997","53","11","1631","1634","10.1107/S0108270197008834","","","0.71093","MoKα","","0.0414","0.0294","","0.0744","0.0679","","","","1.083","1.115","1.115","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006697","14.486","0.002","11.1562","0.0007","6.373","0.002","90","","90","","90","","1029.9","0.4","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C44 H60 N4 O8 -","4","1","KA1240","Hartung, Jens; Svoboda, Ingrid; Fuess, Hartmut; Duarte, Maria Teresa","Lone-Pair Repulsion in Cyclic Hydroxamic Acid <i>O</i>-Esters: <i>N</i>-Cyclohexyloxy-2(1<i>H</i>)-pyridone","Acta Crystallographica Section C","1997","53","11","1629","1631","10.1107/S0108270197008846","","","0.71093","MoKα","","0.0434","0.038","","0.0917","0.0873","","","","1.114","1.118","1.118","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006698","5.8295","0.0007","5.5407","0.0007","16.345","0.002","90","","94.607","0.002","90","","526.23","0.11","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-dinitro-2,2'-bipyridine","","- C10 H6 N4 O4 -","- C10 H6 N4 O4 -","- C20 H12 N8 O8 -","2","0.5","KA1243","Pilkington, Melanie; Capelli, Silvia; Hauser, Jürg; Hoffmann, Christina; Bürgi, Hans-Beat","4,4'-Dinitro-2,2'-bipyridine","Acta Crystallographica Section C","1997","53","11","1719","1721","10.1107/S0108270197006586","","","0.71073","MoKα","","0.0456","0.0359","","0.0888","0.0852","","","","2.688","2.841","2.841","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006699","11.4923","0.0005","14.3227","0.0007","8.1715","0.0004","95.655","0.001","94.838","0.001","89.567","0.001","1333.72","0.11","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","Copper(II) (N,N-bis(3,5-dimethylpyrazolyl-1-ylmethyl)-1-hydroxy- 2-aminoethane)(3,5-dimethyl-pyrazol) bis(perchlorate)","","- C19 H31 Cl2 Cu N7 O9 -","- C19 H31 Cl2 Cu N7 O9 -","- C38 H62 Cl4 Cu2 N14 O18 -","2","1","KH1152","Boyd, Peter D. W.; Burrell, Anthony K.; Rickard, Clifton E. F.","[<i>N</i>,<i>N</i>-Bis(3,5-dimethylpyrazol-1-ylmethyl)-1-hydroxy-2-aminoethane](3,5-dimethylpyrazole)copper(II) Diperchlorate","Acta Crystallographica Section C","1997","53","11","1549","1551","10.1107/S0108270197007932","","","0.71073","MoKα","","0.0442","0.0398","","0.1161","0.1125","","","","1.042","1.064","1.064","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006700","8.196","0.005","9.315","0.003","7.306","0.002","107.5","0.03","112.93","0.04","98.51","0.03","467.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N,N-dimethyl-1,3-propanediamine nickel(II) thiocyanate","","- C12 H28 N6 Ni S2 -","- C12 H28 N6 Ni S2 -","- C12 H28 N6 Ni S2 -","1","0.5","LI1152","Soma Ghosh; Monika Mukherjee; Alok K. Mukherjee; Nirmalendu Ray Chaudhuri","Bis(<i>N</i>,<i>N</i>-dimethyl-1,3-propanediamine)bis(thiocyanato-<i>N</i>)nickel(II), Ni<i>L</i>~2~(NCS)~2~, and its Solid-State Isomer [<i>L</i> = NH~2~(CH~2~)~3~N(CH~3~)~2~]","Acta Crystallographica Section C","1997","53","11","1561","1564","10.1107/S010827019700588X","","","0.71073","MoKα","","0.026","0.024","","0.062","0.061","","","","0.988","1.003","1.003","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006701","7.354","0.001","8.477","0.001","25.511","0.003","90","","90","","90","","1590.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(4-chlorophenyl)amino-6,7,8,9-tetrahydrobenzo(b)thieno[3,2-e]- 1,2,4-triazolo[1,5-c]-pyrimidine.","","- C17 H14 Cl N5 S -","- C17 H13.872 Cl N5 S -","- C68 H55.488 Cl4 N20 S4 -","4","1","MU1295","Velavan, Ramasamy; Sivakumar, Kandasamy; Fun, Hoong-Kun; Pathak, Urvish S.; Jain, Kishor S.; Singh, Sanjay","Two Substituted [1,2,4]Triazole Derivatives","Acta Crystallographica Section C","1997","53","11","1615","1617","10.1107/S0108270197004812","","","0.71073","MoKα","","0.0675","0.0563","","0.1836","0.1461","","","","1.046","1.058","1.058","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006702","8.814","0.001","8.718","0.001","22.125","0.002","90","","90.8","0.01","90","","1699.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-chlorophenyl)amino-4-methyl-6,7,8,9-tetrahydrobenzo(b)thieno[3,2-e]- 1,2,4-triazolo[1,5-c]-pyrimidine.","","- C18 H16 Cl N5 S -","- C18 H15.664 Cl N5 S -","- C72 H62.656 Cl4 N20 S4 -","4","1","MU1295","Velavan, Ramasamy; Sivakumar, Kandasamy; Fun, Hoong-Kun; Pathak, Urvish S.; Jain, Kishor S.; Singh, Sanjay","Two Substituted [1,2,4]Triazole Derivatives","Acta Crystallographica Section C","1997","53","11","1615","1617","10.1107/S0108270197004812","","","0.71073","MoKα","","0.0529","0.0391","","0.1109","0.1048","","","","0.962","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006703","10.131","0.003","12.711","0.005","23.594","0.007","87.27","0.03","101.59","0.03","109.05","0.03","2812.8","1.7","293","","","","","","","","","","","8","P -1","-P 1","2","","","","- C59 H49 Cu3 Mo N O P3 S4 -","- C59 H49 Cu3 Mo N O P3 S4 -","- C118 H98 Cu6 Mo2 N2 O2 P6 S8 -","2","1","MU1304","Wang, Quanming; Wu, Xintao; Huang, Qun; Sheng, Tianlu; Lin, Ping","Oxo-1κ<i>O</i>-μ~3~-(pyridine-2-thiolato-2κ<i>N</i>,3:4κ^2^<i>S</i>)-tri-μ~3~-sulfido-1:2:3κ^3^<i>S</i>;1:2:4κ^3^<i>S</i>;2:3:4κ^3^<i>S</i>-tris(triphenylphosphine)-2κ<i>P</i>;3κ<i>P</i>;4κ<i>P</i>-tricoppermolybdenum","Acta Crystallographica Section C","1997","53","11","1542","1543","10.1107/S010827019700382X","","","0.71073","MoKα","","","0.054","","","0.06","","","","","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006704","9.728","0.003","19.856","0.011","12.939","0.004","90","","103.75","0.03","90","","2427.7","1.7","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tris(di-μ-chloro-dichloroaluminium-1κ^2^Cl:2κ^2^Cl)(η^6^-toluene)neodymium","","- C7 H8 Al3 Cl12 Nd -","- C7 H8 Al3 Cl12 Nd -","- C28 H32 Al12 Cl48 Nd4 -","4","1","MU1314","Liu, Qiancai; Lin, Yong-Hua; Shen, Qi","An η^6^-Toluene Complex of Neodymium: [Nd(η^6^-C~6~H~5~CH~3~)(AlCl~4~)~3~]","Acta Crystallographica Section C","1997","53","11","1579","1580","10.1107/S0108270197004964","","","0.71069","MoKα","","","0.039","","","0.038","","","","","1.464","1.464","","","","","has coordinates","278316","2022-10-03","11:25:04",""
"2006705","10.725","0.001","11.126","0.002","18.368","0.003","93.41","0.01","90.05","0.01","112.61","0.01","2019.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","trans-Tetracarbonylbis[tris(4-chlorophenyl)phosphine]molybdenum(0)","","- C40 H24 Cl6 Mo O4 P2 -","- C40 H24 Cl6 Mo O4 P2 -","- C80 H48 Cl12 Mo2 O8 P4 -","2","1","MU1322","Shawkataly, Omar bin; Umathavan, Arumugam; Ramalingam, Kuppukkannu; Fun, Hoong-Kun; Ibrahim, Abdul Razak","<i>trans</i>-Tetracarbonylbis[tris(4-chlorophenyl)phosphine-<i>P</i>]molybdenum(0)","Acta Crystallographica Section C","1997","53","11","1543","1545","10.1107/S0108270197009384","","","0.71073","MoKα","","0.109","0.048","","0.121","0.102","","","","0.81","0.968","0.968","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006706","8.028","0.001","12.349","0.002","14.922","0.003","90","","92.2","0.01","90","","1478.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Cl N4 -","- C18 H11 Cl N4 -","- C72 H44 Cl4 N16 -","4","1","MU1327","Zhong-Lin Lu; Zhen-Wei Bian; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","<i>o</i>-Chlorobenzaldehyde 4,5-Diaza-9-fluorenylidenehydrazone","Acta Crystallographica Section C","1997","53","11","1614","1615","10.1107/S0108270197008159","","","0.71073","MoKα","","0.1089","0.0414","","0.1017","0.0864","","","","0.808","1.051","1.051","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006707","14.922","0.002","15.157","0.002","23.606","0.003","90","","90","","90","","5339","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl- xanthylium Iodide Monohydrate","","- C28 H33 I N2 O4 -","- C28 H33 I N2 O4 -","- C224 H264 I8 N16 O32 -","8","1","MU1330","Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Cai-Ming Lu; Ren-Gen Xiong; Xiao-zeng You","<i>N</i>-[9-(2-Ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-3-xanthenylidene]ethylammonium Iodide Monohydrate","Acta Crystallographica Section C","1997","53","11","1619","1620","10.1107/S0108270197009360","","","0.71073","MoKα","","0.1016","0.0596","","0.2024","0.1788","","","","0.984","1.199","1.199","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006708","18.262","0.002","7.096","0.001","26.315","0.002","90","","105.09","0.01","90","","3292.5","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,12-dibromo-5,6-dihydrodibenz[c,h]acridine","","- C21 H13 Br2 N -","- C21 H13 Br2 N -","- C168 H104 Br16 N8 -","8","1","MU1331","Jayanta Kumar Ray; Manash Kumar Haldar; Kandasamy Chinnakali; Hoong-Kun Fun","2,12-Dibromo-5,6-dihydrodibenz[<i>c</i>,<i>h</i>]acridine","Acta Crystallographica Section C","1997","53","11","1617","1619","10.1107/S0108270197009372","","","0.71073","MoKα","","0.1051","0.041","","0.1033","0.0857","","","","0.865","1.067","1.067","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006709","10.758","0.001","23.899","0.002","5.9","0.001","90","","90","","90","","1516.9","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1-(p-Chlorophenyl)-4(2-thienyl)pyrrolidin-2-one-5-carboxylic acid","","- C15 H12 Cl N O3 S -","- C15 H12 Cl N O3 S -","- C60 H48 Cl4 N4 O12 S4 -","4","1","MU1332","Jayanta Kumar Ray; Bidhan Chandra Roy; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","1-(<i>p</i>-Chlorophenyl)-5-oxo-3-(2-thienyl)pyrrolidine-2-carboxylic Acid","Acta Crystallographica Section C","1997","53","11","1622","1624","10.1107/S0108270197009396","","","0.71073","MoKα","","0.085","0.0384","","0.0817","0.0714","","","","0.816","1.021","1.021","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006710","8.836","0.001","10.065","0.001","19.071","0.005","90","","90","","90","","1696.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Acetoylphenylhydrazone","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C64 H80 N16 O8 -","8","1","MU1336","Jayanta Kumar Ray; Tapan Kumar Mahato; Kandasamy Chinnakali; Hoong-Kun Fun","<i>N</i>-Acetoylphenylhydrazone","Acta Crystallographica Section C","1997","53","11","1621","1622","10.1107/S0108270197009402","","","0.71073","MoKα","","0.0624","0.0477","","0.1409","0.1308","","","","0.987","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006711","6.61","0.002","11.371","0.001","14.683","0.001","90","","91.73","0.01","90","","1103.1","0.4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","trihydrate 1/1 salt between ((R)-3-Hydroxy-4-trimethylammonio)butiramide and ((1R,3S)-1,2,2-Trimethyl-1,3-cyclopentane dicarboxylic acid)","","- C17 H38 N2 O9 -","- C17 H31 N2 O9 -","- C34 H62 N4 O18 -","2","1","NA1264","De Santis, Pasquale; Camalli, Mercedes; Spagna, Riccardo; Gallo, G.; Giorgi, F.; Tinti, M.O.","Trihydrate 1/1 Salt Between (<i>R</i>)-Carnitine Amide and (1<i>R</i>,3<i>S</i>)-Camphoric Acid","Acta Crystallographica Section C","1997","53","11","1679","1682","10.1107/S0108270197007178","","","1.54178","CuKα","","","0.059","","","0.081","","","","","0.995","0.995","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006712","4.0367","0.001","14.956","0.003","18.404","0.003","90","","90","","90","","1111.1","0.4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Guanidinium bis[dichloromercury(II)]chloride,","","- C H6 Cl5 Hg2 N3 -","- C H6 Cl5 Hg2 N3 -","- C4 H24 Cl20 Hg8 N12 -","4","0.5","NA1294","Kubicki, Maciej; Szafrański, Marek","Poly{guanidinium bis[dichloromercury(II)]-μ~4~-chloro}","Acta Crystallographica Section C","1997","53","11","1558","1561","10.1107/S0108270197007944","","","0.71073","MoKα","","0.077","0.062","","0.188","0.165","","","","1.087","1.134","1.134","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006713","8.123","0.001","10.58","0.002","10.981","0.002","98.52","0.01","101.76","0.01","105.97","0.01","867.1","0.3","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 O8 Pb -","- C14 H18 O8 Pb -","- C28 H36 O16 Pb2 -","2","1","NA1300","John Fawcett; Paul Jenkins; David R. Russell; Andrew J. Wood; Jan Wolters; Dick de Vos","Tris(acetato-<i>O</i>,<i>O</i>')(2,4-dimethoxyphenyl)lead(IV)","Acta Crystallographica Section C","1997","53","11","1600","1602","10.1107/S010827019700574X","","","0.71073","MoKα","","0.056","0.043","","0.102","0.095","","","","1.013","1.045","1.045","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006714","10.501","0.002","14.235","0.003","12.485","0.002","90","","91.1","0.1","90","","1865.9","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-[bis(N-methylpiperazine)Platinum(II)] dichloride tetrahydrate.","","- C10 H32 Cl2 N4 O4 Pt -","- C10 H24 N4 Pt -","- C40 H96 N16 Pt4 -","4","0.5","NA1302","Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni","Piperazine (and Derivatives) Platinum(II) Complexes: <i>trans</i>-Bis(<i>N</i>-methylpiperazine-<i>N</i>,<i>N</i>')platinum(II) Dichloride Tetrahydrate","Acta Crystallographica Section C","1997","53","11","1580","1583","10.1107/S0108270197007506","","","1.5418","CuKα","","0.081","0.073","","0.213","0.202","","","","1.055","1.136","1.136","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006715","6.7832","0.0009","18.325","0.0003","27.751","0.0004","90","","90","","90","","3449.5","0.5","289","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R,R)-Jacobsen Ligand","(1R,2R)-(-)-1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butyl-salicylidene)","","- C36 H54 N2 O2 -","- C36 H54 N2 O2 -","- C144 H216 N8 O8 -","4","1","NA1304","Yoon, Jae Woong; Yoon, Tae-Sung; Shin, Whanchul","(1<i>R</i>,2<i>R</i>)-({-})-<i>N</i>,<i>N</i>'-Bis(3,5-di-<i>tert</i>-butylsalicylidene)-1,2-cyclohexanediamine: a Salen Ligand of Jacobsen's Catalyst","Acta Crystallographica Section C","1997","53","11","1685","1687","10.1107/S0108270197006379","","","0.71069","MoKα","","0.1362","0.0592","","0.2022","0.1356","","","","1.065","1.021","1.021","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006716","5.47","0.001","18.31","0.004","18.88","0.004","90","","90","","90","","1890.9","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Benzyl-1-(hydroxyamino)-2:3;4:5-di-O-isopropylidene-α-D-mannofuranose","","- C19 H27 N O6 -","- C19 H27 N O6 -","- C76 H108 N4 O24 -","4","1","NA1319","Merino, Pedro; Merchan, Francisco L.; Tejero, Tomas; Franco, Santiago","Chiral Hydroxylamines. IV. 1-(<i>N</i>-Benzyl-<i>N</i>-hydroxyamino)-2:3;4:5-di-<i>O</i>-isopropylidene-α-<small>D</small>-mannofuranose","Acta Crystallographica Section C","1997","53","11","1703","1705","10.1107/S010827019700913X","","","0.71073","MoKα","","0.102","0.069","","0.34","","0.174","","","1.078","","","1.08","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006717","6.398","0.002","23.965","0.001","14.687","0.005","90","","95.3","0.03","90","","2242.3","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","6,6'-di-t-butylcarbonyloxy-2-carbométhoxy-4-méthylènecyclooctanone.","","- C21 H32 O7 -","- C21 H32 O7 -","- C84 H128 O28 -","4","2","PA1250","Ginderow, Daria; Louis Fensterbank; Catherine Jorand-Lebrun; Max Malacria","Deux Composés Trisubstitués de la 4-Méthylènecyclooctanone","Acta Crystallographica Section C","1997","53","11","1661","1665","10.1107/S0108270197008391","","","1.5418","CuKα","","0.0447","0.0403","","0.1175","0.1128","","","","1.027","1.043","1.043","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006718","9.678","0.003","11.042","0.009","13.668","0.005","66.2","0.05","74.26","0.03","77.26","0.04","1276","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6,6'-di-t-butylcarbonyloxy-2-phénylsulfonyl-4-méthylènecyclooctanone","","- C25 H34 O7 S -","- C25 H34 O7 S -","- C50 H68 O14 S2 -","2","1","PA1250","Ginderow, Daria; Louis Fensterbank; Catherine Jorand-Lebrun; Max Malacria","Deux Composés Trisubstitués de la 4-Méthylènecyclooctanone","Acta Crystallographica Section C","1997","53","11","1661","1665","10.1107/S0108270197008391","","","1.5418","CuKα","","0.0457","0.0432","","0.1178","0.116","","","","1.059","1.059","1.059","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006719","9.481","0.001","12.592","0.001","14.322","0.001","114.559","0.001","95.919","0.001","95.249","0.001","1529.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dicarbonyl[η^4^-((E)-(2,6,6-Trimethyl-cyclohepta-2,4-dienylidene)-ethyl acetat)]triphenylphosphine-iron","","- C34 H35 Fe O4 P -","- C34 H35 Fe O4 P -","- C68 H70 Fe2 O8 P2 -","2","1","QA0015","Petrowitsch, Tanja; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","Dicarbonyl[η^4^-(<i>E</i>)-(2,6,6-trimethylcyclohepta-2,4-dienylidene)ethyl acetate](triphenylphosphine)iron","Acta Crystallographica Section C","1997","53","11","IUC9700023","","10.1107/S0108270197099356","","","0.71069","MoKα","","0.087","0.0389","","0.1088","0.0906","","","","0.74","0.824","0.824","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006720","24.778","0.009","9.442","0.003","9.537","0.006","90","","91.27","0.04","90","","2230.7","1.8","296","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(1-Adamantyl)acetamide","","- C12 H19 N O -","- C12 H19 N O -","- C96 H152 N8 O8 -","8","1","QA0021","Mizoguchi, Jun-ichi; Miyaki Takayuki; Kashino, Setsuo","<i>N</i>-(1-Adamantyl)acetamide","Acta Crystallographica Section C","1997","53","11","IUC9700024","","10.1107/S0108270197099319","","","0.71073","MoKα","","","0.057","","","","0.054","","","","","","1.25","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006721","12.331","0.002","21.349","0.002","15.849","0.002","90","","92.079","0.01","90","","4169.6","0.9","295.2","","295.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- As2 Co4 H50 K10 O93 W18 -","- As2 Co4 K10 O92 W18 -","- As4 Co8 K20 O184 W36 -","2","0.5","QA0022","Timothy J.R. Weakley","Potassium Bis(α-nonatungstoarsenato)diaquatetracobaltate(II) 23-Hydrate, K~10~[Co~4~(H~2~O)~2~(AsW~9~O~34~)~2~].23H~2~O","Acta Crystallographica Section C","1997","53","11","IUC9700025","","10.1107/S010827019709937X","","","0.71073","MoKα","","","0.0367","","","0.0402","","","","","1.825","1.825","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006722","6.967","0.005","18.876","0.009","10.157","0.006","90","","92.9","0.2","90","","1334","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1-diethyl-3-(4-methylbenzoyl)thiourea","","- C13 H18 N2 O S -","- C13 H18 N2 O S -","- C52 H72 N8 O4 S4 -","4","1","QB0010","Angel Dago Morales; Santiago García-Granda; Yolanda Rodríguez Esteva; Ana Plutín Stevens; Gerardo Alexis Acosta Crespo","1,1-Diethyl-3-(4-methylbenzoyl)thiourea","Acta Crystallographica Section C","1997","53","11","IUC9700019","","10.1107/S0108270197099344","","","0.71073","MoKα","","0.1165","0.0429","","0.122","0.0987","","","","1.026","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006723","9.4775","0.0001","11.1589","0.0002","10.7089","0.0002","90","","111.505","0.001","90","","1053.71","0.03","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","2,4,6-Triphenyl-1,2,5,6-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C50 H48 N4 O4 -","2","1","QB0017","Bolte, Michael","Ethyl 2,4,6-Triphenyl-1,2,5,6-tetrahydropyrimidine-5-carboxylate at 173K","Acta Crystallographica Section C","1997","53","11","IUC9700020","","10.1107/S0108270197099332","","","0.71073","MoKα","","0.0352","0.0349","","0.0888","0.0885","","","","1.076","1.078","1.078","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006724","7.446","0.006","11.41","0.007","6.44","0.01","103.83","0.08","92.3","0.1","82.07","0.06","526.2","1","295","","","","","","","","","","","5","P -1","-P 1","2","","Rubidium hydrogen bis(dichloroacetate)","","- C4 H3 Cl4 O4 Rb -","- C4 H3 Cl4 O4 Rb -","- C8 H6 Cl8 O8 Rb2 -","2","1","QB0023","Yoshida, Tadanori; Kashino, Setsuo","Rubidium Hydrogen Bis(dichloroacetate)","Acta Crystallographica Section C","1997","53","11","IUC9700021","","10.1107/S0108270197099368","","","0.71073","MoKα","","","0.031","","","","0.033","","","","","","1.22","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006725","5.2107","0.0008","9.91","0.001","13.065","0.002","90","","98.1","0.01","90","","667.92","0.16","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","t-butyl carbamate","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","1","QB0024","Bursavich, Matthew G.; Fronczek, Frank R.","<i>tert</i>-Butyl Carbamate at 100K","Acta Crystallographica Section C","1997","53","11","IUC9700022","","10.1107/S0108270197099320","","","0.71073","Mo-Kα","","0.065","0.045","","0.042","0.041","","","","1.612","1.602","1.602","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006726","8.05","0.001","12.49","0.002","20.193","0.004","90","","95.97","0.01","90","","2019.3","0.6","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H48 Ca Cu2 N14 O4 S6 -","- C22 H48 Ca Cu2 N14 O4 S6 -","- C44 H96 Ca2 Cu4 N28 O8 S12 -","2","0.5","SK1074","Lu, Tian-Huey; Lin, Jyh-Liong; Lan, Wei-Jen; Chung, Chung-Sun","Bis[(1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)(thiocyanato-<i>S</i>)copper(II)] Diaquatetrakis(isothiocyanato-<i>N</i>)calcate(2‒) Dihydrate","Acta Crystallographica Section C","1997","53","11","1598","1600","10.1107/S0108270197008639","","","0.71073","MolybdenumKα","","0.026","0.026","","0.028","0.028","","","","","1.12","1.12","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006727","22.806","0.007","6.45","0.002","5.813","0.002","90","","90","","90","","855.1","0.5","213","0.2","213","0.2","","","","","","","","3","C m c 21","C 2c -2","36","heptamethylenediamine","1,7-diaminoheptane","","- C7 H18 N2 -","- C7 H18 N2 -","- C28 H72 N8 -","4","0.5","SK1075","Gotthardt, Roger; Fuhrhop, Jürgen-Hinrich; Buschmann, Jürgen; Luger, Peter","Heptamethylenediamine at 213K","Acta Crystallographica Section C","1997","53","11","1715","1717","10.1107/S0108270197006471","","","1.5418","CuKα,Nifilter","","0.057","0.0493","","0.156","0.1471","","","","1.069","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006728","10.305","0.003","22.511","0.007","9.641","0.003","90","","83.25","0.02","90","","2221","1.2","293","2","190","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,2'-bipyridine)flavonolatocopper(II) perchlorate","","- C25 H17 Cl Cu N2 O7 -","- C25 H17 Cl Cu N2 O7 -","- C100 H68 Cl4 Cu4 N8 O28 -","4","1","SK1079","Lippai, István; Speier, Gábor; Huttner, Gottfried; Zsolnai, László","(2,2'-Bipyridine)(flavonolato)copper(II) Perchlorate, [Cu(bpy)(fla)]ClO~4~","Acta Crystallographica Section C","1997","53","11","1547","1549","10.1107/S0108270197005568","","","0.71073","MoKα","","0.0591","0.0534","","0.1666","0.1624","","","","1.852","1.911","1.911","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006729","10.211","0.002","8.285","0.001","19.539","0.003","90","","99.32","0.01","90","","1631.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Amino-7-(4-morpholinobutyl)-1,3-dimethyl-3,7-dihydro-1H-purine- 2,6-dione","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C60 H96 N24 O12 -","4","1","SK1110","Karczmarzyk, Zbigniew; Pawłowski, Maciej","8-Amino-7-(4-morpholinobutyl)theophylline","Acta Crystallographica Section C","1997","53","11","1650","1653","10.1107/S0108270197006483","","","1.54184","CuKα","","0.0565","0.0486","","0.1514","","0.1457","","","1.007","","","1.039","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006730","9.157","0.003","10.815","0.003","10.855","0.004","75.78","0.01","85.9","0.01","84.42","0.01","1035.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(1-Amino-2-diphenylphosphinobenzene)tetracarbonylmolybdenum(0)","","- C22 H16 Mo N O4 P -","- C22 H16 Mo N O4 P -","- C44 H32 Mo2 N2 O8 P2 -","2","1","SK1116","Dahlenburg, Lutz; Herbst, Konrad; Liehr, Günter","Tetracarbonyl[2-(diphenylphosphino)aniline-<i>N</i>,<i>P</i>]molybdenum(0)","Acta Crystallographica Section C","1997","53","11","1545","1547","10.1107/S0108270197007518","","","0.7107","MoKα","","0.034","0.029","","0.058","0.056","","","","1.129","1.156","1.156","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006731","7.1807","0.0001","10.8165","0.0002","12.6864","0.0002","90","","90","","90","","985.35","0.03","143","","143","","","","","","","","","5","P m n 21","P 2ac -2","31","","N-Hydro-4-methylpyridinium Pentachloro(4-methylpyridino)titanate(IV) Acetonitrile at 143K","","- C14 H18 Cl5 N3 Ti -","- C14 H18 Cl5 N3 Ti -","- C28 H36 Cl10 N6 Ti2 -","2","0.5","SK1120","Hensen, Karl; Pickel, Peter; Lemke, Alexander; Bolte, Michael","4-Methylpyridinium Pentachloro(4-methylpyridine-<i>N</i>)titanate(IV) Acetonitrile Solvate at 143K","Acta Crystallographica Section C","1997","53","11","1583","1585","10.1107/S0108270197008949","","","0.71073","MoKα","","0.0548","0.0379","","0.0735","0.0681","","","","1.072","1.094","1.094","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006732","13.303","0.001","13.365","0.001","15.493","0.001","90","","90","","90","","2754.6","0.3","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Acetyl-ΔPhe-L-Ala-ΔPhe-D-Ala-Methylester","","- C27 H30 N4 O6 -","- C27 H30 N4 O6 -","- C108 H120 N16 O24 -","4","1","SX1026","Tuzi, Angela; Fissi, Adriano; Pieroni, Osvaldo","Acetyl-ΔPhe-<small>L</small>-Ala-ΔPhe-<small>D</small>-Ala Methyl Ester","Acta Crystallographica Section C","1997","53","11","1696","1698","10.1107/S0108270197007051","","","1.5418","CuKα","","0.054","0.046","","","0.063","","","","","1.87","1.87","","","","","has coordinates","208453","2020-10-21","18:00:00",""
"2006733","6.6176","0.0009","8.38","0.0005","47.742","0.0005","89.99","0.02","90.497","0.01","90.02","0.03","2647.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-myristic acid 3-tert-butoxycarbonylamino-2-oxo-piperidin-5-yl ester","","- C24 H44 N2 O5 -","- C24 H44 N2 O5 -","- C96 H176 N8 O20 -","4","1","SX1028","Leopoldo Suescun P.; Raúl A. Mariezcurrena; Álvaro W. Mombrú; Oscar A. González; Eduardo Manta; Sandra Gordon","<i>trans</i>-Myristic Acid 3-<i>tert</i>-Butoxycarbonylamino-2-oxopiperidin-5-yl Ester, a New Anthelmintic Compound","Acta Crystallographica Section C","1997","53","11","1682","1685","10.1107/S0108270197008329","","","0.7107","MoKα","","0.1298","0.0474","","0.1764","0.1366","","","","1.044","1.226","1.226","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006734","8.892","0.002","11.261","0.003","16.681","0.005","90","","93.7","0.02","90","","1666.8","0.8","293","2","","","","","","","","","","3","P 1 21 1","","","1-Hydroxybaccatin I","","","- C32 H44 O14 -","- C32 H44 O14 -","- C64 H88 O28 -","2","1","SX1035","Davide Viterbo; Marco Milanesio; Giovanni Appendino; Sunil K. Chattopadhyay; Gour C. Saha","1-Hydroxybaccatin I, C~32~H~44~O~14~, and 2-Deacetoxydecinnamoyltaxinine J, C~28~H~40~O~9~","Acta Crystallographica Section C","1997","53","11","1687","1690","10.1107/S0108270197009256","","","0.71069","MoKα","","","0.0577","","","0.1507","","","","","1.067","1.067","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006735","10.723","0.003","14.354","0.003","18.592","0.004","90","","90","","90","","2861.6","1.2","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-deacetoxydecinnamoyltaxinine J","","","- C28 H40 O9 -","- C28 H40 O9 -","- C112 H160 O36 -","4","1","SX1035","Davide Viterbo; Marco Milanesio; Giovanni Appendino; Sunil K. Chattopadhyay; Gour C. Saha","1-Hydroxybaccatin I, C~32~H~44~O~14~, and 2-Deacetoxydecinnamoyltaxinine J, C~28~H~40~O~9~","Acta Crystallographica Section C","1997","53","11","1687","1690","10.1107/S0108270197009256","","","0.71069","MoKα","","","0.0553","","","0.1289","","","","","1.125","1.125","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2006736","13.497","0.005","4.5178","0.0011","13.211","0.004","90","","118.8","0.02","90","","705.9","0.4","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","TA1089","Gainsford, Graeme J.; Miller, Ian J.; Yorke, Selwyn C.; Rae, A. David","Pseudosymmetry in 2,5-Dimethyl-1,4-benzenediol","Acta Crystallographica Section C","1997","53","11","1673","1675","10.1107/S0108270197007191","","","0.71069","MoKα","","0.056","0.037","","0.094","0.086","","","","0.975","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006737","10.923","0.004","11.114","0.001","13.548","0.004","90","","99.52","0.01","90","","1622.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Calcium Potassium Tris(oxalato)chromate(III) Pentahydrate","","- C6 H10 Ca Cr K O17 -","- C6 H10 Ca Cr K O17 -","- C24 H40 Ca4 Cr4 K4 O68 -","4","1","TA1140","Masters, Vanessa; Gahan, Lawrence R.; Kennard, Colin H. L.","Calcium Potassium Tris(oxalato-<i>O</i>^1^,<i>O</i>^2^)chromate(III) Pentahydrate","Acta Crystallographica Section C","1997","53","11","1576","1577","10.1107/S0108270197007762","","","0.71073","MoKα","","0.038","0.032","","0.091","0.087","","","","1.072","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006738","9.3529","0.0008","9.3529","0.0008","29.292","0.004","90","","90","","120","","2219.1","0.4","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Cs5 Mo21 S23 -","- Cs5 Mo21 S23 -","- Cs10 Mo42 S46 -","2","0.166667","TA1146","Picard, S.; Gougeon, P.; Potel, M.","Cs~5~Mo~21~S~23~","Acta Crystallographica Section C","1997","53","11","1519","1521","10.1107/S010827019700752X","","","0.71073","MoKα","","0.0669","0.0284","","0.0912","0.0881","","","","1.107","1.278","1.278","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006739","13.32","0.003","7.729","0.002","14.785","0.002","90","","90.256","0.014","90","","1522.1","0.6","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","calcium yttrium silicate","","","- Ca3 O18 Si6 Y2 -","- Ca2.997 O18 Si6 Y1.999 -","- Ca11.988 O72 Si24 Y7.996 -","4","0.5","TA1157","Yamane, Hisanori; Nagasawa, Toru; Shimada, Masahiko; Endo, Tadashi","Ca~3~Y~2~(Si~3~O~9~)~2~","Acta Crystallographica Section C","1997","53","11","1533","1536","10.1107/S010827019700721X","","","0.71069","MoKα","","0.0327","0.0212","","0.0629","0.0577","","","","1.063","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006740","5.3907","0.0011","12.68","0.002","29.152","0.005","90","","90","","90","","1992.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 Cl N2 O8 -","- C18 H23 Cl N2 O8 -","- C72 H92 Cl4 N8 O32 -","4","1","VJ1040","N. Srinivasan; R.K. Rajaram","<small>L</small>-Phenylalanine <small>L</small>-Phenylalaninium Perchlorate","Acta Crystallographica Section C","1997","53","11","1711","1713","10.1107/S0108270197000577","","","0.71073","MoKα","","0.0789","0.0463","","0.2354","0.1016","","","","1.074","1.151","1.151","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006741","10.231","0.004","22.752","0.007","4.817","0.002","90","","90","","90","","1121.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H13 N5 O3 -","- C10 H13 N5 O3 -","- C40 H52 N20 O12 -","4","1","VJ1055","P. Karthe; N. Gautham; Anil Kumar; S.B. Katti","β-<small>D</small>-3'-Deoxyadenosine (Cordycepin)","Acta Crystallographica Section C","1997","53","11","1694","1696","10.1107/S0108270197007361","","","0.7107","MoKα","","0.1311","0.0539","","0.1281","0.091","","","","0.844","0.841","0.841","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006742","16.001","0.001","11.821","0.003","9.641","0.001","90","","98.53","0.03","90","","1803.4","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","trans-(±)-N,N'-Bis(salicylidene)-1,2-cyclohexane-diamine","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","VJ1061","Qiancai Liu; Mengxian Ding; Yonghua Lin; Yan Xing","<i>trans</i>-(±)-<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,2-cyclohexanediamine","Acta Crystallographica Section C","1997","53","11","1671","1673","10.1107/S0108270197008640","","","0.71073","MoKα","","0.0638","0.037","","0.0845","0.0765","","","","0.869","1.014","1.014","","","","","has coordinates","176759","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",""
"2006744","14.341","0.001","15.206","0.001","17.716","0.002","90","","90","","90","","3863.3","0.6","213","","213","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","11S,12S-trans-N,N'-dicyclohexyl-9,10-dihydro-9,10-ethanoanthracene- 11,12-dicarboxamide.cyclohexylamine.dimethylformamide. hydrogen chloride (1:1:1:1)","","- C39 H57 Cl N4 O3 -","- C39 H57 Cl N4 O3 -","- C156 H228 Cl4 N16 O12 -","4","1","AB1479","Helmle, Olga Formerly Olga Gallardo.; Csöregh, Ingeborg; Hens, Thomas; Weber, Edwin","Solid Inclusion Compounds of Chiral Roof-Shaped Diamide Hosts","Acta Crystallographica Section C","1997","53","12","1892","1895","10.1107/S0108270197011335","","","0.71073","MoKα","","0.167","0.084","","0.108","","0.095","","","","","","1.69","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006745","10.004","0.003","9.966","0.003","32.06","0.01","90","","90","","90","","3196.4","1.7","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","11S,12S-trans-N,N'-di-t-butyl-9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxamide. dimethyl sulfuroxide.hydrogen oxide (1:2:1)","","- C30 H46 N2 O5 S2 -","- C30 H46 N2 O5 S2 -","- C120 H184 N8 O20 S8 -","4","1","AB1479","Helmle, Olga Formerly Olga Gallardo.; Csöregh, Ingeborg; Hens, Thomas; Weber, Edwin","Solid Inclusion Compounds of Chiral Roof-Shaped Diamide Hosts","Acta Crystallographica Section C","1997","53","12","1892","1895","10.1107/S0108270197011335","","","0.71073","MoKα","","0.163","0.088","","0.153","","0.108","","","0","","","2.193","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006746","13.972","0.006","10.557","0.004","18.596","0.014","90","","107.16","0.02","90","","2621","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(8R/8S)-8-Phenyl-6-[trans-(1R/1S,2S/2R)-2-phenylcyclohexoxy]-5,8-dihydro-2H- [1,2,4]-triazolo-[1,2-a]-pyridazin-1,3-dione-water(1/1).","","- C30 H31 N3 O4 -","- C30 H31 N3 O4 -","- C120 H124 N12 O16 -","4","1","AB1480","Santiago García-Granda; Rafael Santiago-García; Angel Suárez-Sobrino; Luis Angel López","(5<i>R</i>/5<i>S</i>)-2,5-Diphenyl-7-[<i>trans</i>-(1<i>R</i>/1<i>S</i>,2<i>S</i>/2<i>R</i>)-2-phenylcyclohexyloxy]-2,3,5,8-tetrahydro-1<i>H</i>-1,2,4-triazolo[1,2-<i>a</i>]pyridazine-1,3-dione‒Water (1/1): a Face-Selective Diels‒Alder Reaction of 2-Alkoxy-1,3-butadiene","Acta Crystallographica Section C","1997","53","12","1941","1943","10.1107/S0108270197007853","","","0.71073","MoKα","","0.19","0.0548","","0.1855","0.134","","","","1.011","1.175","1.175","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006747","12.4501","0.0009","18.6708","0.0011","7.984","0.0009","90","","90","","90","","1855.9","0.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N2 O4 Pt -","- C16 H28 N2 O4 Pt -","- C64 H112 N8 O16 Pt4 -","4","1","AB1481","Yuge, Hidetaka; Miyamoto, Takeshi Ken","Dual Behaviour of Acetylacetonate Anions in the Hydrogen-Bonded Supramolecular Structure (Acetylacetonato-<i>O</i>,<i>O</i>')[<i>trans</i>-(1<i>R</i>,2<i>R</i>)-diaminocyclohexane-<i>N</i>,<i>N</i>']platinum(II) Acetylacetonate","Acta Crystallographica Section C","1997","53","12","1816","1819","10.1107/S0108270197010792","","","0.71069","MoKα","","","0.0309","","","0.0615","0.0657","","","","1.028","1.028","1.024","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006748","7.634","0.004","8.243","0.009","8.507","0.007","69.1","0.08","64.97","0.05","72.96","0.07","446.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(Acetyl)-3-(5-cyano-2-furyl)propenenitrile","","- C10 H6 N2 O2 -","- C10 H6 N2 O2 -","- C20 H12 N4 O4 -","2","1","AB1486","Viktor Vrábel; Július Sivý; Štefan Marchalín","2-Acetyl-3-(5-cyano-2-furyl)propenenitrile","Acta Crystallographica Section C","1997","53","12","1926","1927","10.1107/S0108270197010809","","","0.71069","MoKα","","0.0882","0.0384","","0.0973","0.09","","","","0.941","1.196","1.196","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006749","7.552","0.003","8.172","0.001","15.624","0.003","90","","99.29","0.02","90","","951.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-methyl-5,8-dioxo-5,8-dihydro-furo[3,2-g]chromone","","- C12 H6 O5 -","- C12 H6 O5 -","- C48 H24 O20 -","4","1","AB1487","Yakoubi, Abderrahman; Jalel Eddine Hila; Habib, Boughzala; Bizid, Abdelmalek","The Khellin Quinone","Acta Crystallographica Section C","1997","53","12","1949","1950","10.1107/S0108270197010160","","","0.71069","MoKα","","0.0799","0.0464","","0.1205","0.1035","","","","1.093","1.19","1.19","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006750","10.64","0.002","5.987","0.002","12.726","0.003","90","","104.556","0.003","90","","784.6","0.4","294","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 O2 -","- C8 H12 O2 -","- C32 H48 O8 -","4","1","AB1495","Ülkü, Dinçer; Tahir, M. Nawaz; Tanyeli, Cihangir; Demir, Ayhan S.; Dikici, Emre","2-Hydroxy-5,5-dimethylcyclohex-2-en-1-one","Acta Crystallographica Section C","1997","53","12","1998","1999","10.1107/S0108270197012079","","","0.71069","MoKα","","","0.048","","","0.054","","","","","0.85","0.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006751","10.903","0.002","8.603","0.002","26.175","0.005","90","","90","","90","","2455.2","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","N^1^, N^2^-Diphenylacetamidine","","","- C14 H14 N2 -","- C14 H14 N2 -","- C112 H112 N16 -","8","1","AB1499","Phillips, Paul R.; Barker, James; Errington, William; Wallbridge, Malcolm G.H.","<i>N</i>^1^,<i>N</i>^2^-Diphenylacetamidine","Acta Crystallographica Section C","1997","53","12","1968","1971","10.1107/S0108270197011347","","","0.71073","MoKα","","0.1382","0.0453","","0.1079","0.0926","","","","0.672","1.117","1.117","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006752","18.676","0.005","12.553","0.004","16.657","0.003","90","","130.134","0.008","90","","2985.6","1.4","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly[cadmium(II)-[bis-μ-(1,3-di-(4-pyridyl)propane-N:N') -μ-cyano-C,N-silver(I)-μ-cyano-C,N]]","","- C30 H28 Ag2 Cd N8 -","- C30 H28 Ag2 Cd N8 -","- C120 H112 Ag8 Cd4 N32 -","4","0.5","AV1010","Soma, Takayoshi; Iwamoto, Toschitake","Doubly Interpenetrating Three-Dimensional Framework Structure of <i>trans</i>-[Cd(dppn)~2~{Ag(CN)~2~}~2~]~<i>n~</i> [dppn = 1,3-Di(4-pyridyl)propane]","Acta Crystallographica Section C","1997","53","12","1819","1821","10.1107/S0108270197010196","","","0.71069","MoKα","","","0.0574","","","0.0488","","","","","0.93","0.93","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006753","22.5535","0.0001","10.4998","0.0001","12.1717","0.0002","90","","96.116","0.001","90","","2865.94","0.06","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1'-Bis(diphenylphosphine oxide)ferrocene Monohydrate at 173 K","","- C34 H30 Fe O3 P2 -","- C34 H30 Fe O3 P2 -","- C136 H120 Fe4 O12 P8 -","4","1","AV1015","Bolte, Michael; Naumann, Frank; Hashmi, A. Stephen K.","A New Modification of 1,1'-Bis(diphenylphosphine oxide)ferrocene at 173K","Acta Crystallographica Section C","1997","53","12","1785","1786","10.1107/S0108270197011207","","","0.71073","MoKα","","0.109","0.074","","0.142","0.13","","","","1.123","1.203","1.203","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2006754","10.5075","0.0015","10.6251","0.0015","23.407","0.003","90","","90","","90","","2613.2","0.6","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[8S-[7[R*(R*)],8R*]]-7-[2-[[1-(ethoxycarbonyl)-3- phenylpropyl]-amino]-1-oxopropyl]-1,4-dithia-7- azaspiro[4.4]nonane-8-carboxylic acid hydrochloride","","- C22 H33 Cl N2 O6 S2 -","- C22 H33 Cl N2 O6 S2 -","- C88 H132 Cl4 N8 O24 S8 -","4","1","BK1260","Xu, Wei; Wahle, Mark C.; Stowell, Joseph G.; Byrn, Stephen R.","Spirapril Hydrochloride Hydrate","Acta Crystallographica Section C","1997","53","12","1917","1919","10.1107/S0108270197008287","","","0.71073","MoKα","","0.061","0.04","","0.108","0.092","","","","1.09","1.052","1.052","","","","","has coordinates,has disorder","208466","2020-10-21","18:00:00",""
"2006755","14.493","0.002","14.493","0.002","10.191","0.002","90","","90","","120","","1853.8","0.5","130","2","130","2","","","","","","","","5","P 32","P 32","145","pyridinium trifluoroacetate","","","- C7 H6 F3 N O2 -","- C7 H6 F3 N O2 -","- C63 H54 F27 N9 O18 -","9","3","BK1317","Palmore, G. Tayhas R.; McBride-Wieser, Mary T.","Pyridinium Trifluoroacetate: Spoked Columns of Hydrogen-Bonded Cyclic Dimers","Acta Crystallographica Section C","1997","53","12","1904","1907","10.1107/S0108270197009414","","","0.71073","MoKα","","0.0303","0.028","","0.126","0.0734","","","","1.057","1.069","1.069","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006756","15.018","0.007","17.517","0.004","8.226","0.004","90","","90","","90","","2164","1.5","150","","150","","","","","","","","","4","F m m 2","F 2 -2","42","","Bis[pentamethylcyclopentadiene]dibromothorium(IV)","","- C20 H30 Br2 Th -","- C20 H30 Br2 Th -","- C80 H120 Br8 Th4 -","4","0.25","BK1342","Rabinovich, Daniel; Schimek, George L.; Pennington, William T.; Nielsen, Jon B.; Abney, Kent D.","Dibromobis(η^5^-pentamethylcyclopentadienyl)thorium(IV)","Acta Crystallographica Section C","1997","53","12","1794","1797","10.1107/S0108270197010056","","","0.71073","MoKα","","0.0313","0.031","","0.0342","0.034","","","","","2.28","2.28","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006757","11.5747","0.0013","10.7639","0.0007","7.2556","0.0007","90","","90","","90","","903.97","0.15","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","cadmium glutamate dihydrate","","- C5 H11 Cd N O6 -","- C5 H11 Cd N O6 -","- C20 H44 Cd4 N4 O24 -","4","1","BK1343","Tomlin, David W.; Cooper, Thomas M.; Cline, Stephen M.; Hughes, John M.; Adams, W. Wade","Cadmium Glutamate Dihydrate","Acta Crystallographica Section C","1997","53","12","1815","1816","10.1107/S0108270197009426","","","0.71073","Mo","","","0.014","","","","0.02","","","","","","0.91","","","","has coordinates","192027","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",""
"2006759","5.717","0.01","10.051","0.013","29.07","0.03","90","","90","","90","","1670","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-O-isopropylidene-5-O-p-tosyl-α-D-xylofuranose","","- C15 H20 O7 S -","- C15 H20 O7 S -","- C60 H80 O28 S4 -","4","1","BM1152","Philip J. Cox; R. Alan Howie; Helena Rufino; James L. Wardell","Two Tosylated 1,2-<i>O</i>-Isopropylidene-α-<small>D</small>-xylofuranoses","Acta Crystallographica Section C","1997","53","12","1939","1941","10.1107/S0108270197010810","","","0.71073","MoKα","","0.106","0.0568","","0.1484","0.1061","","","","1.014","1.153","1.153","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006760","6.391","0.006","13.795","0.006","13.967","0.008","90","","100.17","0.06","90","","1212","1.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,2-O-isopropylidene-3,5-di-O-p-tosyl-α-D-xylofuranose","","- C22 H26 O9 S2 -","- C22 H26 O9 S2 -","- C44 H52 O18 S4 -","2","1","BM1152","Philip J. Cox; R. Alan Howie; Helena Rufino; James L. Wardell","Two Tosylated 1,2-<i>O</i>-Isopropylidene-α-<small>D</small>-xylofuranoses","Acta Crystallographica Section C","1997","53","12","1939","1941","10.1107/S0108270197010810","","","0.71069","MoKα","","0.1396","0.0605","","0.1149","0.098","","","","0.968","1.23","1.23","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006761","4.965","0.004","9.728","0.005","18.168","0.012","90","","94.38","0.08","90","","874.9","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","8-hydroxyquinoline-O-sulfuric acid","8-hydroxyquinoline-O-sulfuric acid","","- C9 H7 N O4 S -","- C9 H7 N O4 S -","- C36 H28 N4 O16 S4 -","4","1","BM1154","Popek, Tomasz; Lis, Tadeusz","8-Hydroxyquinoline-<i>O</i>-sulfuric Acid and its Monohydrate","Acta Crystallographica Section C","1997","53","12","1983","1986","10.1107/S0108270197011219","","","0.71069","MoKα","","0.118","0.047","","0.134","0.11","","","","1.021","1.11","1.11","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006762","7.572","0.004","8.475","0.004","8.567","0.004","111.6","0.05","97.05","0.04","99.53","0.04","493.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","8-hydroxyquinoline-O-sulfuric acid monohydrate","8-hydroxyquinoline-O-sulfuric acid monohydrate","","- C9 H9 N O5 S -","- C9 H9 N O5 S -","- C18 H18 N2 O10 S2 -","2","1","BM1154","Popek, Tomasz; Lis, Tadeusz","8-Hydroxyquinoline-<i>O</i>-sulfuric Acid and its Monohydrate","Acta Crystallographica Section C","1997","53","12","1983","1986","10.1107/S0108270197011219","","","0.71069","MoKα","","0.059","0.035","","0.105","0.092","","","","1.032","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006763","16.876","0.003","14.756","0.002","13.541","0.002","90","","90","","90","","3372","0.9","173","2","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Tetrachlorocatecholatochlorotripyridyl indium(III) diethylether solvate","","- C29 H35 Cl5 In N3 O4 -","- C29 H35 Cl5 In N3 O4 -","- C116 H140 Cl20 In4 N12 O16 -","4","0.5","BM1155","Lawson, Yvonne G.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.","Mononuclear Indium and Gallium Tetrachlorocatecholate Complexes","Acta Crystallographica Section C","1997","53","12","1805","1809","10.1107/S0108270197010901","","","0.71073","MoKα","","0.0655","0.0456","","0.1213","0.1062","","","","1.169","1.167","1.167","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006764","25.504","0.007","17.64","0.007","18.572","0.004","90","","106.99","0.02","90","","7991","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetrachlorocatecholatochloropyridyl(1,10-phenanthroline) gallium (III) pyridine solvate","","- C40.5 H30.5 Cl5 Ga N6.5 O2 -","- C40.5 H30.5 Cl5 Ga N6.5 O2 -","- C324 H244 Cl40 Ga8 N52 O16 -","8","1","BM1155","Lawson, Yvonne G.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.","Mononuclear Indium and Gallium Tetrachlorocatecholate Complexes","Acta Crystallographica Section C","1997","53","12","1805","1809","10.1107/S0108270197010901","","","0.71073","MoKα","","0.1085","0.0589","","0.1812","0.1528","","","","0.973","1.068","1.068","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006765","8.967","0.001","9.16","0.002","15.71","0.007","90","","90","","90","","1290.4","0.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-methyl Benzhydrylamine Hydrochloride","","- C14 H16 Cl N -","- C14 H16 Cl N -","- C56 H64 Cl4 N4 -","4","1","BM1158","Andres E. Goeta; Graciela Punte; Blas E. Rivero; Luis Bruno Blanch","<i>N</i>-Methyl- and <i>N</i>-Ethylbenzhydrylamine Hydrochloride","Acta Crystallographica Section C","1997","53","12","1913","1916","10.1107/S0108270197011359","","","0.71073","MoKα","","0.0645","0.0367","","0.0996","0.0818","","","","1.081","1.048","1.048","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006766","9.615","0.002","9.102","0.002","15.933","0.003","90","","91.13","0.03","90","","1394.1","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-ethyl Benzhydrylamine Hydrochloride","","- C15 H18 Cl N -","- C15 H18 Cl N -","- C60 H72 Cl4 N4 -","4","2","BM1158","Andres E. Goeta; Graciela Punte; Blas E. Rivero; Luis Bruno Blanch","<i>N</i>-Methyl- and <i>N</i>-Ethylbenzhydrylamine Hydrochloride","Acta Crystallographica Section C","1997","53","12","1913","1916","10.1107/S0108270197011359","","","0.71073","MoKα","","0.1071","0.0523","","0.1163","0.0913","","","","1.033","1.062","1.062","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006767","7.3223","0.0007","7.6708","0.0006","13.216","0.001","105.062","0.009","92.139","0.008","110.002","0.009","667.03","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H24 N10 O2 -","- C30 H24 N10 O2 -","- C30 H24 N10 O2 -","1","0.5","BM1161","Nieuwenhuyzen, M.; Keyes, T. E.; Gallagher, J. F.; Vos, J. G.","A 2:1 Co-Crystal of Hydroquinone and 3,5-Bis(2-pyridyl)-1,2,4-triazole","Acta Crystallographica Section C","1997","53","12","1873","1875","10.1107/S0108270197009670","","","0.71073","MoKα","","0.076","0.048","","0.123","0.107","","","","1.036","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006768","18.703","0.002","9.955","0.001","15.016","0.001","90","","122.3","0.01","90","","2363.2","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-4-Nitrophenyl-trans-2-aminocyclohexanol","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C96 H128 N16 O24 -","8","1","BM1172","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan","<i>N</i>-(4-Nitrophenyl)-<i>trans</i>-2-aminocyclohexanol","Acta Crystallographica Section C","1997","53","12","1865","1867","10.1107/S0108270197010159","","","0.71073","MoKα","","0.0971","0.0387","","0.0956","0.08","","","","0.817","1.035","1.035","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006769","9.233","0.001","15.283","0.001","7.448","0.001","90","","98.08","0.01","90","","1040.54","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Amino-1,6-dimethyl-quinol-2-one Monohydrate","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","BM1174","Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan","5-Amino-1,6-dimethyl-1,2-dihydroquinolin-2-one Monohydrate","Acta Crystallographica Section C","1997","53","12","1855","1857","10.1107/S0108270197010767","","","0.71073","MoKα","","0.0502","0.039","","0.1267","0.1208","","","","1.07","1.18","1.18","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006770","6.7468","0.0007","7.4849","0.0008","10.1537","0.001","84.349","0.002","76.61","0.001","74.816","0.002","481.01","0.09","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","catena-aquatri(μ-chloro)tetrahydrofuranlanthanum(III)","","- C4 H10 Cl3 La O2 -","- C4 H9 Cl3 La O2 -","- C8 H18 Cl6 La2 O4 -","2","1","BM1180","Woodman, Timothy J.; Errington, William; Willey, Gerald R.","Polymeric Aquatri-μ-chloro-(tetrahydrofuran-<i>O</i>)lanthanum(III)","Acta Crystallographica Section C","1997","53","12","1801","1803","10.1107/S0108270197011165","","","0.71073","MoKα","","0.0562","0.045","","","","0.1085","","","","","","1.042","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006771","29.896","0.002","4.1678","0.0004","28.487","0.002","90","","117.742","0.002","90","","3141.5","0.4","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[3-(4-Bromophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]acetonitrile","","- C18 H14 Br N3 O -","- C18 H14 Br N3 O -","- C144 H112 Br8 N24 O8 -","8","1","BM1183","Malhotra, Sanjay; Parmar, Virinder S.; Errington, William","[3-(4-Bromophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]acetonitrile","Acta Crystallographica Section C","1997","53","12","1885","1887","10.1107/S0108270197011384","","","0.71073","MoKα","","0.081","0.05","","","","0.112","","","","","","1.156","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006772","7.2909","0.0008","8.8019","0.001","9.5696","0.0011","66.754","0.002","73.835","0.002","77.082","0.002","537.44","0.11","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","5,7-Dimethoxy-6-hydroxy-4-methylcoumarin","","- C12 H12 O5 -","- C12 H12 O5 -","- C24 H24 O10 -","2","1","BM1185","Singh, Amarjit; Kumar, Rajesh; Parmar, Virinder S.; Errington, William","6-Hydroxy-5,7-dimethoxy-4-methylcoumarin","Acta Crystallographica Section C","1997","53","12","1966","1968","10.1107/S0108270197011785","","","0.71073","MoKα","","0.079","0.057","","0.119","0.138","","","","1.15","1.15","1.15","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006773","5.8346","0.0003","12.0877","0.0008","15.0908","0.0009","90","","90","","90","","1064.31","0.11","293","","300","","","","","","","","","4","I m m m","-I 2 2","71","","strontium doped hexa barium hepta magnesium fluoride","","- Ba5.24 F26 Mg7 Sr0.76 -","- Ba5.26 F26 Mg7 Sr0.74 -","- Ba10.52 F52 Mg14 Sr1.48 -","2","0.125","BR1171","Kubel, Frank; Hagemann, Hans; Bill, Hans","Mixed Ba~5.24~Sr~0.76~Mg~7~F~26~","Acta Crystallographica Section C","1997","53","12","1735","1738","10.1107/S0108270197009931","","","1.54183","CuKα","","0.032","0.031","","0.028","0.028","","","","3.756","3.787","3.787","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006774","9.332","0.003","9.332","","11.264","0.002","90","","90","","120","","849.5","0.3","296.2","","296.2","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","tetra calcium platinum(IV) oxide","","- Ca4 O6 Pt -","- Ca4 O6 Pt -","- Ca24 O36 Pt6 -","6","0.166667","BR1172","Claridge, John Bleddyn; Layland, Ralph Charles; zur Loye, Hans-Conrad","Ca~4~PtO~6~","Acta Crystallographica Section C","1997","53","12","1740","1741","10.1107/S0108270197011700","","","0.7107","MoKα","","","0.0424","","","0.0494","","","","","3.282","3.282","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006775","11.1104","0.0002","11.1104","0.0002","11.1104","0.0002","90","","90","","90","","1371.48","0.04","293","","293","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","iron tungsten nitride","","- Fe3 N W3 -","- Fe2.5 N0.5 W6 -","- Fe40 N8 W96 -","16","0.0833333","BR1183","Weil, Kenneth S.; Kumta, Prashant N.","Fe~3~W~3~N: a Rietveld Refinement Using X-ray Powder Diffraction","Acta Crystallographica Section C","1997","53","12","1745","1748","10.1107/S0108270197008305","","","","Cu","","","","","","","","","","1.3907","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006776","6.05098","0.00005","6.05098","0.00005","7.19498","0.00009","90","","90","","120","","228.145","0.004","295","","295","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","zinc dihydroxide divanadate dihydrate","","- H6 O11 V2 Zn3 -","- H2 O10.9998 V2 Zn3 -","- H2 O10.9998 V2 Zn3 -","1","0.0833333","BR1188","Zavalij, Peter Y.; Zhang, Fan; Whittingham, M. Stanley","A New Zinc Pyrovanadate, Zn~3~(OH)~2~V~2~O~7~.2H~2~O, from X-ray Powder Data","Acta Crystallographica Section C","1997","53","12","1738","1739","10.1107/S0108270197009700","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006777","9.515","0.001","12.782","0.001","16.467","0.002","83.94","0.01","88.95","0.01","80.68","0.01","1965.2","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Tricyclohexylphosphinecarbondisulfide Tricyclohexylphosphinodithioformate, tricyclohexylphosphoniodithiocarboxylate, tricyclohexylphosphinemethanedithiolate, tricyclohexylphosphinodithiocarbamate, tricyclohexylphosphoniocarbodithioate,","Tricyclohexylphosphinodithioformate","","- C19 H33 P S2 -","- C19 H33 P S2 -","- C76 H132 P4 S8 -","4","2","BS1026","Vittal, Jagadese J.; Dean, Philip A.W.","Tricyclohexylphosphoniodithioformate","Acta Crystallographica Section C","1997","53","12","1879","1881","10.1107/S0108270197008755","","","0.71073","MoKα","","0.0586","0.0436","","0.1206","0.1139","","","","0.978","1.068","1.068","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006778","8.91","0.002","3.973","0.004","37.261","0.002","90","","92.9","0.01","90","","1317.3","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-cyano-2-p-bromophenyl-1,8a-azulene","1-cyano-2-p-bromophenyl-1,8a-azulene","","- C17 H10 Br N -","- C17 H10 Br N -","- C68 H40 Br4 N4 -","4","1","BS1032","Kaftory, Menahem; Botoshansky, Mark; Daub, Jörg; Mirlach, Albert","1-Cyano-2-<i>p</i>-bromophenylazulene and 2-Azulenylmethyl 2-Anthraquinoate","Acta Crystallographica Section C","1997","53","12","1907","1909","10.1107/S0108270197009839","","","1.54178","CuKα","","0.0579","0.0376","","0.1215","0.1088","","","","1.141","1.191","1.191","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006779","7.441","0.006","41.869","0.006","5.934","0.007","90","","90","","90","","1849","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-azulene-methano-2-anthraquinoate","2-azulene-methano-2-anthraquinoate","","- C26 H16 O4 -","- C26 H16 O4 -","- C104 H64 O16 -","4","1","BS1032","Kaftory, Menahem; Botoshansky, Mark; Daub, Jörg; Mirlach, Albert","1-Cyano-2-<i>p</i>-bromophenylazulene and 2-Azulenylmethyl 2-Anthraquinoate","Acta Crystallographica Section C","1997","53","12","1907","1909","10.1107/S0108270197009839","","","0.71069","MoKα","","0.0836","0.0384","","0.1234","0.0834","","","","1.255","1.045","1.045","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006780","21.3183","0.0005","5.6751","0.0002","22.505","0.0004","90","","90","","90","","2722.73","0.13","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","2","BS1033","Abboud, Khalil A.; Ocampo, Rogelio; Dolbier Jr, William R.","α,α-Difluoro-β-lactone and its Non-Fluorinated Analog","Acta Crystallographica Section C","1997","53","12","1923","1926","10.1107/S0108270197010020","","","0.71073","MoKα","","0.059","0.048","","0.113","0.104","","","","1.08","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006781","6.154","0.001","13.484","0.002","17.732","0.003","90","","90","","90","","1471.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F2 O2 -","- C17 H14 F2 O2 -","- C68 H56 F8 O8 -","4","1","BS1033","Abboud, Khalil A.; Ocampo, Rogelio; Dolbier Jr, William R.","α,α-Difluoro-β-lactone and its Non-Fluorinated Analog","Acta Crystallographica Section C","1997","53","12","1923","1926","10.1107/S0108270197010020","","","0.71073","MoKα","","0.072","0.034","","0.07","0.06","","","","1.05","1.24","1.24","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006782","8.87","0.002","11.956","0.003","13.699","0.003","90","","103.48","0.02","90","","1412.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H26 Cr N9 S4 -","- C20 H26 Cr N9 S4 -","- C40 H52 Cr2 N18 S8 -","2","0.5","BS1039","María Teresa Garland; Ricardo F. Baggio; Florence Berezovsky; Jean Sala Pala","A Chromium(III) 2,2'-Bipyrimidine (bipym) Complex, (Et~4~N)[Cr(NCS)~4~(bipym)]","Acta Crystallographica Section C","1997","53","12","1803","1805","10.1107/S0108270197010858","","","0.71073","MoKα","","0.0809","0.046","","0.1467","0.1062","","","","0.982","0.999","0.999","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006783","11.578","0.005","22.385","0.01","13.062","0.006","90","","104.21","0.04","90","","3282","3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-di-(ethoxy-ethoxy-methoxy)calix[4]arene","","- C38 H44 O8 -","- C38 H44 O8 -","- C152 H176 O32 -","4","1","CF1134","Guelzim, Abdelhalim; Khrifi, Saâd; Baert, Francois; Saadioui, Mohamed; Asfari, Zouhair; Vicens, Jacques","1,3-Di(ethoxy-ethoxy-methoxy)calix[4]arene","Acta Crystallographica Section C","1997","53","12","1958","1960","10.1107/S0108270197007105","","","0.7107","MoKα","","0.1157","0.0679","","0.0636","0.0591","","","","1.897","2.295","2.295","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006784","7.288","0.002","10.287","0.007","5.071","0.003","90","","90","","90","","380.2","0.4","103","","103","","","","","","","","","3","P n m a","-P 2ac 2n","62","pyrrole","1-aza-cyclopentadiene","","- C4 H5 N -","- C4 H5 N -","- C16 H20 N4 -","4","0.5","CF1172","Richard Goddard; Oliver Heinemann; Carl Krüger","Pyrrole and a Co-crystal of 1<i>H</i>- and 2<i>H</i>-1,2,3-Triazole","Acta Crystallographica Section C","1997","53","12","1846","1850","10.1107/S0108270197009682","","","0.71069","MoKα","","0.0815","0.0584","","0.1509","0.1436","","","","0.97","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006785","9.3307","0.0001","19.372","0.003","3.6982","0.0009","90","","90","","90","","668.47","0.19","193","","193","","","","","","","","","3","A m a 2","A 2 -2a","40","1,2,3-triazole","1H-1,2,3-triazole 2H-1,2,3-triazole cocrystal","","- C4 H6 N6 -","- C4 H6 N6 -","- C16 H24 N24 -","4","0.5","CF1172","Richard Goddard; Oliver Heinemann; Carl Krüger","Pyrrole and a Co-crystal of 1<i>H</i>- and 2<i>H</i>-1,2,3-Triazole","Acta Crystallographica Section C","1997","53","12","1846","1850","10.1107/S0108270197009682","","","0.71069","MoKα","","0.0637","0.0588","","0.1681","0.1624","","","","1.14","1.157","1.157","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006786","8.779","0.001","9.942","0.002","12.385","0.002","71.84","0.01","74.2","0.01","87.29","0.01","987.5","0.3","110","3","110","3","","","","","","","","5","P -1","-P 1","2","1,4,8,11-(tetra-2-carboxyethyl)-1,4,8,11-tetraazacyclotetradecane (H~2~TETP)^2-^, 2Na^+^.16H~2~O","H2TETP","","- C22 H70 N4 Na2 O24 -","- C22 H70 N4 Na2 O24 -","- C22 H70 N4 Na2 O24 -","1","0.5","CF1178","Valérie Dahaoui-Gindrey; Slimane Dahaoui; Claude Lecomte; Frédéric Barbette; Roger Guilard","Disodium Hexadecahydrate Diprotonated Form of 1,4,8,11-Tetra(2-carboxy)ethyl-1,4,8,11-tetraazacyclotetradecane (H~2~TETP)^2{-^} at 110 K","Acta Crystallographica Section C","1997","53","12","1797","1799","10.1107/S0108270197009694","","","0.7107","MoKα","","","0.03","","","0.036","","","","","1.59","1.59","","","","","has coordinates","191095","2020-10-21","18:00:00",""
"2006787","6.286","0.002","7.698","0.002","18.144","0.005","90.65","0.02","91.92","0.03","96.51","0.03","871.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","α-Cyclohexyl-β-Methoxycarbonyl-γ-Lactame","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C38 H50 N2 O6 -","2","1","CF1182","Ben Amor, Fatma; Beltaif, Imen; Besbes, Rafâa; Amri, Hassen","Methyl 1-Benzyl-3-cyclohexyl-2-oxopyrrolidine-2-carboxylate","Acta Crystallographica Section C","1997","53","12","1919","1921","10.1107/S0108270197010287","","","0.7107","MoKα","","0.1045","0.0532","","0.1503","0.1219","","","","1.055","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006788","15.005","0.005","6.829","0.005","17.749","0.005","90","0.005","102.25","0.005","90","0.005","1777.3","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 F3 N O3 P -","- C15 H19 F6 N O3 P -","- C60 H76 F24 N4 O12 P4 -","4","1","CF1184","Benniston, Andrew C.; Yufit, Dmitrii S.; Mackie, Philip R.","A π-Stacked Complex Between 4,4'-Dimethyl-4,4'-bipyridinium Bis(hexafluorophosphate) and 1,5-Bis[(hydroxyethoxy)ethoxy]naphthalene","Acta Crystallographica Section C","1997","53","12","1899","1901","10.1107/S0108270197011438","","","0.71069","MoKα","","0.19","0.0761","","0.2796","0.2026","","","","1.032","1.178","1.178","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006789","5.3861","0.0006","11.141","0.0011","27.411","0.003","90","","93.433","0.008","90","","1641.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-8-hydroxy-9-phenylthio-7,8,9,10-tetrahydro-7,8-benzocoumarin","","- C20 H18 O3 S -","- C20 H18 O3 S -","- C80 H72 O12 S4 -","4","1","CF1193","Senthil Kumar; Kandasamy Chinnakali; Kandasamy Sivakumar; Hoong-Kun Fun; Kamaraj Sriraghavan","8-Hydroxy-4-methyl-9-phenylthio-7,8,9,10-tetrahydro-7,8-benzocoumarin","Acta Crystallographica Section C","1997","53","12","1854","1855","10.1107/S0108270197011451","","","0.71073","MoKα","","0.055","0.038","","0.118","0.102","","","","1.032","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006790","10.092","0.011","10.514","0.011","12.415","0.014","70.53","0.08","71.81","0.08","61.85","0.07","1076","2","293","","293","","","","","","","","","7","P -1","-P 1","2","","Chloro-bis(2,6-dimethyl piperidino)phosphoramide trichloroantimonate","","- C14 H28 Cl4 N2 O P Sb -","- C14 H28 Cl4 N2 O P Sb -","- C28 H56 Cl8 N4 O2 P2 Sb2 -","2","1","DE1057","Vijjulatha, M.; Kumara Swamy, K. C.; Huch, Volker; Veith, Michael","The 1:1 Antimony Trichloride Adduct of Chlorobis(2,6-dimethylpiperidin-1-yl)phosphine Oxide","Acta Crystallographica Section C","1997","53","12","1789","1791","10.1107/S0108270197009487","","","0.71073","MoKα","","0.0342","0.0322","","0.0867","0.0853","","","","","1.147","1.147","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006791","8.819","0.001","15.244","0.002","6.828","0.002","90","","90","","90","","917.9","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Structure d'un Monophosphate synthétique de Magnésium et de Sodium: MgNaPO~4~","","- Mg3 Na3 O12 P3 -","- Mg3 Na3 O12 P3 -","- Mg12 Na12 O48 P12 -","4","1","DU1170","Imura, Hiroshi; Kawahara, Akira","Structure d'un Monophosphate Synthétique de Magnésium et de Sodium: Mg~3~Na~3~(PO~4~)~3~","Acta Crystallographica Section C","1997","53","12","1733","1735","10.1107/S0108270197003211","","","0.7107","MoKα","","","0.055","","","0.046","","","","","1.26","1.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006792","14.2087","0.0001","20.3168","0.0003","19.8322","0.0002","90","","110.085","0.0001","90","","5376.89","0.1","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexa[2,4,6-tri(isopropyl)thiophenolatogold(I)] Diethyl Ether Solvate","","- C94 H148 Au6 O S6 -","- C90 H138 Au6 S6 -","- C180 H276 Au12 S12 -","2","0.5","FG1278","LeBlanc, Daren J.; Lock, Colin J.L.","<i>cyclo</i>-Hexakis[(2,4,6-triisopropylthiophenolato-<i>S</i>:<i>S</i>)gold(I)] Diethyl Ether Solvate","Acta Crystallographica Section C","1997","53","12","1765","1768","10.1107/S010827019700930X","","","0.71073","MoKα","","0.1142","0.0533","","0.1049","0.09","","","","1.006","1.173","1.173","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006793","16.907","0.006","12.543","0.004","20.86","0.007","90","","117.89","0.03","90","","3910","3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","36,37,38-Trimethoxy-5,10,15-trimethyl-22,25,30,33-tetraoxa-1,19-diazapentacyclo [17.8.8.1^3,7^.1^8,12^.1^13,17^]octatriaconta-3,5,7(36),8,10,12(37),13,15, 17(38)-nonaene sodium thiocyanate clathrate","","- C39 H52 N3 Na O7 S -","- C39 H52 N3 Na O7 S -","- C156 H208 N12 Na4 O28 S4 -","4","1","FG1279","Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng","Three Complexes of a [2.2]Cryptahemispherand","Acta Crystallographica Section C","1997","53","12","1822","1827","10.1107/S0108270197009530","","","0.71073","MoKα","","0.0951","0.0548","","0.1516","0.1354","","","","1.064","1.201","1.201","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006794","13.921","0.012","11.397","0.011","25.53","0.02","90","","101.74","0.02","90","","3966","6","156","","156","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","36,37,38-Trimethoxy-5,10,15-trimethyl-22,25,30,33-tetraoxa-1,19-diazapentacyclo [17.8.8.1^3,7^.1^8,12^.1^13,17^]octatriaconta-3,5,7(36),8,10,12(37),13,15, 17(38)-nonaene potassium thiocyanate monohydrate","","- C39 H54 K N3 O8 S -","- C39 H54 K N3 O8 S -","- C156 H216 K4 N12 O32 S4 -","4","1","FG1279","Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng","Three Complexes of a [2.2]Cryptahemispherand","Acta Crystallographica Section C","1997","53","12","1822","1827","10.1107/S0108270197009530","","","0.71073","MoKα","","0.2244","0.0642","","0.2179","0.13","","","","1.056","1.108","1.108","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006795","11.252","0.01","14.272","0.013","25.99","0.02","90","","104.72","0.02","90","","4037","6","156","","156","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","36,37,38-Trimethoxy-5,10,15-trimethyl-22,25,30,33-tetraoxa-1,19-diazapentacyclo [17.8.8.1^3,7^.1^8,12^.1^13,17^]octatriaconta-3,5,7(36),8,10,12(37),13,15, 17(38)-nonaene cesium perchlorate monohydrate C38 H52 Cs1 N2 O7 1+,Cl1 O4 1-,H2 O1","","- C38 H54 Cl Cs N2 O12 -","- C38 H54 Cl Cs N2 O12 -","- C152 H216 Cl4 Cs4 N8 O48 -","4","1","FG1279","Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng","Three Complexes of a [2.2]Cryptahemispherand","Acta Crystallographica Section C","1997","53","12","1822","1827","10.1107/S0108270197009530","","","0.71073","MoKα","","0.164","0.0686","","0.2265","0.1648","","","","1.04","1.068","1.068","","","","","has coordinates,has disorder","194538","2020-10-21","18:00:00",""
"2006796","21.21","0.009","14.745","0.006","11.807","0.005","90","","90","","90","","3693","3","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","(33,34,35-Trimethoxy-5,10,15-trimethyl-22,25,30-trioxa-1,19-diazapentacyclo [17.5.5.1^3,7^,1^8,12^.1^13,17^] pentatriaconta-3,5,7(35),8,10,12(34),13,15,17(33)-nonaene potassium thiocyanate","","- C37 H48 K N3 O6 S -","- C37 H48 K N3 O6 S -","- C148 H192 K4 N12 O24 S4 -","4","0.5","FG1280","Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Ho, Siew Peng","A K^+^ Complex of a [2.1]Cryptahemispherand at 295K","Acta Crystallographica Section C","1997","53","12","1832","1834","10.1107/S0108270197009542","","","0.7107","MoKα","","0.1167","0.0755","","0.2207","0.2016","","","","1.071","1.228","1.228","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006797","7.835","0.0014","37.23","0.008","11.318","0.003","90","0.02","90","0.02","90","0.02","3301.4","1.3","117","2","117","2","","","","","","","","4","P n a 21","P 2c -2n","33","","33,34,35-Trimethoxy-5,10,15-trimethyl-22,25,30-trioxa-1,19-diazapentacyclo(17.8 .5.1^3,7^,1^8,12^.1^13,17^)pentatriaconta-3,5,7(35),8,10,12(34),13,15,17(3 3)-nonaene-2,18-dione C36 H44 N2 O8","","- C36 H44 N2 O8 -","- C36 H44 N2 O8 -","- C144 H176 N8 O32 -","4","1","FG1281","Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng","Two Isomeric [2.1]Cryptahemispherand Diamides","Acta Crystallographica Section C","1997","53","12","1835","1838","10.1107/S0108270197009554","","","0.71073","MoKα","","0.0781","0.061","","0.1616","0.1462","","","","1.05","1.086","1.086","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006798","16.055","0.004","15.37","0.004","14.64","0.003","90","0.02","90","0.02","90","0.02","3612.6","1.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","33,34,35-Trimethoxy-5,10,15-trimethyl-22,25,30-trioxa-1,19-diazapentacyclo [17.8.5.1^3,7^,1^8,12^.1^13,17^] pentatriaconta-3,5,7(35),8,10,12(34),13,15,17(33)-nonaene-2,18-dione)","","- C36 H44 N2 O8 -","- C36 H44 N2 O8 -","- C144 H176 N8 O32 -","4","0.5","FG1281","Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng","Two Isomeric [2.1]Cryptahemispherand Diamides","Acta Crystallographica Section C","1997","53","12","1835","1838","10.1107/S0108270197009554","","","1.54184","CuKα","","0.0687","0.0601","","0.1724","0.1616","","","","1.056","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006799","19.919","0.002","14.725","0.002","21.387","0.002","90","","111.85","0.003","90","","5822.3","1.1","295","","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","30,31,32-trimethoxy-5,10,15- trimethyl-22,27-dioxa-1,19-diazapentacyclo[17.5.5.1^3,7^.1^8,12^.1^13,17^]do triaconta-3,5,7(32),8,10,12(31),13,15,17(30)-nonaene sodium tetraphenylborate C34 H44 N2 Na1 O5 1+,C24 H20 B1 1-","","- C58 H64 B N2 Na O5 -","- C58.8 H64 B Cl0.6 N2 Na O5.5 -","- C235.2 H256 B4 Cl2.4 N8 Na4 O22 -","4","1","FG1282","Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Ho, Siew Peng","An Na^+^ Complex and a Bis-BH~3~ Complex of a [1.1]Cryptahemispherand","Acta Crystallographica Section C","1997","53","12","1827","1832","10.1107/S0108270197009566","","","0.71073","MoKα","","0.272","0.117","","0.388","0.324","","","","1.016","1.446","1.446","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006800","15.605","0.011","15.799","0.007","15.023","0.007","90","0.04","94.43","0.05","90","0.05","3693","4","115","2","115","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","hexahydro-{(30,31,32-trimethoxy-5,10,15- trimethyl-22,27-dioxa-1,19-diazapentacyclo[17.5.5.1^3,7^.1^8,12^.1^13,17^] dotriaconta-3,5,7(32),8,10,12(31),13,15,17(30)-nonaene-N^1^:N^19^)} -di-boron (CH~2~Cl~2~ solvate)","","- C34.5 H51 B2 Cl N2 O5 -","- C34.51 H49.74 B2 Cl1.02 N2 O5 -","- C138.04 H198.96 B8 Cl4.08 N8 O20 -","4","1","FG1282","Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Ho, Siew Peng","An Na^+^ Complex and a Bis-BH~3~ Complex of a [1.1]Cryptahemispherand","Acta Crystallographica Section C","1997","53","12","1827","1832","10.1107/S0108270197009566","","","0.71073","MoKα","","0.135","0.077","","0.183","0.158","","","","1.034","1.193","1.193","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006801","11.5345","0.0001","13.7765","0.0002","15.1022","0.0001","90","","90","","90","","2399.82","0.04","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Piperidinium Bis(azido)triphenylstannates","","- C23 H27 N7 Sn -","- C23 H27 N7 Sn -","- C92 H108 N28 Sn4 -","4","1","FG1297","Wharf, Ivor; Wojtowski, Ryszard; Onyszchuk, Mario; Simard, Michel G.","Piperidinium Diazidotriphenylstannate and Quinuclidinium Diazidotriphenylstannate","Acta Crystallographica Section C","1997","53","12","1791","1794","10.1107/S010827019700958X","","","0.71073","MoKα","","0.0321","0.0247","","0.0514","","0.0484","","","1.069","","","1.066","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006802","27.1533","0.0004","9.9162","0.0002","19.0714","0.0001","90","","98.284","0.001","90","","5081.54","0.13","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Quinuclidinium bis(azido)triphenylstannates","","- C25 H29 N7 Sn -","- C25 H29 N7 Sn -","- C200 H232 N56 Sn8 -","8","2","FG1297","Wharf, Ivor; Wojtowski, Ryszard; Onyszchuk, Mario; Simard, Michel G.","Piperidinium Diazidotriphenylstannate and Quinuclidinium Diazidotriphenylstannate","Acta Crystallographica Section C","1997","53","12","1791","1794","10.1107/S010827019700958X","","","0.71073","MoKα","","0.0696","0.0402","","0.1101","","0.088","","","1.091","","","1.047","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006803","6.437","0.0007","9.3798","0.0012","12.0427","0.0009","90","","90","","90","","727.11","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-Deoxy-D-fructose","3-Deoxy-D-erythro-hexulose","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","FG1300","Szarek, Walter A.; Roszak, Aleksander W.; Crone, Giselle M.; Martin, Olivier R.","3-Deoxy-<small>D</small>-fructose","Acta Crystallographica Section C","1997","53","12","1921","1923","10.1107/S0108270197009311","","","0.71069","MoKα","","0.045","0.036","","0.092","0.082","","","","0.919","0.919","0.919","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006804","7.641","0.003","16.534","0.001","18.569","0.002","90","","90","","90","","2345.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 3β-bromine-7α-hydroxy-5β-cholan-24-oate","","- C25 H41 Br O3 -","- C25 H41 Br O3 -","- C100 H164 Br4 O12 -","4","1","FG1305","Dago Morales, Angel; Pomés Hernández, Ramón; Coll Manchado, Francisco; Pérez Gil, Roxana; Punte, Graciela; Echeverría, Gustavo","Methyl 3β-Bromine-7α-hydroxy-5β-cholan-24-oate","Acta Crystallographica Section C","1997","53","12","1881","1883","10.1107/S0108270197007464","","","0.71069","MoKα","","0.2017","0.0501","","0.1271","0.0771","","","","1.169","1.169","1.169","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006805","11.1451","0.0012","12.5674","0.0008","15.5207","0.0012","95.374","0.008","105.384","0.008","92.095","0.009","2082.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","diperylenium(1+) bis[1,4-dihydro-2,3-quinoxalinedithionato(2)S,S^'^]cuprate(III)","","- C56 H32 Cu N4 S4 -","- C56 H32 Cu N4 S4 -","- C112 H64 Cu2 N8 S8 -","2","1","FG1309","Santos, Isabel C.; Ayllon, José A.; Henriques, Rui T.; Almeida, Manuel; Alcácer, Luís; Duarte, M. Teresa","A New Perylene Salt: Diperylenium(1+) Bis[quinoxaline-2,3-dithiolato(2 ‒)-<i>S</i>,<i>S</i>']cuprate(III)","Acta Crystallographica Section C","1997","53","12","1768","1770","10.1107/S0108270197007919","","","0.71069","MoKα","","0.2108","0.0549","","0.147","0.0861","","","","1.128","1.095","1.095","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006806","12.786","0.002","10.29","0.002","13.095","0.002","90","","118.7","0.01","90","","1511.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Famphur","O,O-Dimethyl-O-(p-(N,N-dimethylsulfamoyl)phenyl)phosphorothioate","","- C10 H16 N O5 P S2 -","- C10 H16 N O5 P S2 -","- C40 H64 N4 O20 P4 S8 -","4","1","FG1316","Baughman, Russell G.","Organophosphorus Insecticides. 18. Famphur: <i>O</i>,<i>O</i>-Dimethyl <i>O</i>-[<i>p</i>-(<i>N</i>,<i>N</i>-Dimethylsulfamoyl)phenyl] Phosphorothioate","Acta Crystallographica Section C","1997","53","12","1928","1929","10.1107/S0108270197011189","","","0.71073","MoKα","","0.068","0.044","","0.125","0.109","","","","1.052","1.099","1.099","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006807","10.955","0.002","11.186","0.002","6.221","0.002","97.13","0.02","100.69","0.02","79.52","0.02","733.4","0.3","170","1","170","1","","","","","","","","4","P -1","-P 1","2","","5(R),7-(1(S)-hydroxybenzyl)-6-methyl-4-oxa-1-thiaspiro[5.4]dec-6-ene","","- C16 H20 O2 S -","- C16 H20 O2 S -","- C32 H40 O4 S2 -","2","1","FG1317","Parvez, Masood; Jeyaraj, Duraiswamy A.; Yadav, Veejendra K.","Oxa-thia-spiro-decene Derivatives","Acta Crystallographica Section C","1997","53","12","1961","1963","10.1107/S0108270197009591","","","0.71069","MoKα","","0.0764","0.0459","","0.1529","0.1219","","","","1.001","1.009","1.009","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006808","6.62","0.003","11.322","0.003","12.297","0.003","90","","103.52","0.03","90","","896.1","0.5","200","1","200","1","","","","","","","","4","P 1 21 1","P 2yb","4","","7-(1'-2-hydroxypropyl)-6-methyl-4-oxa-1-thiaspiro[5.4]dec-6-enyl p-methoxy benzoate","","- C19 H24 O4 S -","- C19 H24 O4 S -","- C38 H48 O8 S2 -","2","1","FG1317","Parvez, Masood; Jeyaraj, Duraiswamy A.; Yadav, Veejendra K.","Oxa-thia-spiro-decene Derivatives","Acta Crystallographica Section C","1997","53","12","1961","1963","10.1107/S0108270197009591","","","0.71069","MoKα","","0.1169","0.0538","","0.232","0.14","","","","1.128","1.192","1.192","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006809","7.065","0.002","7.199","0.001","9.726","0.002","105.61","0.01","103.46","0.01","99.61","0.01","449.21","0.17","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","2,4,5-trimethylbenzoic acid","","- C10 H12 O2 -","- C10 H12 O2 -","- C20 H24 O4 -","2","1","FG1324","Barcon, Alan; Coté, Marie L.; Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","2,4,5-Trimethylbenzoic Acid","Acta Crystallographica Section C","1997","53","12","1842","1845","10.1107/S0108270197009335","","","0.71073","MoKα","","0.092","0.05","","0.149","0.122","","","","1.025","1.106","1.106","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2006810","8.151","0.001","13.426","0.002","8.344","0.002","90","","116.04","0.01","90","","820.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(+\-)-3-Oxoindanecarboxylic Acid","(+\-)-2,3-Dihydro-3-oxo-1H-indenecarboxylic Acid","","- C10 H8 O3 -","- C10 H8 O3 -","- C40 H32 O12 -","4","1","FG1331","Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W.","(±)-2,3-Dihydro-3-oxo-1<i>H</i>-indenecarboxylic Acid: Hydrogen-Bonding Patterns in a γ-Keto Acid and its Monohydrate","Acta Crystallographica Section C","1997","53","12","1838","1842","10.1107/S0108270197009608","","","0.71073","MoKα","","0.098","0.056","","0.147","0.124","","","","1.03","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006811","5.984","0.001","7.763","0.001","11.086","0.001","107.29","0.01","105.32","0.01","93.12","0.01","469.27","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","(+\-)-3-Oxoindanecarboxylic Acid Monohydrate","(+\-)-2,3-Dihydro-3-oxo-1H-indenecaboxylic Acid Monohydrate","","- C10 H10 O4 -","- C10 H10 O4 -","- C20 H20 O8 -","2","1","FG1331","Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W.","(±)-2,3-Dihydro-3-oxo-1<i>H</i>-indenecarboxylic Acid: Hydrogen-Bonding Patterns in a γ-Keto Acid and its Monohydrate","Acta Crystallographica Section C","1997","53","12","1838","1842","10.1107/S0108270197009608","","","0.71073","MoKα","","0.121","0.056","","0.15","0.117","","","","1.03","1.148","1.148","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006812","9.0207","0.0006","10.1127","0.0008","10.5364","0.001","90","","111.809","0.006","90","","892.38","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Ethyl-3-hydroxy-4,4-dimethyl-pyrrolidone-2","","- C8 H15 N O2 -","- C8 H15 N O2 -","- C32 H60 N4 O8 -","4","1","FG1349","Hollenberg, Niels; Grahn, Walter; Jones, Peter G.","1-Ethyl-3-hydroxy-4,4-dimethyl-2-pyrrolidone","Acta Crystallographica Section C","1997","53","12","1851","1852","10.1107/S0108270197009347","","","0.71073","MoKα","","0.047","0.037","","0.103","0.099","","","","1.05","1.131","1.131","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006813","7.3743","0.0009","6.6684","0.0007","14.1803","0.0011","90","","95.074","0.009","90","","694.58","0.12","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","(5aS,7S)-7-Isopropenyl-3-methyl-1H-5a,6,7,8,9-pentahydro-1- oxopyrano[4,3-b][1]benzopyran","","- C16 H18 O3 -","- C16 H18 O3 -","- C32 H36 O6 -","2","1","FG1352","Hua, Duy H.; Chen, Yi; Robinson, Paul D.; Meyers, Cal Y.","(5a<i>S</i>,7<i>S</i>)-7-Isopropenyl-3-methyl-5a,6,8,9-tetrahydro-1<i>H</i>,7<i>H</i>-pyrano[4,3-<i>b</i>][1]benzopyran-1-one","Acta Crystallographica Section C","1997","53","12","1995","1997","10.1107/S0108270197011220","","","0.71069","MoKα","","0.1022","0.0378","","0.1151","","0.0891","","","1.026","1.128","1.128","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006814","5.3498","0.0011","19.754","0.003","11.665","0.002","90","","93.97","0.02","90","","1229.8","0.4","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Aza-4-azoniabicyclo[2.2.2]octane Di(methanesulfonyl)amide","","- C8 H19 N3 O4 S2 -","- C8 H19 N3 O4 S2 -","- C32 H76 N12 O16 S8 -","4","1","FG1353","Henschel, Dagmar; Moers, Oliver; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. XCII. 1-Aza-4-azoniabicyclo[2.2.2]octane Di(methanesulfonyl)amidate","Acta Crystallographica Section C","1997","53","12","1877","1879","10.1107/S0108270197011633","","","0.71073","MoKα","","0.066","0.045","","0.117","0.103","","","","1.033","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006815","8.2035","0.0016","15.747","0.003","13.842","0.003","90","","93.638","0.016","90","","1784.5","0.6","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1,2-Benzenedisulfonylimido-O)(1,4,7,10-tetraoxacyclododecane)lithium","","- C14 H20 Li N O8 S2 -","- C14 H20 Li N O8 S2 -","- C56 H80 Li4 N4 O32 S8 -","4","1","FG1354","Jones, Peter G.; Moers, Oliver; Blaschette, Armand","Polysulfonylamines. XCIII. (1,2-Benzenedisulfonylimido-<i>O</i>)(1,4,7,10-tetraoxacyclododecane-κ^4^<i>O</i>)lithium","Acta Crystallographica Section C","1997","53","12","1809","1811","10.1107/S0108270197011232","","","0.71073","MoKα","","0.045","0.0349","","0.0851","0.0787","","","","1.05","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006816","21.903","0.004","10.449","0.0014","10.1168","0.0014","90","","107.298","0.012","90","","2210.7","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(diphenylphosphino)methane Diselenide","","- C25 H22 P2 Se2 -","- C25 H22 P2 Se2 -","- C100 H88 P8 Se8 -","4","0.5","FG1358","Ahrens, Birte; Jones, Peter G.","A New Modification of Bis(diphenylphosphino)methane Diselenide","Acta Crystallographica Section C","1997","53","12","1852","1854","10.1107/S0108270197011463","","","0.71073","MoKα","","0.0587","0.0369","","0.0936","0.0884","","","","0.925","1.044","1.044","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006817","7.372","0.005","7.688","0.005","10.76","0.008","83.56","0.05","81.6","0.04","67.46","0.04","556.2","0.7","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","1,2-Benzenedisulfonylamine Acetonitrile Solvate (1/1)","","- C8 H8 N2 O4 S2 -","- C8 H8 N2 O4 S2 -","- C16 H16 N4 O8 S4 -","2","1","FG1377","Jones, Peter G.; Wirth, Andreas; Moers, Oliver; Blaschette, Armand","Polysulfonylamines. XCVIII. 1,2-Benzenedisulfonylamine Acetonitrile Solvate (1/1)","Acta Crystallographica Section C","1997","53","12","1897","1899","10.1107/S0108270197012080","","","0.71073","MoKα","","0.0452","0.0358","","0.0901","0.0844","","","","1.071","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006818","11.645","0.002","11.645","0.002","38.273","0.008","90","","90","","120","","4494.7","1.4","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","Monoammonium bis(D-penicillaminato-S)aurate(I) 3.667 hydrate","","- C10 H31.333 Au N3 O7.667 S2 -","- C10 H31.3333 Au N3 O7.66667 S2 -","- C90 H282 Au9 N27 O69 S18 -","9","0.5","FR1038","LeBlanc, Daren J.; Britten, James F.; Wang, Zhixian; Howard-Lock, Helen E.; Lock, Colin J.L.","Monoammonium Bis(<small>D</small>-penicillaminato-<i>S</i>)aurate(I) 3.667-Hydrate","Acta Crystallographica Section C","1997","53","12","1763","1765","10.1107/S0108270197009724","","","0.56086","AgKα","","0.0347","0.0277","","0.0598","0.0581","","","","0.995","1.031","1.031","","","","","has coordinates,has disorder","187340","2020-10-21","18:00:00",""
"2006819","7.996","0.001","20.776","0.002","9.761","0.001","90","","101.32","0.01","90","","1590","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2'-hydroxy-4-N-methylstilbazonium iodide methanol solvate","1-methyl-4-(2-(2-hydroxyphenyl)vinyl)pyridium iodide methanol solvate","","- C15 H18 I N O2 -","- C15 H18 I N O2 -","- C60 H72 I4 N4 O8 -","4","1","FR1059","Zhang, De-Chun; Zhang, Tian-Zhu; Zhang, Yan-Qiu; Fei, Zheng-Hao; Yu, Kai-Bei","2'-Hydroxy-4-<i>N</i>-methylstilbazonium Iodide Methanol Solvate, C~14~H~14~NO^+^.I^{-^}.CH~3~OH","Acta Crystallographica Section C","1997","53","12","1895","1897","10.1107/S0108270197010342","","","0.71073","MoKα","","0.044","0.027","","0.065","0.061","","","","0.989","1.128","1.128","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006820","8.584","0.001","16.066","0.003","16.097","0.002","90","","92.93","0.01","90","","2217","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl 3',6'-bis(chloromethyl)-2,2'-dimethoxy-1,1'-binaphthalene-3-carboxylate","","- C26 H22 Cl2 O4 -","- C26 H22 Cl2 O4 -","- C104 H88 Cl8 O16 -","4","1","FR1060","Pakhomova, Svetlana; Kratochvíl, Bohumil; Lellek, Vít; Stibor, Ivan","Methyl 3',6'-Bis(chloromethyl)-2,2'-dimethoxy-1,1'-binaphthalene-3-carboxylate","Acta Crystallographica Section C","1997","53","12","1871","1873","10.1107/S0108270197010172","","","1.54187","CuKα","","0.0718","0.0664","","0.2026","0.1892","","","","1.054","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006821","6.105","0.0006","6.252","0.0006","14.547","0.001","90","0.009","90","0.009","90","0.009","555.24","0.09","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 N O -","- C6 H7 N O -","- C24 H28 N4 O4 -","4","1","FR1062","Suchod, Bernadette; Lajzerowicz, Janine; Collet, André","({-})-2-Azabicyclo[2.2.1]hept-5-en-3-one (Lactam)","Acta Crystallographica Section C","1997","53","12","1911","1912","10.1107/S0108270197011311","","","0.71073","MoKα","","0.057","0.057","","0.028","0.028","","","","3.274","3.274","3.274","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006822","8.584","0.002","8.893","0.002","13.851","0.003","106.94","0.02","101.9","0.02","96.5","0.02","972.6","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","1,4,5,8-naphthalenetetracarboxylic acid cyclic 1,8-anhydride . 2 dimethyl sulfoxide","","","- C18 H18 O9 S2 -","- C18 H18 O9 S2 -","- C36 H36 O18 S4 -","2","1","FR1073","Blackburn, Anthony C.; Fitzgerald, Lawrence J.; Gerkin, Roger E.","1,4,5,8-Naphthalenetetracarboxylic Acid Cyclic 1,8-Anhydride Bis(dimethyl sulfoxide) Solvate and 1,4,5,8-Naphthalenetetracarboxylic 1,8:4,5-Dianhydride","Acta Crystallographica Section C","1997","53","12","1991","1995","10.1107/S0108270197011712","","","0.7093","MoKα","","","0.052","","","","0.04","","","","","","2.09","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006823","7.88","0.002","5.322","0.001","12.6012","0.0009","90","","107.257","0.009","90","","504.67","0.17","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4,5,8-naphthalenetetracarboxylic-1,8:4,5-dianhydride","","","- C14 H4 O6 -","- C14 H4 O6 -","- C28 H8 O12 -","2","0.5","FR1073","Blackburn, Anthony C.; Fitzgerald, Lawrence J.; Gerkin, Roger E.","1,4,5,8-Naphthalenetetracarboxylic Acid Cyclic 1,8-Anhydride Bis(dimethyl sulfoxide) Solvate and 1,4,5,8-Naphthalenetetracarboxylic 1,8:4,5-Dianhydride","Acta Crystallographica Section C","1997","53","12","1991","1995","10.1107/S0108270197011712","","","0.71073","MoKα","","","0.051","","","","0.053","","","","","","1.79","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006824","8.48","0.001","9.336","0.001","11.187","0.001","90","","98.351","0.002","90","","876.28","0.16","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(±)-cis-2-phenylcyclopropanecarboxylic acid","(±)-cis-2-phenylcyclopropanecarboxylic acid","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","1","FR1081","Gerkin, Roger E.","Hydrogen Bonding and Ring Asymmetry in (±)-<i>cis</i>-2-Phenylcyclopropanecarboxylic Acid","Acta Crystallographica Section C","1997","53","12","1989","1991","10.1107/S0108270197011104","","","0.71073","MoKα","","","0.06","","","","0.08","","","","","","1.39","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006825","18.012","0.002","18.039","0.002","7.579","0.001","90","","90","","90","","2462.6","0.5","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,4-dimethoxynaphthalene-2,5-dicarboxylic acid","1,4-dimethoxynaphthalene-2,5-dicarboxylic acid","","- C14 H12 O6 -","- C14 H12 O6 -","- C112 H96 O48 -","8","1","FR1083","Gerkin, Roger E.","5,8-Dimethoxynaphthalene-1,6-dicarboxylic Acid","Acta Crystallographica Section C","1997","53","12","1987","1989","10.1107/S0108270197011475","","","0.71073","MoKα","","","0.065","","","","0.059","","","","","","1.58","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006826","18.9237","0.0002","18.9167","0.0002","8.7226","0.0001","90","","90","","90","","3122.46","0.06","143","","143","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","[Bis-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)]-methane","","- C17 H24 O4 -","- C17 H24 O4 -","- C136 H192 O32 -","8","1","HA1194","Bolte, Michael; Scholtyssik, Maria","A Tetragonal-Looking But Twinned Orthorhombic Structure","Acta Crystallographica Section C","1997","53","12","1869","1871","10.1107/S0108270197009438","","","0.71073","MoKα","","0.034","0.033","","0.092","0.091","","","","1.062","1.072","1.072","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006827","6.025","0.001","10.519","0.001","9.584","0.001","90","","105.91","0.01","90","","584.14","0.13","102","","102","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis-(trimethylsilyl)acetylene","","- C8 H18 Si2 -","- C8 H18 Si2 -","- C16 H36 Si4 -","2","0.5","JZ1194","Joachim Bruckmann; Carl Krüger","Bis(trimethylsilyl)acetylene","Acta Crystallographica Section C","1997","53","12","1845","1846","10.1107/S0108270197005684","","","0.71069","MoKα","","0.0484","0.0454","","0.1277","0.1244","","","","1.098","1.117","1.117","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006828","8.7652","0.001","7.8844","0.001","9.64","0.002","90","","91.468","0.01","90","","665.99","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B5 Cd La O10 -","- B5 Cd La O10 -","- B20 Cd4 La4 O40 -","4","1","JZ1197","Wiesch, Andre; Bluhm, Karsten","The First Cadmium Rare Earth Borates CdLn[B~5~O~10~] with Ln = La, Sm, Eu","Acta Crystallographica Section C","1997","53","12","1730","1733","10.1107/S0108270197008202","","","0.71069","MoKα","","0.0382","0.0245","","0.061","0.0585","","","","1.045","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006829","8.588","0.003","7.8819","0.0014","9.583","0.002","90","","92.34","0.02","90","","648.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B5 Cd O10 Sm -","- B5 Cd O10 Sm -","- B20 Cd4 O40 Sm4 -","4","1","JZ1197","Wiesch, Andre; Bluhm, Karsten","The First Cadmium Rare Earth Borates CdLn[B~5~O~10~] with Ln = La, Sm, Eu","Acta Crystallographica Section C","1997","53","12","1730","1733","10.1107/S0108270197008202","","","0.71069","MoKα","","0.0466","0.0293","","0.0901","0.0869","","","","1.148","1.243","1.243","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006830","8.5477","0.0012","7.881","0.002","9.58","0.002","90","","92.53","0.02","90","","644.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B5 Cd Eu O10 -","- B5 Cd Eu O10 -","- B20 Cd4 Eu4 O40 -","4","1","JZ1197","Wiesch, Andre; Bluhm, Karsten","The First Cadmium Rare Earth Borates CdLn[B~5~O~10~] with Ln = La, Sm, Eu","Acta Crystallographica Section C","1997","53","12","1730","1733","10.1107/S0108270197008202","","","0.71069","MoKα","","0.0614","0.0393","","0.0949","0.0893","","","","0.989","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006831","8.9206","0.0019","10.484","0.002","10.8614","0.0017","93.046","0.014","93.663","0.015","99.182","0.016","998.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(3,5-dimethylpyrazole)(N-salicylideneglycinato)copper(II)","","- C19 H23 Cu N5 O3 -","- C19 H23 Cu N5 O3 -","- C38 H46 Cu2 N10 O6 -","2","1","JZ1209","Warda, Salam A.","Bis(3,5-dimethylpyrazole-<i>N</i>^2^)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1997","53","12","1759","1761","10.1107/S0108270197009104","","","1.54178","CuKα","","0.0446","0.0442","","","","0.128","","","","","","1.083","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006832","15.564","0.003","12.441","0.002","7.8","0.002","90","","99.49","0.03","90","","1489.7","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- I7 Nb3 S -","- I7 Nb3 S -","- I28 Nb12 S4 -","4","1","JZ1212","Schmidt, Peter Josef; Thiele, Gerhard","A New Structural Variation of Nb~3~<i>YX</i>~7~ Compounds: Monoclinic Nb~3~SI~7~","Acta Crystallographica Section C","1997","53","12","1743","1745","10.1107/S0108270197008196","","","0.71069","MoKα","","0.0439","0.0305","","0.0923","0.0769","","","","1.082","1.086","1.086","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006833","9.634","0.004","8.586","0.002","5.304","0.002","90","","109.69","0.03","90","","413.1","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","vanadium lithium metasilicate","","- Li O6 Si2 V -","- Li O6 Si2 V -","- Li4 O24 Si8 V4 -","4","0.5","JZ1217","Satto, Christine; Millet, Patrice; Galy, Jean","Lithium Vanadium Metasilicate, LiVSi~2~O~6~","Acta Crystallographica Section C","1997","53","12","1727","1728","10.1107/S0108270197008585","","","0.71069","MoKα","","","0.0189","","","0.0162","","","","","1.0784","1.0784","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006834","13.307","0.002","24.15","0.003","14.74","0.002","90","","90","","90","","4736.9","1.1","294","1","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Hexamethylenetetramine‒1,1,1-tris(4-hydroxyphenyl)ethane (1/1).","","- C26 H30 N4 O3 -","- C26 H30 N4 O3 -","- C208 H240 N32 O24 -","8","1","JZ1225","Coupar, Pamela I.; Ferguson, George; Glidewell, Christopher; Meehan, Paul R.","Pairwise-Interwoven <i>R</i>^6^~6~(48) Hexagonal Nets in the Hydrogen-Bonded Structure of Hexamethylenetetramine‒1,1,1-Tris(4-hydroxyphenyl)ethane (1/1)","Acta Crystallographica Section C","1997","53","12","1978","1980","10.1107/S010827019701086X","","","0.7107","MolybdenumKα","","0.1996","0.0601","","0.1292","0.1025","","","","0.819","1.227","1.227","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006835","5.7094","0.0004","6.8207","0.0004","9.3291","0.0006","90","","90","","90","","363.29","0.04","293","2","293","2","","","","","","","","3","P m n 21","P 2ac -2","31","Europium nitridosilicate","Dieuropium-pentasiliconoctanitride","","- Eu2 N8 Si5 -","- Eu2 N8 Si5 -","- Eu4 N16 Si10 -","2","0.5","JZ1226","Huppertz, Hubert; Schnick, Wolfgang","Eu~2~Si~5~N~8~ and EuYbSi~4~N~7~. The First Nitridosilicates with a Divalent Rare Earth Metal","Acta Crystallographica Section C","1997","53","12","1751","1753","10.1107/S0108270197008767","","","0.71073","MoKα","","0.0278","0.0237","","0.0471","0.0458","","","","1.122","1.133","1.133","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006836","5.9822","0.0003","5.9822","0.0003","9.7455","0.0004","90","","90","","120","","302.03","0.02","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","Europium ytterbium nitridosilicate","Europium-ytterbium-tetrasiliconheptanitride","","- Eu N7 Si4 Yb -","- Eu N7 Si4 Yb -","- Eu2 N14 Si8 Yb2 -","2","0.166667","JZ1226","Huppertz, Hubert; Schnick, Wolfgang","Eu~2~Si~5~N~8~ and EuYbSi~4~N~7~. The First Nitridosilicates with a Divalent Rare Earth Metal","Acta Crystallographica Section C","1997","53","12","1751","1753","10.1107/S0108270197008767","","","0.71073","MoKα","","0.0261","0.0212","","0.0491","0.0478","","","","1.068","1.091","1.091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006837","10.6688","0.0001","10.7353","0.0001","18.8291","0.0002","83.323","0.001","83.735","0.001","76.03","0.001","2071.21","0.04","143","","143","","","","","","","","","4","P -1","-P 1","2","","octaphenylcyclotetrasiloxane","","- C48 H40 O4 Si4 -","- C48 H40 O4 Si4 -","- C96 H80 O8 Si8 -","2","1","JZ1227","Hensen, Karl; Gebhardt, Frank; Kettner, Markus; Pickel, Peter; Bolte, Michael","Two Cyclotetrasiloxanes at 143K","Acta Crystallographica Section C","1997","53","12","1867","1869","10.1107/S0108270197010068","","","0.71073","MoKα","","0.0375","0.0301","","0.0825","0.0784","","","","1.031","1.056","1.056","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006838","6.3603","0.0001","17.8106","0.0003","9.3363","0.0001","90","","99.036","0.001","90","","1044.5","0.03","143","","143","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,5,7-Tetra(cyclotetramethylen)cyclotetrasiloxane","","- C16 H32 O4 Si4 -","- C16 H32 O4 Si4 -","- C32 H64 O8 Si8 -","2","0.5","JZ1227","Hensen, Karl; Gebhardt, Frank; Kettner, Markus; Pickel, Peter; Bolte, Michael","Two Cyclotetrasiloxanes at 143K","Acta Crystallographica Section C","1997","53","12","1867","1869","10.1107/S0108270197010068","","","0.71073","MoKα","","0.0891","0.0546","","","","0.1227","","","","","","1.048","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006839","22.995","0.006","8.0989","0.0008","19.225","0.004","90","","117.76","0.02","90","","3168.3","1.2","294","1","294","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(4-methoxyphenylsulfonyl)methane","","- C15 H16 O6 S2 -","- C15 H16 O6 S2 -","- C120 H128 O48 S16 -","8","1","JZ1232","Meehan, Paul R.; Gregson, Richard M.; Glidewell, Christopher; Ferguson, George","Bis(4-methoxyphenylsulfonyl)methane: a Three-Dimensional Network Generated by Short C—H···O Hydrogen Bonds","Acta Crystallographica Section C","1997","53","12","1975","1978","10.1107/S0108270197011566","","","0.7107","MolybdenumKα","","0.0863","0.0401","","0.1038","","0.0942","","","1.002","","","1.17","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006840","8.455","0.003","7.798","0.003","21.508","0.005","90","","91.37","0.02","90","","1417.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-phenyl-5,6,8-trichloro-3,4-dihydroquinoline-2(1H)one","","- C15 H10 Cl3 N O -","- C15 H10 Cl3 N O -","- C60 H40 Cl12 N4 O4 -","4","1","KA1227","Thirumurugan, R.; Shanmuga Sundara Raj, S.; Murugan, P.; Ramakrishnan, V. T.; Chacko, K. K.","5,6,8-Trichloro-4-phenyl-3,4-dihydroquinolin-2(1<i>H</i>)-one","Acta Crystallographica Section C","1997","53","12","1862","1864","10.1107/S0108270197008810","","","1.54178","CuKα","","0.0842","0.0729","","0.2203","0.1926","","","","1.08","1.017","1.017","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006841","16.803","0.004","7.502","0.002","14.647","0.005","90","","115.39","0.03","90","","1668","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1,1-Trifluoro-3-phenylbutyl-2-p-nitrobenzoate","","- C17 H14 F3 N O4 -","- C17 H14 F3 N O4 -","- C68 H56 F12 N4 O16 -","4","1","KA1232","Faure, René; Félix, Caroline; Laurent, André; Mison, Pierre","1,1,1-Trifluoro-3-phenyl-2-butyl <i>p</i>-Nitrobenzoate","Acta Crystallographica Section C","1997","53","12","1935","1937","10.1107/S0108270197008822","","","1.5418","CuKα","","","0.057","","","0.067","","","","","1.46","1.46","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006842","20.431","0.004","6.192","0.001","5.136","0.001","90","0.01","95.79","0.02","90","0.01","646.4","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","L-Proline Monohydrate","","","- C5 H11 N O3 -","- C5 H11 N O3 -","- C20 H44 N4 O12 -","4","1","KA1239","Janczak, Jan; Luger, Peter","<small>L</small>-Proline Monohydrate at 100 K","Acta Crystallographica Section C","1997","53","12","1954","1956","10.1107/S0108270197011487","","","1.54179","CuKα","","0.033","0.033","","0.084","0.084","","","","1.207","1.207","1.207","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006843","7.656","0.001","7.801","0.001","8.547","0.001","111.95","0.01","99.76","0.01","90.09","0.01","465.43","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Endo,endo-2,5-dibromo-9-oxabicyclo[4.2.1]nonane","","- C8 H12 Br2 O -","- C8 H12 Br2 O -","- C16 H24 Br4 O2 -","2","1","LN1000","Hegemann, Klaus; Haufe, Günter; Fröhlich, Roland; Zippel, Frank","Three 2,5-Disubstituted 9-Oxabicyclo[4.2.1]nonanes. Transannular O-Heterocyclization Products of Cycloocta-1,5-diene","Acta Crystallographica Section C","1997","53","12","1889","1892","10.1107/S0108270197011748","","","0.71073","MoKα","","0.0833","0.0387","","0.1077","0.0963","","","","1.006","1.108","1.108","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006844","12.433","0.002","25.248","0.004","5.59","0.001","90","","90","","90","","1754.7","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Endo,endo-2,5-bis(phenylsulfenyl)-9-oxabicyclo[4.2.1]nonane","","- C20 H22 O S2 -","- C20 H22 O S2 -","- C80 H88 O4 S8 -","4","0.5","LN1000","Hegemann, Klaus; Haufe, Günter; Fröhlich, Roland; Zippel, Frank","Three 2,5-Disubstituted 9-Oxabicyclo[4.2.1]nonanes. Transannular O-Heterocyclization Products of Cycloocta-1,5-diene","Acta Crystallographica Section C","1997","53","12","1889","1892","10.1107/S0108270197011748","","","0.71073","MoKα","","0.1037","0.0566","","0.1843","0.165","","","","1.059","1.217","1.217","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006845","6.143","0.001","6.521","0.001","9.194","0.001","90","","106.73","0.01","90","","352.71","0.09","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9,10-Dioxatricyclo[4.2.1.1^2,5^]decane","","- C8 H12 O2 -","- C8 H12 O2 -","- C16 H24 O4 -","2","0.5","LN1000","Hegemann, Klaus; Haufe, Günter; Fröhlich, Roland; Zippel, Frank","Three 2,5-Disubstituted 9-Oxabicyclo[4.2.1]nonanes. Transannular O-Heterocyclization Products of Cycloocta-1,5-diene","Acta Crystallographica Section C","1997","53","12","1889","1892","10.1107/S0108270197011748","","","1.54178","CuKα","","0.0636","0.0629","","0.1836","0.1833","","","","1.077","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006846","14.208","0.004","16.484","0.006","6.663","0.002","90","","90","","90","","1560.5","0.9","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C64 H96 Cl8 O4 -","4","1","LN1007","Lassaba, E.; Benharref, A.; Giorgi, M.; Pierrot, M.","Cyclopropanation of a β-Himachalene Monoepoxide Derivative","Acta Crystallographica Section C","1997","53","12","1943","1945","10.1107/S0108270197009888","","","0.71073","MoKα","","0.043","0.036","","","0.048","","","","","1.84","1.84","","","","","has coordinates,has Fobs","208466","2020-10-21","18:00:00",""
"2006847","9.518","0.002","14.003","0.002","14.977","0.003","90","","90","","90","","1996.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR, 7aS)-N-Triphenylmethyl-3a,6,7,7a-tetrahydropyrano-[2,3-d]pyrrolid-2-one","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","LN1010","Vassilios Nastopoulos; Ourania Gourgioti; George Balayiannis; George Karigiannis; Dionissios Papaioannou; Constantin Kavounis","(3a<i>R</i>,7a<i>S</i>)-<i>N</i>-Triphenylmethyl-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-<i>b</i>]pyrrol-2-one","Acta Crystallographica Section C","1997","53","12","1971","1973","10.1107/S010827019701158X","","","0.71069","MoKα","","0.0418","0.0406","","0.1067","","0.1053","","","1.095","","","1.105","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006848","13.237","0.003","8.309","0.002","13.954","0.004","90","","104.17","0.03","90","","1488.1","0.7","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethylammonium Di(benzenesulfonyl)amide: 1,4,7,10,13,16-Hexaoxacyclooctadecane (1:1)","","- C26 H42 N2 O10 S2 -","- C26 H42 N2 O10 S2 -","- C52 H84 N4 O20 S4 -","2","1","LN1011","Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. XCI. Ethylammonium Di(benzenesulfonyl)amide 1,4,7,10,13,16-Hexaoxacyclooctadecane (1/1/1)","Acta Crystallographica Section C","1997","53","12","1875","1877","10.1107/S010827019701007X","","","0.71073","MoKα","","0.0341","0.0311","","0.0796","0.0756","","","","1.042","1.034","1.034","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006849","10.349","0.004","13.981","0.006","10.247","0.004","90","","102.46","0.06","90","","1447.7","1.1","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-Bis[bis(dimethylamino)]-N-methyldiborylamine","","- C9 H27 B2 N5 -","- C8.5 H27 B2 N4.5 -","- C34 H108 B8 N18 -","4","0.5","LN1012","Meller, Anton; Hoppe, Holger; Albers, Thomas","1,3-Bis[bis(dimethylamino)]-<i>N</i>-methyldiborylamine","Acta Crystallographica Section C","1997","53","12","1951","1952","10.1107/S0108270197010822","","","0.71073","MoKα","","0.064","0.056","","0.162","0.149","","","","1.068","1.066","1.066","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006850","9.031","0.001","14.262","0.002","20.58","0.002","90","","90","","90","","2650.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-3-(γ-methyl-N^α^-triphenylmethylglutamyl)benzotriazole 1-Oxide","","- C31 H28 N4 O4 -","- C31 H28 N4 O4 -","- C124 H112 N16 O16 -","4","1","LN1017","Mamos, Petros; Papaioannou, Dionissios; Kavounis, Constantin; Nastopoulos, Vassilios","(<i>S</i>)-3-(<i>O</i>^{γ^}-Methyl-<i>N</i>^{α^}-triphenylmethylglutamyl)benzotriazole 1-Oxide","Acta Crystallographica Section C","1997","53","12","1973","1975","10.1107/S0108270197011591","","","0.71069","MoKα","","0.048","0.046","","0.123","","0.12","","","1.069","","","1.079","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006851","14.963","0.004","9.78","0.003","15.734","0.005","90","","115.76","0.02","90","","2073.7","1.1","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1,2-Benzenedisulfonylimido-N,O)(1,4,7,10,13-pentaoxacyclododecane)sodium","","- C16 H24 N Na O9 S2 -","- C16 H24 N Na O9 S2 -","- C64 H96 N4 Na4 O36 S8 -","4","1","LN1019","Jones, Peter G.; Moers, Oliver; Blaschette, Armand","Polysulfonylamines. XCV. (1,2-Benzenedisulfonylimido-<i>N</i>,<i>O</i>)(1,4,7,10,13-pentaoxacyclopentadecane-κ^5^<i>O</i>)sodium","Acta Crystallographica Section C","1997","53","12","1811","1813","10.1107/S0108270197011062","","","0.71073","MoKα","","0.0686","0.0467","","0.1173","0.1022","","","","1.03","1.038","1.038","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006852","5.8656","0.0002","14.0699","0.0002","17.8671","0.0002","90","","92.335","0.004","90","","1473.32","0.06","295","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl3 N O -","- C15 H10 Cl3 N O -","- C60 H40 Cl12 N4 O4 -","4","1","MU1315","Ülkü, Dinçer; Ercan, Filiz; Güner, Vildan","3,3-Dichloro-4-(4-chlorophenyl)-1-phenylazetidin-2-one","Acta Crystallographica Section C","1997","53","12","1945","1947","10.1107/S0108270197009748","","","0.71073","MoKα","","","0.055","","","0.064","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006853","19.289","0.004","6.058","0.001","16.792","0.003","90","","98.23","0.01","90","","1942","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N -","- C27 H21 N -","- C108 H84 N4 -","4","1","MU1329","Jayanta Kumar Ray; Bidhan Chandra Roy; A.Chakraborty; Kandasamy Chinnakali; Hoong-Kun Fun","6-<i>n</i>-Butylacenaphtho[1,2-<i>b</i>]benzo[<i>h</i>]quinoline","Acta Crystallographica Section C","1997","53","12","1864","1865","10.1107/S0108270197009359","","","0.71073","MoKα","","0.0769","0.042","","0.1379","0.117","","","","0.891","1.012","1.012","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006854","10.381","0.001","12.556","0.001","6.883","0.001","90","","102.07","0.01","90","","877.32","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-dimethoxy-4-nitrobenzene.","","- C8 H9 N O4 -","- C8 H9 N O4 -","- C32 H36 N4 O16 -","4","1","MU1333","Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How","Substituted Methoxybenzene Derivatives: C~8~H~9~NO~4~, C~9~H~11~NO~5~ and C~13~H~18~O~4~","Acta Crystallographica Section C","1997","53","12","1859","1862","10.1107/S010827019700975X","","","0.71073","MoKα","","0.0842","0.0454","","0.1404","0.1219","","","","0.957","1.123","1.123","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006855","7.025","0.001","13.89","0.002","10.356","0.001","90","","99.03","0.01","90","","998","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4,5-Trimethoxy-1-nitrobenzene","","- C9 H11 N O5 -","- C9 H11 N O5 -","- C36 H44 N4 O20 -","4","1","MU1333","Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How","Substituted Methoxybenzene Derivatives: C~8~H~9~NO~4~, C~9~H~11~NO~5~ and C~13~H~18~O~4~","Acta Crystallographica Section C","1997","53","12","1859","1862","10.1107/S010827019700975X","","","0.71073","MoKα","","0.0568","0.0408","","0.1324","0.1236","","","","1.013","1.147","1.147","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006856","12.1275","0.0012","7.5965","0.0007","13.989","0.0014","90","","96.006","0.009","90","","1281.7","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(2,4,5-trimethoxyphenyl)-1-butanone.","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","MU1333","Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How","Substituted Methoxybenzene Derivatives: C~8~H~9~NO~4~, C~9~H~11~NO~5~ and C~13~H~18~O~4~","Acta Crystallographica Section C","1997","53","12","1859","1862","10.1107/S010827019700975X","","","0.71073","MoKα","","0.072","0.0419","","0.132","0.1174","","","","0.965","1.136","1.136","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006857","10.399","0.001","5.806","0.001","28.126","0.002","90","","93.02","0.01","90","","1695.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bis(3,4-dimethoxybenzyl)ether","","- C18 H22 O5 -","- C18 H22 O5 -","- C72 H88 O20 -","4","1","MU1334","Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How","Bis(3,4-dimethoxybenzyl) Ether and Tetramethoxy-4,4'-(2,3-dimethyltetramethylene)dipyrocatechol","Acta Crystallographica Section C","1997","53","12","1857","1859","10.1107/S0108270197009761","","","0.71073","MoKα","","0.0842","0.0398","","0.1104","0.096","","","","0.865","1.044","1.044","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006858","6.274","0.001","10.571","0.001","15.426","0.001","86.49","0.01","80.78","0.01","87.72","0.01","1007.5","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Tetramethoxy-4,4'-(2,3-dimethyltetramethylene)dipyrocatechol","","- C22 H30 O4 -","- C22 H30 O4 -","- C44 H60 O8 -","2","1","MU1334","Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How","Bis(3,4-dimethoxybenzyl) Ether and Tetramethoxy-4,4'-(2,3-dimethyltetramethylene)dipyrocatechol","Acta Crystallographica Section C","1997","53","12","1857","1859","10.1107/S0108270197009761","","","0.71073","MoKα","","0.0698","0.0432","","0.1263","0.1158","","","","0.949","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006859","5.191","0.004","11.627","0.006","12.998","0.007","75.8","0.04","79.33","0.06","88.49","0.06","747.2","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N O8 -","- C14 H15 N O8 -","- C28 H30 N2 O16 -","2","1","MU1340","Blake, Alexander J.; McNab, Hamish; Parsons, Simon; Withell, Kirsti","An Extended Imide Containing Two Methylene Meldrum's Acid Units","Acta Crystallographica Section C","1997","53","12","1956","1958","10.1107/S0108270197009773","","","0.71073","MoKα","","0.2159","0.0645","","0.1127","0.0753","","","","0.98","1.205","1.205","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006860","14.5643","0.0011","7.1338","0.0011","21.231","0.002","90","","105.021","0.008","90","","2130.5","0.4","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichloro-tetrakis{(2-pyridyl)pyrazine}copper(II) complex, C~24~H~16~N~6~Cl~2~Cu","","- C24 H16 Cl2 Cu N6 -","- C24 H16 Cl2 Cu N6 -","- C96 H64 Cl8 Cu4 N24 -","4","1","MU1342","Kožíšek, Jozef; Jaromír Marek; Zuzana Baloghová; Dušan Valigura","Dichloro[2,3,5,6-tetra(2-pyridyl)pyrazine]copper(II), [CuCl~2~(C~24~H~16~N~6~)]","Acta Crystallographica Section C","1997","53","12","1813","1815","10.1107/S0108270197011396","","","0.71073","MoKα","","0.041","0.033","","0.093","0.09","","","","1.084","1.132","1.132","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006861","13.48","0.002","11.459","0.003","15.89","0.003","90","","90.37","0.02","90","","2454.4","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(2'-S-hydroxypropyl)-N,N'-bis(3,5-dichlorobenzoyl)-1R,2R-diami- nocyclohexane","","- C23 H24 Cl4 N2 O3 -","- C23 H24 Cl4 N2 O3 -","- C92 H96 Cl16 N8 O12 -","4","2","NA1272","Cirilli, Roberto; Gaparrini, Francesco; Villani, Claudio; Gavuzzo, Enrico; Cirilli, Maurizio","The Chiral Selector <i>N</i>-(2'-<i>S</i>-Hydroxypropyl)-<i>N</i>,<i>N</i>'-bis(3,5-dichlorobenzoyl)-1<i>R</i>,2<i>R</i>-diaminocyclohexane","Acta Crystallographica Section C","1997","53","12","1937","1939","10.1107/S0108270197008068","","","1.5458","CuKα","","0.1415","0.088","","0.3335","0.2162","","","","1.15","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006862","11.0244","0.001","7.5621","0.001","19.9172","0.001","90","","91.407","0.004","90","","1659.9","0.3","295","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 O6 -","- C20 H16 O6 -","- C80 H64 O24 -","4","1","NA1299","Özbey, Süheyla; Kendi, Engin; Göker, Hakan; Ertan, Rahmiye","2-(2-Ethoxycarbonyl-1,4-benzodioxan-7-yl)-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section C","1997","53","12","1981","1983","10.1107/S0108270197009864","","","0.71073","MoKα","","","0.053","","","0.05","","","","","0.8","0.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006863","6.0144","0.0006","13.8744","0.0008","27.517","0.002","90","","90","","90","","2296.2","0.3","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(-) Diphenyl (R)-1-[(S)-isoleucyl]pyrrolidine-2-phosphonate hydrochloride","","- C22 H30 Cl N2 O4 P -","- C22 H30 Cl N2 O4 P -","- C88 H120 Cl4 N8 O16 P4 -","4","1","NA1308","Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter","Diphenyl ({-})-(<i>R</i>)-1-[(<i>S</i>)-Isoleucyl]pyrrolidine-2-phosphonate Hydrochloride","Acta Crystallographica Section C","1997","53","12","1952","1954","10.1107/S0108270197008524","","","1.54184","CuKα","","0.0353","0.0325","","0.084","","0.084","","","1.069","","","1.069","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006864","14.02","0.002","14.02","0.002","33.005","0.005","90","","90","","120","","5618.3","1.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","tris[1-(2-phenyl-2-oxoethyl)pyridone-2] hydroxonium tetrafluoroborate complex","","- C39 H36 B F4 N3 O7 -","- C39 H36 B F4 N3 O7 -","- C234 H216 B6 F24 N18 O42 -","6","0.333333","NA1311","Zhukov, S. G.; Rybakov, V. B.; Babaev, E. V.; Paseshnichenko, K. A.; Schenk, H.","Tris(1-phenacyl-2-pyridone) Hydroxonium Tetrafluoroborate, a Hydrogen-Bonded Complex","Acta Crystallographica Section C","1997","53","12","1909","1911","10.1107/S010827019701024X","","","0.70926","MoKα","","0.126","0.053","","0.13","0.102","","","","1.027","1.199","1.199","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006865","7.287","0.003","13.779","0.004","7.415","0.005","90","","99.55","0.1","90","","734.2","0.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(2-aminopyrimidine) tetrabromo-copper(ii)","","- C8 H12 Br4 Cu N6 -","- C8 H12 Br4 Cu N6 -","- C16 H24 Br8 Cu2 N12 -","2","0.5","NA1316","Raúl Corzo-Suárez; Santiago García-Granda; Isabel Díaz; Vicente Fernández-Herrero; Jose Luis Martínez","Redetermination of Bis(2-aminopyrimidinium) Tetrabromocopper(II) at 200 and 100K","Acta Crystallographica Section C","1997","53","12","1786","1789","10.1107/S0108270197009876","","","0.71073","MoKα","","0.1806","0.0497","","","","0.1544","","","","","","0.995","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006866","7.259","0.002","13.757","0.004","7.377","0.003","90","","99.87","0.03","90","","725.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(2-aminopyrimidine) tetrabromo-copper(ii)","","- C8 H12 Br4 Cu N6 -","- C8 H12 Br4 Cu N6 -","- C16 H24 Br8 Cu2 N12 -","2","0.5","NA1316","Raúl Corzo-Suárez; Santiago García-Granda; Isabel Díaz; Vicente Fernández-Herrero; Jose Luis Martínez","Redetermination of Bis(2-aminopyrimidinium) Tetrabromocopper(II) at 200 and 100K","Acta Crystallographica Section C","1997","53","12","1786","1789","10.1107/S0108270197009876","","","0.71073","MoKα","","0.13","0.0424","","","","0.1128","","","","","","1.004","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006867","9.075","0.001","11.282","0.002","9.191","0.001","90","","108.37","","90","","893.1","0.2","295","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","(2‒aminoethanesulfonato‒N,O)bis(ethylenediamine)‒Cobalt(III) perchlorate","","- C6 H22 Cl2 Co N5 O11 S -","- C6 H22 Cl2 Co N5 O11 S -","- C12 H44 Cl4 Co2 N10 O22 S2 -","2","1","OA1028","Murata, Mayumi; Masaaki Kojima; Masakazu Kita; Setsuo Kashino; Yuzo Yoshikawa","A Stable Sulfonato‒Cobalt(III) Complex: Δ-[Co{OS(O)~2~CH~2~CH~2~NH~2~-<i>N</i>,<i>O</i>}(en)~2~](ClO~4~)~2~","Acta Crystallographica Section C","1997","53","12","1761","1762","10.1107/S0108270197010032","","","0.71073","MoKα","","","0.029","","","0.028","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006868","11.8479","0.0001","9.4494","0.0002","17.8596","0.0003","90","","108.384","0.001","90","","1897.44","0.05","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N O6 P -","- C18 H20 N O6 P -","- C72 H80 N4 O24 P4 -","4","1","PT1044","Boehlow, Todd; De la Cruz, Antonette; Rath, Nigam P.; Spilling, Christopher D.","Dimethyl (±)-(1<i>S</i>*,2<i>R</i>*,3<i>S</i>*)-[3-phenyl-1-(<i>N</i>-phenylcarbamoyloxy)-2,3-epoxypropyl]phosphonate","Acta Crystallographica Section C","1997","53","12","1947","1949","10.1107/S0108270197010408","","","0.71073","MoKα","","0.084","0.0554","","0.1286","0.1121","","","","1.147","1.206","1.206","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006869","6.041","0.0001","9.9354","0.0001","18.3966","0.0003","90","","91.197","0.001","90","","1103.92","0.03","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Benzoyl-2,4-diphenyl-5-hydroxy-5-propionyl-3-imidazoline","","- C25 H22 N2 O4 -","- C25 H22 N2 O4 -","- C50 H44 N4 O8 -","2","1","QA0016","Bolte, Michael","1-Benzoyl-5-hydroxy-2,4-diphenyl-5-propionyloxy-3-imidazoline","Acta Crystallographica Section C","1997","53","12","IUC9700027","","10.1107/S0108270197099290","","","0.71073","MoKα","","0.0542","0.0442","","0.1092","0.1039","","","","1.115","1.148","1.148","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006870","5.9054","0.0008","9.2686","0.0007","15.946","0.002","90","","97.138","0.006","90","","866.04","0.17","143","","143","","","","","","","","","4","P 1 21 1","P 2yb","4","","(+)-(2S,3S,4S,5S)-(N-t-Butyloxycarbonyl)-2-benzyl-4,5-dimethyl- 3-hydroxy-pyrrolidine","","- C18 H27 N O3 -","- C18 H27 N O3 -","- C36 H54 N2 O6 -","2","1","QA0017","Bolte, Michael","(+)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>)-2-Benzyl-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)-3-hydroxy-4,5-dimethylpyrrolidine at 143K","Acta Crystallographica Section C","1997","53","12","IUC9700028","","10.1107/S0108270197099289","","","0.71073","MoKα","","0.0369","0.0362","","0.0975","0.097","","","","1.052","1.06","1.06","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006871","11.1376","0.0004","11.3443","0.0004","13.2368","0.0004","90","","109.884","0.001","90","","1572.74","0.09","140","","140","","","","","","","","","5","P 1 21 1","P 2yb","4","","S~S~-N(1S),2S,3R,4R,5R-N-[(1-Hydroxymethyl)-2-(methylpropyl)]-3- hydroxy-4-methyl-5-(4-methylphenylsulfonimidoylmethyl)-1-(4- methylphenylsulfonyl)-2-(phenylmethyl)-pyrrolidine","","- C32 H42 N2 O5 S2 -","- C32 H42 N2 O5 S2 -","- C64 H84 N4 O10 S4 -","2","1","QA0019","Bolte, Michael","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>,S<i>S</i>)-2-Benzyl-3-hydroxy-5-{<i>N</i>-[(<i>S</i>)-1-hydroxy-3-methylbut-2-yl]-4-methylphenylsulfonimidoylmethyl}-4-methyl-1-(4-methylphenylsulfonyl)pyrrolidine at 140K","Acta Crystallographica Section C","1997","53","12","IUC9700029","","10.1107/S0108270197099277","","","0.71073","MoKα","","0.0652","0.0437","","0.095","0.0849","","","","1.055","1.051","1.051","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006872","18.088","0.004","11.17","0.002","12.895","0.002","90","","119.93","0.01","90","","2257.9","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Bromomethyl-7,8-benzocoumarin","","- C14 H9 Br O2 -","- C14 H9 Br O2 -","- C112 H72 Br8 O16 -","8","1","QA0024","Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak; Kamaraj Sriraghavan; Vaylakkavoor T. Ramakrishnan","4-Bromomethyl-7,8-benzocoumarin","Acta Crystallographica Section C","1997","53","12","IUC9700030","","10.1107/S0108270197099265","","","0.71073","MoKα","","0.0844","0.0456","","0.1284","0.1171","","","","0.904","1.089","1.089","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006873","8.387","0.001","10.78","0.001","7.206","0.001","103.4","0.01","109.24","0.01","79.12","0.01","593.88","0.13","298","","","","","","","","","","","3","P -1","-P 1","2","","Bis(2-methylbenzylcyanide) Tetracyanobenzene","","- C28 H20 N6 -","- C28 H20 N6 -","- C28 H20 N6 -","1","0.5","QA0026","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu; Nakabayashi, Hironari","Bis(2-methylbenzyl cyanide) Tetracyanobenzene","Acta Crystallographica Section C","1997","53","12","IUC9700031","","10.1107/S0108270197099253","","","0.71073","MoKα","","","0.057","","","0.063","","","","","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006874","6.814","0.001","9.497","0.002","16.374","0.002","90","","90","","90","","1059.6","0.3","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Sodium bis(malonato)cuprate(II) dihydrate","","- C6 H8 Cu Na2 O10 -","- C6 H8 Cu Na2 O10 -","- C24 H32 Cu4 Na8 O40 -","4","0.5","QB0022","Barnes, John C.; Weakley, Timothy J.R.","Disodium Bis(malonato)cuprate(II) Dihydrate","Acta Crystallographica Section C","1997","53","12","IUC9700026","","10.1107/S0108270197099307","","","0.71073","MoKα","","0.0747","0.0476","","","","0.1425","","","","","","1.148","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006875","10.799","0.0016","12.6741","0.0012","16.3797","0.0013","90","","91.303","0.01","90","","2241.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-(4-Nitrophenyl)-7-azabicyclo[4.1.0]heptane","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C96 H112 N16 O16 -","8","2","QB0027","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan","7-(4-Nitrophenyl)-7-azabicyclo[4.1.0]heptane","Acta Crystallographica Section C","1997","53","12","IUC9700032","","10.1107/S0108270197099241","","","0.71073","MoKα","","0.1345","0.0453","","0.1264","0.1007","","","","0.818","1.077","1.077","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006876","9.3718","0.0014","17.085","0.003","14.351","0.002","90","","95.121","0.004","90","","2288.7","0.6","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,4,6,9,11-pentamethyl-5,8-diazadodeca-4,8-diene-2,11- diamine)nickel(II) tetrachlorozincate","","- C15 H32 Cl4 N4 Ni Zn -","- C15 H32 Cl4 N4 Ni Zn -","- C60 H128 Cl16 N16 Ni4 Zn4 -","4","1","SK1009","Gladkikh, Olga P.; Curtis, Neil F.; Heath, Sarah L.","A Nickel(II) Compound with a Tetradentate Diamine‒Diimine Ligand, (2,4,6,9,11-Pentamethyl-5,8-diazadodeca-4,8-diene-2,11-diamine)nickel(II) Tetrachlorozincate","Acta Crystallographica Section C","1997","53","12","1770","1772","10.1107/S0108270197009840","","","0.71073","MoKα","","0.0821","0.0473","","0.1088","0.0918","","","","1.082","1.091","1.091","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006877","17.659","0.003","8.477","0.002","17.763","0.003","90","","114.1","0.01","90","","2427.3","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","octacarbonyl-μ-chloro-μ-dicyclohexylphosphido-dimanganese","","- C20 H22 Cl Mn2 O8 P -","- C20 H22 Cl Mn2 O8 P -","- C80 H88 Cl4 Mn8 O32 P4 -","4","0.5","SK1124","Flörke, Ulrich; Haupt, Hans-Jürgen","Octacarbonyl-μ-chloro-μ-dicyclohexylphosphido-dimanganese","Acta Crystallographica Section C","1997","53","12","1799","1801","10.1107/S0108270197010354","","","0.71073","MoKα","","0.084","0.048","","0.122","","0.104","","","1.028","","","1.103","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006878","13.3551","0.0019","12.4868","0.0008","14.7273","0.0015","90","","112.604","0.01","90","","2267.3","0.5","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1'-Benzoylferrocenyl)diphenylmethanol","","- C30 H24 Fe O2 -","- C30 H24 Fe O2 -","- C120 H96 Fe4 O8 -","4","1","SK1147","Glidewell, Christopher; Ahmed, S. Zaka; Gallagher, John F.; Ferguson, George","(1'-Benzoylferrocenyl)diphenylmethanol; a Centrosymmetric ^4^~4~(16) Dimer Generated by C—H···O Hydrogen Bonding","Acta Crystallographica Section C","1997","53","12","1775","1778","10.1107/S010827019701233X","","","0.7107","MolybdenumKα","","0.1037","0.0401","","","0.0868","0.0969","","","","","","0.97","","","","has coordinates","192302","2020-10-21","18:00:00",""
"2006879","6.2616","0.0008","25.1866","0.0015","11.603","0.0009","90","","90.06","0.008","90","","1829.9","0.3","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-Dibenzoylferrocene","","- C24 H18 Fe O2 -","- C24 H18 Fe O2 -","- C96 H72 Fe4 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","","0.1026","0.0402","","","","0.0876","","","","","","0.996","","","","has coordinates","192301","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",""
"2006881","13.628","0.002","7.618","0.001","5.11","0.001","90","0.01","90","0.01","90","0.01","530.51","0.15","12","","12","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","SX1034","Jan Janczak; Dieter Zobel; Peter Luger","<small>L</small>-Threonine at 12 K","Acta Crystallographica Section C","1997","53","12","1901","1904","10.1107/S0108270197011414","","","0.5609","AgKα_(X-ray_tube)","","0.034","0.026","","0.063","0.03","","","","5.856","2.866","2.866","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006882","10.703","0.002","10.99","0.001","17.584","0.005","90","","90","","90","","2068.3","0.7","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","cis-anti-cis-tricyclo[6.4.0.0^2.7^]dodecane-3,12-dione","","- C12 H16 O2 -","- C12 H16 O2 -","- C96 H128 O16 -","8","1","SX1038","Angela Taylor; Edmund J. Eisenbraun; Clinton E. Browne; Elizabeth M. Holt","<i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,12-dione and <i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,9-dione","Acta Crystallographica Section C","1997","53","12","1963","1966","10.1107/S0108270197011694","","","0.71073","MoKα","","","0.059","","","","0.1562","","","","","","0.725","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006883","8.342","0.003","5.661","0.003","10.553","0.004","90","","93.23","0.01","90","","497.6","0.4","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","cis-anti-cis-tricyclo[6.4.0.0^2.7^]dodecane-3,9-dione","","- C12 H16 O2 -","- C12 H16 O2 -","- C24 H32 O4 -","2","0.5","SX1038","Angela Taylor; Edmund J. Eisenbraun; Clinton E. Browne; Elizabeth M. Holt","<i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,12-dione and <i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,9-dione","Acta Crystallographica Section C","1997","53","12","1963","1966","10.1107/S0108270197011694","","","0.71073","MoKα","","0.1063","0.0551","","","","0.1389","","","","","","0.891","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006884","13.3179","0.0015","13.1523","0.0013","8.6827","0.0012","90","","100.19","0.01","90","","1496.9","0.3","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Potassium Cobalt Aluminium Phosphate","","- Al Co K O8 P2 -","- Al Co K O8 P2 -","- Al8 Co8 K8 O64 P16 -","8","1","TA1136","Chen, Xue-An; Zhao, Ling; Li, Yan; Guo, Fang; Chen, Ben-Ming","Potassium Cobalt Aluminium Mixed Phosphate, K(Co^II^,Al)~2~(PO~4~)~2~","Acta Crystallographica Section C","1997","53","12","1754","1756","10.1107/S0108270197009906","","","0.71073","MoKα","","","0.0364","","0.1038","","","","","1.198","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006885","5.294","0.004","8.837","0.004","16.143","0.008","90","","90.6","0.05","90","","755.2","0.8","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dibariummagnesium Diphosphate","","- Ba8 Mg4 O32 P8 -","- Ba2 Mg O8 P2 -","- Ba8 Mg4 O32 P8 -","4","1","TA1147","F. Lucas; G. Wallez; S. Jaulmes; A. Elfakir; M. Quarton","Dibarium Magnesium Phosphate","Acta Crystallographica Section C","1997","53","12","1741","1743","10.1107/S010827019700841X","","","0.71069","MoKα","","0.033","0.033","","0.038","0.038","","","","1.95","1.95","1.95","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006886","18.965","0.002","7.522","0.002","8.794","0.001","90","","101.13","0.01","90","","1230.9","0.4","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O10 -","- C23 H30 N2 O10 -","- C46 H60 N4 O20 -","2","1","TA1149","Kurihara, Hiroyuki; Fujita, Shigeo; Mase, Toshiyasu","({-})-Formoterol, a Selective β~2~-Adrenoreceptor Agonist","Acta Crystallographica Section C","1997","53","12","1887","1889","10.1107/S0108270197009918","","","1.5418","CuKα","","0.0843","0.0662","","0.0886","0.0811","","","","1.307","1.197","1.197","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006887","16.402","0.002","16.402","0.002","14.573","0.002","90","","90","","120","","3395.3","0.7","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Hexasilver Cerium(III) Nonanitrate","","- Ag6 Ce N9 O27 -","- Ag6 Ce N9 O27 -","- Ag36 Ce6 N54 O162 -","6","0.166667","TA1156","Audebrand, Nathalie; Auffrédic, Jean-Paul; Bénard-Rocherullé, Patricia; Louër, Daniel","Cerous Silver Nitrate, Ag~6~Ce(NO~3~)~9~","Acta Crystallographica Section C","1997","53","12","1748","1751","10.1107/S0108270197008688","","","0.71073","MoKα","","0.048","0.0397","","0.115","0.1075","","","","1.006","1.012","1.012","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006888","6.805","0.001","13.225","0.001","13.902","0.001","90","","90","","90","","1251.1","0.2","292","2","292","2","","","","","","","","4","P n a 21","P 2c -2n","33","","7-Methoxy-4,4,6-trichloro-2,4,5,6-tetrahydro-3H-3a,5-meth-anoazulene","","- C12 H13 Cl3 O -","- C12 H13 Cl3 O -","- C48 H52 Cl12 O4 -","4","1","TA1168","Mackay, Maureen F.; Banwell, Martin G.; Pallich, Susanne; Phyland, James R.","Novel Products from the Rearrangement of Some [<i>n</i>.3.1]Propellanes","Acta Crystallographica Section C","1997","53","12","2000","2002","10.1107/S0108270197010044","","","1.5418","CuKα","","0.057","0.052","","0.125","0.121","","","","1.031","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006889","9.818","0.002","11.191","0.001","11.79","0.001","90","","90","","90","","1295.4","0.3","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aα,6α)-(E)-5-Chloromethylene-8,8-dichloro-6-methoxy-1,2,3,4,5,6-hexahydro- 3a,6-methanO-3aH-indene","","- C12 H13 Cl3 O -","- C12 H13 Cl3 O -","- C48 H52 Cl12 O4 -","4","1","TA1168","Mackay, Maureen F.; Banwell, Martin G.; Pallich, Susanne; Phyland, James R.","Novel Products from the Rearrangement of Some [<i>n</i>.3.1]Propellanes","Acta Crystallographica Section C","1997","53","12","2000","2002","10.1107/S0108270197010044","","","1.5418","CuKα","","0.039","0.037","","1.107","1.107","","","","1.109","1.109","1.109","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006890","3.8827","0.001","3.8827","0.001","7.546","0.002","90","","90","","90","","113.76","0.05","124","2","124","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- Ba Co0.9 Cu1.1 O5 Y -","- Ba Co0.9 Cu1.1 O5 Y -","- Ba Co0.9 Cu1.1 O5 Y -","1","0.0625","TA1169","Gainsford, Graeme J.; Tallon, J. L.; Lin, C.T.","YBa(Cu~1.10~Co~0.90~)O~5~, Prepared from YBa~2~Cu~3~O~7~","Acta Crystallographica Section C","1997","53","12","1729","1730","10.1107/S0108270197010743","","","0.7093","MoKα","","0.0289","0.028","","0.0641","0.064","","","","1.316","1.339","1.339","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006891","8.715","0.006","10.229","0.005","25.007","0.012","90","","96.17","0.04","90","","2216","2","293","2","115","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl Co N4 O7 -","- C19 H26 Cl Co N4 O7 -","- C76 H104 Cl4 Co4 N16 O28 -","4","1","TA1171","Hartshorn, Richard M.; Robinson, Ward T.; Telfer, Shane G.","β-(1,10-Phenanthroline)(1,3-propanediamine-<i>N</i>,<i>N</i>'-diacetato)cobalt(III) Chloride Trihydrate","Acta Crystallographica Section C","1997","53","12","1757","1759","10.1107/S0108270197010755","","","0.71073","MoKα","","0.071","0.041","","0.129","","0.103","","","1.026","1.042","1.042","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006892","4.964","0.003","5.19","0.004","24.497","0.003","90","","90.75","0.03","90","","631.1","0.6","296.2","","296.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,12-dodecanediol","","","- C12 H26 O2 -","- C12 H26 O2 -","- C24 H52 O4 -","2","0.5","TA1172","Nakamura, Naotake; Setodoi, Shigetaka","1,12-Dodecanediol","Acta Crystallographica Section C","1997","53","12","1883","1885","10.1107/S0108270197011918","","","0.7107","MoKα","","0.097","0.049","","0.091","0.072","","","","1.606","1.27","1.27","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006893","8.332","0.001","9.524","0.001","13.539","0.002","90.02","0.01","100.32","0.02","111.33","0.01","982.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-acetatobis(dicarbonyl(pyrazole)ruthenium(I))","","- C14 H14 N4 O8 Ru2 -","- C14 H14 N4 O8 Ru2 -","- C28 H28 N8 O16 Ru4 -","2","1","TA1175","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Huang, Chao-Hao; Tung, Shu-Fang; Shiu, Kom-Bei","Di-μ-acetato-bis[dicarbonyl(pyrazole)ruthenium(I)] and Di-μ-acetato-bis[dicarbonyl(3,5-dimethylpyrazole)ruthenium(I)]","Acta Crystallographica Section C","1997","53","12","1782","1784","10.1107/S0108270197012274","","","0.7093","MoKα","","0.03","0.024","","0.06","0.059","","","","1.035","1.094","1.094","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006894","9.292","0.001","13.731","0.001","18.639","0.002","90","","90","","90","","2378.1","0.4","293","2","293","2","","","","","","","","5","B b 21 m","B -2 -2b","36","","Di-u-acetatobis(dicarbonyl(3,5-dimethylpyrazole)ruthenium(I))","","- C18 H22 N4 O8 Ru2 -","- C18 H22 N4 O8 Ru2 -","- C72 H88 N16 O32 Ru8 -","4","0.5","TA1175","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Huang, Chao-Hao; Tung, Shu-Fang; Shiu, Kom-Bei","Di-μ-acetato-bis[dicarbonyl(pyrazole)ruthenium(I)] and Di-μ-acetato-bis[dicarbonyl(3,5-dimethylpyrazole)ruthenium(I)]","Acta Crystallographica Section C","1997","53","12","1782","1784","10.1107/S0108270197012274","","","0.7093","MoKα","","0.054","0.05","","0.169","0.168","","","","1.199","1.242","1.242","","","","","has coordinates","191018","2020-10-21","18:00:00",""
"2006895","8.665","0.003","16.681","0.002","13.673","0.004","90","","98.49","0.03","90","","1954.7","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(Perchlorato-O)(1,4,7,11,13- pentaazacyclohexadecane-N,N',N'',N''',N'''') Nickel(II) Perchlorate","","- C11 H27 Cl2 N5 Ni O8 -","- C11 H27 Cl2 N5 Ni O8 -","- C44 H108 Cl8 N20 Ni4 O32 -","4","2","TA1177","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Chi, Ta-Yung; Chung, Chung-Sun","(1,4,7,11,13-Pentaazacyclohexadecane-κ^5^<i>N</i>)(perchlorato-κ<i>O</i>)nickel(II) Perchlorate","Acta Crystallographica Section C","1997","53","12","1778","1780","10.1107/S0108270197011141","","","0.7093","MoKα","","0.088","0.066","","0.157","0.142","","","","0.848","1.217","1.217","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006896","6.6161","0.0013","9.633","0.002","12.692","0.003","98.27","0.02","104.84","0.02","106.74","0.02","727.8","0.3","293","1","293","1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 Br3 O3 -","- C13 H13 Br3 O3 -","- C26 H26 Br6 O6 -","2","1","TA1187","Gable, Robert W.; Lowe, David A.; Tsanaktsidis, John","<i>endo</i>-1,4,4-Tribromo-3-methyltricyclo[5.2.1.0^2,6^]dec-8-ene-5,10-dione 10-Ethylene Acetal","Acta Crystallographica Section C","1997","53","12","1916","1917","10.1107/S0108270197012286","","","0.71073","MoKα","","0.0684","0.0447","","0.1188","0.1052","","","","1.055","1.097","1.097","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006897","13.716","0.001","14.969","0.003","15.925","0.001","90","","90","","90","","3269.6","0.7","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","Chloro (1,4,7,11-tetraazacyclotetradecane-N,N',N'',N''') Zinc(II) Perchlorate","","- C10 H24 Cl2 N4 O4 Zn -","- C10 H24 Cl2 N4 O4 Zn -","- C80 H192 Cl16 N32 O32 Zn8 -","8","1","VJ1073","Lu, Tian-Huey; Panneerselvam, Kaliyamoorthy; Tung, Shu-Fang; Chi, Ta-Yung; Chung, Chung-Sun","Chloro(1,4,7,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')zinc(II) Perchlorate","Acta Crystallographica Section C","1997","53","12","1780","1782","10.1107/S010827019701192X","","","0.7107","MoKα","","0.09","0.054","","0.143","0.137","","","","0.936","1.114","1.114","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2019340","10.241","0.004","8.649","0.003","13.848","0.005","90","","109.93","0.03","90","","1153.1","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Sodium Indium Diarsenate","","- As4 In2 Na2 O14 -","- As4 In2 Na2 O14 -","- As16 In8 Na8 O56 -","4","0.5","","Belam, W.; Driss, A.; Jouini, T.","NaInAs2O7","Acta Crystallographica Section C Crystal Structure Communications","1997","53","1","5","","10.1107/S0108270196009900","","","0.71069","MoKα","","0.054","0.0377","","0.1011","0.0944","","","","1.123","1.203","1.203","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2021868","6.8175","0.0008","10.762","0.002","13.71","0.002","90","","90","","90","","1005.9","0.3","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bromo-n-propionamido-α-alaninatocopper(II)","","- C6 H11 Br Cu N2 O3 -","- C6 H11 Br Cu N2 O3 -","- C24 H44 Br4 Cu4 N8 O12 -","4","1","DE1047","Chen, W.; Lim, M.-C.","Bromo(n-propionamido-α-alaninato)copper(II) and its Hydrate","Acta Crystallographica Section C Crystal Structure Communications","1997","53","5","537","","10.1107/S0108270196015429","","","0.71073","MoKα","","0.0385","0.0292","","0.0545","0.0516","","","","1.096","1.12","1.12","","","","","has coordinates","246029","2020-10-21","18:00:00",""
"2021869","7.6203","0.0004","10.2094","0.0009","14.045","0.002","90","","90","","90","","1092.68","0.19","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","'Bromo-n-propionamido-α-alaninatocopper(II) hydrate'","","- C6 H13 Br Cu N2 O4 -","- C6 H11 Br Cu N2 O4 -","- C24 H44 Br4 Cu4 N8 O16 -","4","1","DE1047","Chen, W.; Lim, M.-C.","Bromo(n-propionamido-α-alaninato)copper(II) and its Hydrate","Acta Crystallographica Section C Crystal Structure Communications","1997","53","5","537","","10.1107/S0108270196015429","","","0.71073","MoKα","","0.0513","0.0478","","0.1167","0.1148","","","","1.074","1.097","1.097","","","","","has coordinates","246029","2020-10-21","18:00:00",""
"2101653","10.951","0.004","13.396","0.008","7.072","0.004","90","","108.88","0.03","90","","981.6","0.9","100","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 Br D16 N O2 -","- C7 Br D16 N O2 -","- C28 Br4 D64 N4 O8 -","4","1","AN0532","Shankland, N.; Florence, A. J.; Wilson, C. C.","Single-Crystal Neutron Diffraction Analysis of Anion–Cation Interactions in Perdeuteroacetylcholine Bromide at 100 K","Acta Crystallographica Section B","1997","53","1","176","180","10.1107/S0108768196010324","","neutron","","neutron","","","0.072","","","0.055","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101654","5.884","0.001","11.787","0.003","8.231","0.002","90","","90","","90","","570.9","0.2","100","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- O3 Pb Zr -","- O3 Pb Zr -","- O24 Pb8 Zr8 -","8","1","BM0006","Corker, D. L.; Glazer, A. M.; Dec, J.; Roleder, K.; Whatmore, R. W.","A Re-investigation of the Crystal Structure of the Perovskite PbZrO~3~ by X-ray and Neutron Diffraction","Acta Crystallographica Section B","1997","53","1","135","142","10.1107/S0108768196012414","","","0.71069","MoKα","","","0.0326","","","0.0607","","","","","0.996","0.996","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101655","5.8878","0.0002","11.789","0.0004","8.2527","0.0002","90","","90","","90","","572.83","0.03","398","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- O3 Pb Zr -","- O3 Pb Zr -","- O24 Pb8 Zr8 -","8","1","BM0006","Corker, D. L.; Glazer, A. M.; Dec, J.; Roleder, K.; Whatmore, R. W.","A Re-investigation of the Crystal Structure of the Perovskite PbZrO~3~ by X-ray and Neutron Diffraction","Acta Crystallographica Section B","1997","53","1","135","142","10.1107/S0108768196012414","","neutron","1.90788","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101656","5.99986","0.00016","5.99986","0.00016","12.3976","0.0004","90","","90","","90","","446.29","0.02","20","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49978","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101657","6.00092","0.00016","6.00092","0.00016","12.3989","0.0004","90","","90","","90","","446.5","0.02","40","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49978","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101658","6.00193","0.00017","6.00193","0.00017","12.4027","0.0004","90","","90","","90","","446.78","0.02","60","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49978","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101659","6.00313","0.00017","6.00313","0.00017","12.4118","0.0004","90","","90","","90","","447.29","0.02","80","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49978","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101660","6.00301","0.00018","6.00301","0.00018","12.4258","0.0004","90","","90","","90","","447.78","0.02","100","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49978","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101661","6.00091","0.00019","6.00091","0.00019","12.4466","0.0005","90","","90","","90","","448.21","0.03","120","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49978","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101662","5.9956","0.0002","5.9956","0.0002","12.4783","0.0005","90","","90","","90","","448.56","0.03","140","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49978","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101663","5.98872","0.00014","5.98872","0.00014","12.466","0.0003","90","","90","","90","","447.09","0.018","140","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49935","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101664","5.97765","0.00014","5.97765","0.00014","12.516","0.0003","90","","90","","90","","447.225","0.018","160","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49935","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101665","5.95898","0.00015","5.95898","0.00015","12.5916","0.0004","90","","90","","90","","447.12","0.02","180","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49935","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101666","5.9324","0.00016","5.9324","0.00016","12.6897","0.0004","90","","90","","90","","446.59","0.02","200","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49935","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101667","5.91124","0.00018","5.91124","0.00018","12.7765","0.0005","90","","90","","90","","446.45","0.03","220","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49935","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101668","5.89725","0.00019","5.89725","0.00019","12.8464","0.0005","90","","90","","90","","446.77","0.03","240","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49935","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101669","5.8805","0.0002","5.8805","0.0002","12.9874","0.0006","90","","90","","90","","449.11","0.03","298","","295","2","","","","","","","","4","I 41/a :2","-I 4ad","88","ammonium perrhenate","ammonium rhenium(VII) oxide","","- D4 N O4 Re -","- D4 N O4 Re -","- D16 N4 O16 Re4 -","4","0.25","BR0049","I.P.Swainson; R.J.C.Brown","Refinement of Ammonium Perrhenate Structure Using a Pseudo-Spin Model for the Ammonium Ion Orientation","Acta Crystallographica Section B","1997","53","1","76","81","10.1107/S0108768196011160","","neutron","1.49935","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101670","6.282","0.001","13.252","0.001","13.112","0.001","90","","98.08","0.09","90","","1080.7","0.3","100","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C12 H28 F12 N2 P2 -","- C12 H28 F12 N2 P2 -","- C24 H56 F24 N4 P4 -","2","0.5","CF0001","McCormack, Kirsty L.; Mallinson, Paul R.; Webster, Brian C.; Yufit, Dmitrii S.","Experimental and Theoretical Studies of Charge Density Distribution in <i>E</i>-Tetraethyl-1,4-diammoniumbut-2-ene.2PF~6~","Acta Crystallographica Section B","1997","53","1","181","187","10.1107/S0108768196011172","","","0.71069","MoKα","","","0.021","","","0.022","","","","","1.003","1.003","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101671","7.7992","0.0006","7.905","0.0006","5.5591","0.0005","90","","90","","90","","342.73","0.05","295","2","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","CR0515","Pilati, T.; Demartin, F.; Gramaccioli, C. M.","Transferability of Empirical Force Fields in Silicates: Lattice-Dynamical Evaluation of Atomic Displacement Parameters and Thermodynamic Properties for the Al~2~OSiO~4~ Polymorphs","Acta Crystallographica Section B","1997","53","1","82","94","10.1107/S0108768196011482","","","0.71073","MoKα","","","0.014","","","0.018","","","","","0.938","0.938","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101672","8.5222","0.0011","6.8359","0.001","24.142","0.004","90","","90","","90","","1406.4","0.4","293","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag2 P2 S11 Ti2 -","- Ag2 P2 S11 Ti2 -","- Ag8 P8 S44 Ti8 -","4","0.5","DU0410","Gaudin, E.; Fischer, L.; Boucher, F.; Evain, M.; Petricek, V.","Ag~2~Ti~2~P~2~S~11~: A New Layered Thiophosphate. Synthesis, Structure Determination and Temperature Dependence of the Silver Distribution","Acta Crystallographica Section B","1997","53","1","67","75","10.1107/S010876819601097X","","","0.71073","MoKα","","","0.0378","","","0.0385","","","","","1.28","1.28","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101673","7.385","0.002","30.831","0.007","7.1168","0.0013","90","","90","","90","","1620.4","0.6","","","","","","","","","","","","5","C m m 2","C 2 -2","35","","","","- H4 Na3 Nd O17 Si6 -","- H4 Na3.005 Nd O17 Si6 -","- H16 Na12.02 Nd4 O68 Si24 -","4","0.5","DU0411","Haile, S. M.; Wuensch, B. J.; Laudise, R. A.; Maier, J.","Structure of Na~3~NdSi~6~O~15~.2H~2~O ‒ a Layered Silicate with Paths for Possible Fast-Ion Conduction","Acta Crystallographica Section B","1997","53","1","7","17","10.1107/S0108768196009950","","","0.71073","MoKα","","","0.0267","","","0.0817","","","","","","","","","","","has coordinates","191104","2020-10-21","18:00:00",""
"2101674","4.69263","0.00005","5.72129","0.00007","4.92805","0.00005","90","","90.6321","0.0009","90","","132.3","0.003","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- O4 W Zn -","- O4 W Zn -","- O8 W2 Zn2 -","2","0.5","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101675","4.69114","0.00006","5.72608","0.00007","4.92536","0.00006","90","","90.7507","0.0009","90","","132.293","0.003","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cu0.1 O4 W Zn0.9 -","- O4 W Zn -","- O8 W2 Zn2 -","2","0.5","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101676","4.68766","0.00008","5.72752","0.0001","4.92052","0.00008","90","","90.8566","0.0013","90","","132.095","0.004","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cu0.15 O4 W Zn0.85 -","- O4 W Zn -","- O8 W2 Zn2 -","2","0.5","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101677","4.68502","0.00005","5.73194","0.00007","4.9156","0.00005","90","","91.0026","0.0009","90","","131.985","0.003","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cu0.2 O4 W Zn0.8 -","- O4 W Zn -","- O8 W2 Zn2 -","2","0.5","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101678","4.68499","0.00011","5.73796","0.00016","4.91163","0.00012","89.766","0.002","91.135","0.002","91.467","0.002","131.966","0.006","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.25 O4 W Zn0.75 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101679","4.68411","0.0001","5.74374","0.00013","4.90925","0.0001","89.6303","0.0019","91.1899","0.0018","92.073","0.0018","131.963","0.005","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.3 O4 W Zn0.7 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101680","4.6901","0.0001","5.76474","0.00013","4.90647","0.00008","89.3597","0.0014","91.3394","0.0013","93.2364","0.0013","132.403","0.005","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.35 O4 W Zn0.65 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101681","4.69097","0.00009","5.7751","0.00009","4.90169","0.00007","89.2071","0.0013","91.487","0.0012","93.9239","0.0013","132.425","0.004","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.4 O4 W Zn0.6 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101682","4.69174","0.00012","5.77857","0.00013","4.90054","0.00009","89.1685","0.0017","91.519","0.0016","94.1","0.0016","132.464","0.005","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.45 O4 W Zn0.55 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101683","4.69651","0.00018","5.80159","0.00018","4.89491","0.00011","88.913","0.002","91.8172","0.0019","95.215","0.002","132.736","0.007","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.55 O4 W Zn0.45 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101684","4.6947","0.0003","5.8028","0.0003","4.89158","0.00016","88.871","0.003","91.828","0.003","95.367","0.003","132.588","0.012","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.6 O4 W Zn0.4 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101685","4.70189","0.00011","5.81866","0.00018","4.89057","0.00011","88.706","0.002","92.051","0.002","95.982","0.002","132.962","0.006","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.65 O4 W Zn0.35 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101686","4.7013","0.0004","5.8207","0.0004","4.889","0.0002","88.678","0.004","92.073","0.004","96.099","0.004","132.918","0.016","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.7 O4 W Zn0.3 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101687","4.70508","0.00013","5.82979","0.00011","4.88441","0.00007","88.5414","0.0013","92.2845","0.0012","96.6112","0.0013","132.951","0.005","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.7 O4 W Zn0.25 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101688","4.70707","0.00019","5.83407","0.00018","4.88649","0.0001","88.511","0.002","92.3254","0.0017","96.735","0.0019","133.124","0.007","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.8 O4 W Zn0.2 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101689","4.70559","0.00012","5.83597","0.0001","4.88391","0.00006","88.4601","0.0012","92.3623","0.001","96.8837","0.0011","133.008","0.004","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.85 O4 W Zn0.15 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101690","4.7095","0.0002","5.8403","0.0002","4.88323","0.00011","88.413","0.002","92.5035","0.0018","97.095","0.002","133.123","0.008","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.9 O4 W Zn0.1 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101691","4.70682","0.00011","5.83985","0.0001","4.88214","0.00006","88.3889","0.0011","92.4646","0.001","97.1148","0.001","133.004","0.004","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu0.95 O4 W Zn0.05 -","- O4 W Zn -","- O8 W2 Zn2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101692","4.70953","0.00016","5.84516","0.00014","4.88492","0.00008","88.353","0.0016","92.5081","0.0014","97.2047","0.0015","133.246","0.006","","","","","","","","","","","","3","P -1","-P 1","2","","","","- Cu O4 W -","- Cu O4 W -","- Cu2 O8 W2 -","2","1","HA0150","Schofield, P. F.; Knight, K. S.; Redfern, S. A. T.; Cressey, G.","Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~","Acta Crystallographica Section B","1997","53","1","102","112","10.1107/S0108768196010403","","neutron","1.227","neutron","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101693","4.13814","0.00004","4.13814","0.00004","4.13814","0.00004","90","","90","","90","","70.8623","0.0012","165","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- B6 Ce -","- B6 Ce -","- B6 Ce -","1","0.0208333","OA0003","Tanaka, K.; Kato, Y.; Onuki, Y.","4<i>f</i>-Electron Density Distribution in Crystals of CeB~6~ at 165 K and its Analysis Based on the Crystal Field Theory","Acta Crystallographica Section B","1997","53","1","143","152","10.1107/S0108768196009019","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101694","16.228","0.005","8.442","0.004","13.113","0.004","90","","110.26","0.01","90","","1685.3","1.1","295","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H16 Cu N2 S18 -","- C22 H16 Cu N2 S18 -","- C44 H32 Cu2 N4 S36 -","2","1","PA0300","Rahal, M.; Chasseau, D.; Gaultier, J.; Ducasse, L.; Kurmoo, M.; Day, P.","Isothermal Compressibility and Pressure Dependence of the Crystal Structures of the Superconducting Charge-Transfer Salt κ-(BEDT-TTF)~2~Cu(NCS)~2~ [BEDT-TTF = Bis(ethylenedithio)tetrathiafulvalene]","Acta Crystallographica Section B","1997","53","1","159","167","10.1107/S0108768195012122","","","0.71073","MoKα","","","0.051","","","0.06","","","","","1","1","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101695","16.138","0.003","8.3","0.001","12.829","0.003","90","","111.27","0.02","90","","1601.3","0.6","295","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H16 Cu N2 S18 -","- C22 H16 Cu N2 S18 -","- C44 H32 Cu2 N4 S36 -","2","1","PA0300","Rahal, M.; Chasseau, D.; Gaultier, J.; Ducasse, L.; Kurmoo, M.; Day, P.","Isothermal Compressibility and Pressure Dependence of the Crystal Structures of the Superconducting Charge-Transfer Salt κ-(BEDT-TTF)~2~Cu(NCS)~2~ [BEDT-TTF = Bis(ethylenedithio)tetrathiafulvalene]","Acta Crystallographica Section B","1997","53","1","159","167","10.1107/S0108768195012122","","","0.71073","MoKα","","","0.098","","","0.052","","","","","2.4","2.4","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101696","13.684","0.002","13.684","0.002","19.482","0.005","90","","90","","90","","3648","1.2","298","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C4 H8 O35 Si17 -","- C4 O38 Si17 -","- C16 O152 Si68 -","4","0.25","SE0181","Knorr, K.; Depmeier, W.","Room-Temperatrue Structure and Geometrical Analysis of the Cubic‒Tetragonal Phase Transition in Dodecasil 3C-THF","Acta Crystallographica Section B","1997","53","1","18","24","10.1107/S010876819600972X","","","0.71069","MoKα","","","0.034","","","0.094","","","","","1.147","1.147","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101697","8.198","0.002","8.198","0.002","8.198","0.002","90","","90","","90","","551","0.2","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","","","","","- F6 Na Sb -","- F6 Na Sb -","- F24 Na4 Sb4 -","4","0.0208333","SE0203","Sowa, H.","Pressure-Induced <i>Fm</i>-3<i>m</i> <i>R</i>-3 Phase Transition in NaSbF~6~","Acta Crystallographica Section B","1997","53","1","25","31","10.1107/S010876819601066X","","","0.7107","MoKα","","","0.0225","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101698","10.835","0.005","5.279","0.012","7.067","0.008","90","","90","","90","","404.2","0.4","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","Sodium magnesiosilicate","","- Mg Na2 O4 Si -","- Mg Na2 O4 Si -","- Mg4 Na8 O16 Si4 -","4","1","AB0354","Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert","A Modulation Wave Approach to the Structural Characterisation of Three New Cristobalite-related Sodium Magnesiosilicates","Acta Crystallographica, Section B","1997","53","2","203","220","10.1107/S0108768196012335","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101699","10.835","0.005","5.279","0.012","7.067","0.008","90","","90","","90","","404.2","0.4","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","Sodium magnesiosilicate","","- Mg Na2 O4 Si -","- Mg Na2 O4 Si -","- Mg4 Na8 O16 Si4 -","4","1","AB0354","Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert","A Modulation Wave Approach to the Structural Characterisation of Three New Cristobalite-related Sodium Magnesiosilicates","Acta Crystallographica, Section B","1997","53","2","203","220","10.1107/S0108768196012335","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101700","10.835","0.005","5.279","0.012","7.067","0.008","90","","90","","90","","404.2","0.4","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","Sodium magnesiosilicate","","- Mg Na2 O4 Si -","- Mg Na2 O4 Si -","- Mg4 Na8 O16 Si4 -","4","1","AB0354","Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert","A Modulation Wave Approach to the Structural Characterisation of Three New Cristobalite-related Sodium Magnesiosilicates","Acta Crystallographica, Section B","1997","53","2","203","220","10.1107/S0108768196012335","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101701","10.835","0.005","5.279","0.012","7.067","0.008","90","","90","","90","","404.2","0.4","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","Sodium magnesiosilicate","","- Mg Na2 O4 Si -","- Mg Na2 O4 Si -","- Mg4 Na8 O16 Si4 -","4","1","AB0354","Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert","A Modulation Wave Approach to the Structural Characterisation of Three New Cristobalite-related Sodium Magnesiosilicates","Acta Crystallographica, Section B","1997","53","2","203","220","10.1107/S0108768196012335","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101702","10.487","0.007","14.351","0.004","5.243","0.006","90","","90","","90","","789.1","1.1","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Sodium magnesiosilicate","","- Al0.15 Mg0.79 Na1.74 O4 Si1.06 -","- Mg0.865 Na1.74 O4 Si1.135 -","- Mg6.92 Na13.92 O32 Si9.08 -","8","1","AB0354","Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert","A Modulation Wave Approach to the Structural Characterization of Three New Cristobalite-Related Sodium Magnesiosilicates","Acta Crystallographica Section B","1997","53","2","203","220","10.1107/S0108768196012335","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101703","5.33","0.006","5.33","0.006","7.086","0.005","90","","90","","90","","201.3","0.4","293","","293","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Sodium magnesiosilicate","","- Mg0.9 Na1.8 O4 Si1.1 -","- Mg0.9 Na1.8 O4 Si1.1 -","- Mg1.8 Na3.6 O8 Si2.2 -","2","0.25","AB0354","Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert","A Modulation Wave Approach to the Structural Characterization of Three New Cristobalite-Related Sodium Magnesiosilicates","Acta Crystallographica Section B","1997","53","2","203","220","10.1107/S0108768196012335","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101704","4.6085","0.0001","4.6085","0.0001","3.0867","0.0001","90","","90","","90","","65.556","0.003","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","","","","","- O4 Sb0.92 V1.08 -","- O2 Sb V -","- O4 Sb2 V2 -","2","0.125","AB0356","Landa-Cánovas, A. R.; Hansen, S.; Ståhl, K.","Rutile Superstructure of Sb~0.9~V~1.1~O~4~","Acta Crystallographica Section B","1997","53","2","221","230","10.1107/S0108768196012955","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101705","6.5174","","6.5174","","6.1734","","90","","90","","90","","262.224","","","","","","","","","","","","","3","I 41 m d","I 41b -2","","","","","- O4 Sb0.9 V1.1 -","- O4 Sb V -","- O16 Sb4 V4 -","4","0.25","AB0356","Landa-Cánovas, A. R.; Hansen, S.; Ståhl, K.","Rutile Superstructure of Sb~0.9~V~1.1~O~4~","Acta Crystallographica Section B","1997","53","2","221","230","10.1107/S0108768196012955","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101706","8.356","0.002","10.842","0.002","8.544","0.002","90","","94.13","0.02","90","","772","0.3","122","0.5","122","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-(-)-ortho-fluoromandelic acid","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C32 H28 F4 O12 -","4","2","AB0363","Larsen, S.; Marthi, K.","Structures of the Optically Active Monofluoro-Substituted Mandelic Acids: Relation to Their Racemic Counterparts and Thermochemical Properties","Acta Crystallographica Section B","1997","53","2","280","292","10.1107/S0108768196013419","","","1.54184","CuKα","","0.0294","0.0287","","0.0759","0.0749","","","","1.104","1.102","1.102","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101707","8.493","0.003","5.8426","0.0007","15.628","0.003","90","","104.1","0.02","90","","752.1","0.3","112","0.5","112","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-(-)-meta-fluoromandelic acid","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C32 H28 F4 O12 -","4","2","AB0363","Larsen, S.; Marthi, K.","Structures of the Optically Active Monofluoro-Substituted Mandelic Acids: Relation to Their Racemic Counterparts and Thermochemical Properties","Acta Crystallographica Section B","1997","53","2","280","292","10.1107/S0108768196013419","","","1.54184","CuKα","","0.0329","0.0292","","0.0873","0.0827","","","","1.052","1.057","1.057","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101708","8.464","0.002","5.8518","0.0013","15.868","0.002","90","","107.56","0.02","90","","749.3","0.3","122","0.5","122","0.5","","","","","","","","4","C 1 2 1","C 2y","5","","(R)-(-)-para-fluoromandelic acid","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C32 H28 F4 O12 -","4","1","AB0363","Larsen, S.; Marthi, K.","Structures of the Optically Active Monofluoro-Substituted Mandelic Acids: Relation to Their Racemic Counterparts and Thermochemical Properties","Acta Crystallographica Section B","1997","53","2","280","292","10.1107/S0108768196013419","","","0.71073","MoKα","","0.0432","0.0356","","0.1134","0.0948","","","","1.121","1.099","1.099","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101709","9.1314","","12.8672","","13.0317","","90","","126.603","","90","","1229.2","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 Cl2 N2 O2 Sn -","- C6 H12 Cl2 N2 O2 Sn -","- C24 H48 Cl8 N8 O8 Sn4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199469","2020-10-21","18:00:00",""
"2101710","19.463","0.003","18.92","0.003","8.735","0.001","90","","112.5","0.1","90","","2972","2","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H4 F K O4 -","- C3 H2 F K O4 -","- C60 H40 F20 K20 O80 -","20","2.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101711","19.369","0.008","9.06","0.004","28.76","0.01","90","","103.13","0.03","90","","4915","3","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H68 Co2 N10 O6 -","- C42 Co2 N10 O10 -","- C168 Co8 N40 O40 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101712","9.147","0.006","20.925","0.01","11.276","0.013","90","","109.33","0.06","90","","2037","3","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Br4 -","- C20 H24 Br4 -","- C80 H96 Br16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199469","2020-10-21","18:00:00",""
"2101713","10.632","","73.538","","10.097","","90","","90","","90","","7894.4","","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H15 Cl3 N2 O5 S -","- C16 H15 Cl3 N2 O5 S -","- C256 H240 Cl48 N32 O80 S16 -","16","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101714","20.074","","42.388","","10.497","","90","","90","","90","","8931.86","","","","","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C36 H46 F12 N6 Ni O2 P2 -","- C36 H46 F12 N6 Ni O2 P2 -","- C288 H368 F96 N48 Ni8 O16 P16 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199469","2020-10-21","18:00:00",""
"2101715","12.593","0.002","15.466","0.003","20.479","0.003","90","","100.03","0.04","90","","3927.6","1.2","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 F6 N O5 P2 Rh -","- C40 H30 F6 N O5 P2 Rh -","- C160 H120 F24 N4 O20 P8 Rh4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199469","2020-10-21","18:00:00",""
"2101716","13.591","0.006","10.704","0.007","14.416","0.006","90","","101.29","0.01","90","","2056.6","1.8","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H25 Cl2 N2 O10 Rh -","- C14 Cl2 N2 O10 Rh -","- C56 Cl8 N8 O40 Rh4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101717","11.364","","32.149","","12.831","","90","","90","","90","","4687.69","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C11 H14 O6 -","- C11 H14 O6 -","- C176 H224 O96 -","16","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101718","20.712","","32.934","","9.78","","90","","90","","90","","6671.22","","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H30 Cl2 Co O2 P2 -","- C36 H30 Cl2 Co O2 P2 -","- C288 H240 Cl16 Co8 O16 P16 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101719","12.7","0.01","12.6","0.01","24.45","0.02","90","","91","0.1","90","","3912","5","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 Cl3 Cu N O P -","- C16 H21 Cl3 Cu N O P -","- C128 H168 Cl24 Cu8 N8 O8 P8 -","8","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199469","2020-10-21","18:00:00",""
"2101720","14.924","","14.924","","41.145","","90","","90","","120","","7936.3","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C24 H33 Cl3 Ir P3 -","- C24 H33 Cl3 Ir P3 -","- C288 H396 Cl36 Ir12 P36 -","12","0.666667","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101721","17.22","0.02","5.92","0.02","22.14","0.02","90","","116.6","0.5","90","","2018","12","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Cu N3 O4 -","- C20 Cu N2 O4 -","- C80 Cu4 N8 O16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101722","10.217","0.002","19.954","0.003","17.1","0.003","90","","98.14","0.03","90","","3451.1","1.1","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H20 Cr2 O11 P2 -","- C34 H20 Cr2 O11 P2 -","- C136 H80 Cr8 O44 P8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101723","10.017","0.009","19.639","0.008","20.129","0.002","90","","106.744","0.005","90","","3792","4","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H72 Si4 -","- C32 H72 Si4 -","- C128 H288 Si16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101724","14.088","0.003","11.237","0.005","13.331","0.003","90","","90.97","0.02","90","","2110.1","1.1","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H29 Cl5 N2 Sn -","- C8 H24 Cl5 N2 Sn -","- C32 H96 Cl20 N8 Sn4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2101725","14.277","0.004","11.669","0.002","14.163","0.003","90","","90.3","0.02","90","","2359.5","0.9","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H33 Br5 N2 Sn -","- C8 H24 Br5 N2 Sn -","- C32 H96 Br20 N8 Sn4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2101726","20.95","","29.162","","5.603","","90","","90","","90","","3423.12","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H18 N4 O2 P2 -","- C17 H18 N4 O2 P2 -","- C136 H144 N32 O16 P16 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101727","14.003","0.006","18.397","0.007","17.571","0.006","90","","96.46","0.03","90","","4498","3","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H68 Fe Mo2 N3 S10 -","- C20 Fe Mo2 N2 S10 -","- C80 Fe4 Mo8 N8 S40 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101728","12.522","","12.522","","13.833","","90","","90","","120","","1878.43","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H9 O3 P Se -","- C12 H9 O3 P Se -","- C72 H54 O18 P6 Se6 -","6","0.333333","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101729","12.665","0.002","14.449","0.002","18.402","0.003","90","","102.94","0.01","90","","3282","0.9","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 Cl2 N4 Pd2 -","- C20 Cl2 N4 Pd2 -","- C80 Cl8 N16 Pd8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101730","7.59","0.01","11.72","0.02","8.85","0.01","90","","96.3","","90","","782.5","1.9","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 Cl2 Ge O2 -","- C4 H8 Cl2 Ge O2 -","- C16 H32 Cl8 Ge4 O8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2101731","26.54","0.01","9.208","0.003","21.595","0.009","90","","135.3","0.02","90","","3712","3","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H46 Cr4 Mn S6 -","- C32 Cr4 Mn S6 -","- C128 Cr16 Mn4 S24 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101732","26.738","0.005","9.195","0.001","21.419","0.003","90","","135.976","0.002","90","","3659.6","1","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H46 Cr4 Fe S6 -","- C32 H46 Cr4 Fe S6 -","- C128 H184 Cr16 Fe4 S24 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","194525","2020-10-21","18:00:00",""
"2101733","21.04","0.008","9.172","0.003","14.873","0.006","90","","125.05","","90","","2349.7","1.5","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H38 N4 O7 -","- C20 N4 O7 -","- C80 N16 O28 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101734","20.495","","21.172","","11.554","","90","","99.98","","90","","4937.65","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H88 Si4 -","- C40 H88 Si4 -","- C160 H352 Si16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101735","18.706","0.007","9.961","0.001","12.404","0.003","90","","131.36","0.01","90","","1734.8","0.8","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 Cl4 O2 Sb -","- C15 Cl4 O2 Sb -","- C60 Cl16 O8 Sb4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101736","24.002","0.002","11.957","0.003","22.399","0.006","90","","111.805","0.003","90","","5968","2","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H74 O8 P4 Rh6 -","- C40 O8 P4 Rh6 -","- C160 O32 P16 Rh24 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101737","15.348","","15.348","","40.703","","90","","90","","120","","8303.49","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C63 H45 Br3 Ni2 -","- C63 Br3 Ni2 -","- C378 Br18 Ni12 -","6","0.333333","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101738","23.088","0.008","6.987","0.001","23.641","0.008","90","","99.25","0.03","90","","3764.1","1.9","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Cu N6 O4 -","- C36 H36 Cu N6 O4 -","- C144 H144 Cu4 N24 O16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101739","12.423","","22.107","","9.363","","90","","90","","90","","2571.41","","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C128 H128 O16 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101740","21.32","0.005","21.869","0.003","13.029","0.005","90","","118.28","0.01","90","","5350","3","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H47 Cu6 Mo6 N3 O7 S19 -","- Cu6 Mo6 O6 S19 -","- Cu24 Mo24 O24 S76 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101741","15.994","0.005","11.238","0.003","21.793","0.006","90","","102.41","0.02","90","","3825.6","1.9","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C160 H256 O40 -","8","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101742","14.207","0.004","24.289","0.004","11.773","0.002","90","","96.27","0.02","90","","4038.3","1.5","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H46 O14 V2 -","- C32 H38 O14 V2 -","- C128 H152 O56 V8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101743","17.399","0.004","11.655","0.003","8.701","0.004","90","","95.86","0.02","90","","1755.2","1","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 B Cs O14 -","- C12 B Cs O14 -","- C48 B4 Cs4 O56 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101744","11.969","","14.057","","10.851","","90","","120.59","","90","","1571.59","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 N O2 -","- C17 H30 N O2 -","- C68 H120 N4 O8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101745","18.8487","0.0007","11.1363","0.0003","12.406","0.0007","90","","108.535","0.004","90","","2469","0.19","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co N6 O9 S2 -","- C18 Co N6 O9 S2 -","- C72 Co4 N24 O36 S8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101746","22.08","0.02","14.47","0.01","30.72","0.02","90","","95.1","0.5","90","","9776","15","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H38 O6 P2 Pt -","- C54 O6 P2 Pt -","- C432 O48 P16 Pt8 -","8","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101747","10.127","0.002","19.197","0.004","12.23","0.003","90","","90.39","0.02","90","","2377.6","0.9","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H38 Co N2 O4 -","- C20 H34 Co N2 O4 -","- C80 H136 Co4 N8 O16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101748","16.484","0.005","7.725","0.002","17.1","0.002","90","","116.67","0.02","90","","1945.8","0.9","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Ag N9 O3 -","- C20 Ag N9 O3 -","- C80 Ag4 N36 O12 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101749","12.192","0.002","14.125","0.002","20.474","0.004","90","","92.85","0.02","90","","3521.5","1","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cl N2 O P2 Rh -","- C39 H34 N2 P2 Rh -","- C156 H136 N8 P8 Rh4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101750","10.144","0.002","7.866","0.002","15.503","0.004","90","","105.02","0.02","90","","1194.8","0.5","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H16 O5 Si2 -","- C9 H16 O5 Si2 -","- C36 H64 O20 Si8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101751","16.445","0.004","13.889","0.004","12.77","0.003","90","","122.82","0.01","90","","2451.2","1.1","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Cu2 N10 O11 S2 -","- C14 Cu2 N10 O11 S2 -","- C56 Cu8 N40 O44 S8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101752","15.524","","15.524","","17.294","","90","","90","","90","","4167.76","","","","","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C9 H29 I O2 Sn3 -","- C9 H29 I O2 Sn3 -","- C72 H232 I8 O16 Sn24 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","189073","2020-10-21","18:00:00",""
"2101753","15.508","","59.948","0.006","7.226","0.001","90","","90","","90","","6717.8","1.1","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H23 N3 O11.5 V -","- C10 H9 N3 O11.5 V -","- C160 H144 N48 O184 V16 -","16","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199468","2020-10-21","18:00:00",""
"2101754","11.421","0.001","6.019","0.001","10.177","0.001","90","","104.62","0.01","90","","676.95","0.15","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C20 H24 N8 O16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101755","15.91","0.009","13.04","0.004","16.522","0.007","90","","116.33","0.03","90","","3072","2","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H39 N3 O4 Sr -","- C32 H39 N3 O4 Sr -","- C128 H156 N12 O16 Sr4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2101756","14.911","0.002","10.589","0.001","8.765","0.001","90","","114.21","0.01","90","","1262.2","0.3","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 Cu F6 N S2 -","- C7 H10 Cu F6 N S2 -","- C28 H40 Cu4 F24 N4 S8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101757","16.153","","43.501","","11.429","","90","","90","","90","","8030.83","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C32 H48 I2 Na2 O14 -","- C32 I2 Na2 O14 -","- C256 I16 Na16 O112 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101758","22.643","","22.643","","13.401","","90","","90","","120","","5950.26","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C24 H67 N25 Si4 -","- C24 H48 N25 Si4 -","- C144 H288 N150 Si24 -","6","0.333333","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101759","12.967","0.001","13.801","0.001","20.368","0.002","90","","94.7","0.01","90","","3632.8","0.5","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H37 Cl O P2 Ru -","- C43 H37 P2 Ru -","- C172 H148 P8 Ru4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","191021","2020-10-21","18:00:00",""
"2101760","32.228","0.013","16.373","0.006","20.689","0.005","90","","114.49","0.02","90","","9935","6","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H80 Si5 -","- C44 Si5 -","- C352 Si40 -","8","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101761","17.601","0.007","12.906","0.007","14.107","0.008","90","","124.08","0.04","90","","2654","3","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H38 N6 O16 S2 W2 -","- C12 H38 N6 O15 S2 W2 -","- C48 H152 N24 O60 S8 W8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2101762","17.635","0.002","9.561","0.001","18.234","0.004","90","","97.24","0.01","90","","3049.9","0.8","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 O12 Rh6 -","- C24 O12 Rh6 -","- C96 O48 Rh24 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101763","33.226","0.003","11.986","0.002","14.102","0.002","90","","92.72","0.05","90","","5609.7","1.3","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 N9 S3 Y -","- C25 H26 N9 S3 Y -","- C200 H208 N72 S24 Y8 -","8","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101764","33.244","0.003","11.976","0.002","14.164","0.002","90","","92.72","0.05","90","","5632.8","1.4","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 Eu N9 S3 -","- C25 H26 Eu N9 S3 -","- C200 H208 Eu8 N72 S24 -","8","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101765","9.503","0.002","16.429","0.006","15.18","","90","","90","","90","","2370","1","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C15 H14 N2 -","- C15 H14 N2 -","- C120 H112 N16 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101766","24.952","0.002","9.179","0.001","15.262","0.001","90","","116.34","0.02","90","","3132.6","0.7","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H31 Ag O2 P2 -","- C37 Ag O2 P2 -","- C148 Ag4 O8 P8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101767","17.333","0.006","16.072","0.005","12.354","0.004","90","","96.48","0.04","90","","3420","2","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 F12 Pt S2 -","- C36 F12 Pt S2 -","- C144 F48 Pt4 S8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101768","30.71","0.02","18.495","","9.685","0.005","90","","90","","90","","5501","5","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C26 H38 As Cl Si2 Ti2 -","- C26 H38 As Cl Si2 Ti2 -","- C208 H304 As8 Cl8 Si16 Ti16 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","194525","2020-10-21","18:00:00",""
"2101769","24.4019","0.0006","11.9871","0.0005","7.4982","0.0003","90","","103.749","0.004","90","","2130.44","0.14","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cl2 N4 Ni O12 -","- C14 Cl2 N4 Ni O12 -","- C56 Cl8 N16 Ni4 O48 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101770","19.169","0.008","9.079","0.004","14.636","0.006","90","","127.21","0.02","90","","2028.6","1.6","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 N2 O4 -","- C20 H32 N2 O4 -","- C80 H128 N8 O16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101771","36.69","0.01","8.302","0.008","11.732","0.008","90","","90.02","0.06","90","","3574","4","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cl Hg N2 S18 -","- C22 Cl Hg N2 S18 -","- C88 Cl4 Hg4 N8 S72 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101772","15.524","0.003","8.52","0.002","15.588","0.003","90","","108.64","0.03","90","","1953.6","0.8","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 Ni O4 -","- C16 H28 Ni O4 -","- C64 H112 Ni4 O16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101773","24.758","","15.25","0.002","18.811","","90","","129.98","","90","","5442.2","0.7","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H35 O P Ru Si2 -","- C28 H35 O P Ru Si2 -","- C224 H280 O8 P8 Ru8 Si16 -","8","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","194529","2020-10-21","18:00:00",""
"2101774","52.7","0.1","4.81","0.01","8.86","0.02","90","","113.7","0.2","90","","2056","8","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H39 O2 P -","- C18 O2 P -","- C72 O8 P4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101775","24.301","0.009","8.075","0.002","18.131","0.006","90","","91.44","0.03","90","","3557","2","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H25 Cl6 Cu N5 O7 -","- C32 Cl6 Cu N5 O7 -","- C128 Cl24 Cu4 N20 O28 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101776","26.24","0.009","6.109","0.003","26.756","0.009","90","","87.9","0.1","90","","4286","3","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 O4 -","- C25 H24 O4 -","- C200 H192 O32 -","8","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101777","12.332","0.006","13.867","0.008","9.443","0.005","90","","122.75","0.05","90","","1358.1","1.5","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 F12 O5 Sb2 -","- C4 F12 O5 Sb2 -","- C16 F48 O20 Sb8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101778","16.143","0.009","7.067","0.007","15.058","0.018","90","","108.72","0.08","90","","1627","3","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 I2 N2 O7 -","- C12 H10 I2 N2 O7 -","- C48 H40 I8 N8 O28 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199469","2020-10-21","18:00:00",""
"2101779","17.481","0.004","15.05","0.003","18.15","0.006","90","","95.23","0.02","90","","4755","2","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H44 B F5 Mo O P4 -","- C52 F2 Mo O2 P4 -","- C208 F8 Mo4 O8 P16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101780","13.506","0.004","11.081","0.002","15.577","0.005","90","","92.68","0.03","90","","2328.7","1.1","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 O2 Yb -","- C26 H30 O2 Yb -","- C104 H120 O8 Yb4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2101781","15.305","","15.305","","19.451","","90","","90","","120","","3945.84","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C15 H45 N3 Si4 Ti -","- C15 N3 Si4 Ti -","- C90 N18 Si24 Ti6 -","6","0.333333","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101782","15.351","","15.351","","19.52","","90","","90","","120","","3983.67","","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C15 H45 Ge N3 Si3 Ti -","- C15 Ge N3 Si3 Ti -","- C90 Ge6 N18 Si18 Ti6 -","6","0.333333","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101783","13.413","0.007","9.063","0.004","12.261","0.009","90","","121.71","0.06","90","","1268","1.5","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl2 N2 Pt -","- C12 Cl2 N2 Pt -","- C48 Cl8 N8 Pt4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101784","14.132","0.003","75.251","","8.828","0.008","90","","90","","90","","9388","9","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C24 H36 Ir2 S -","- C24 H34 Ir2 S -","- C384 H544 Ir32 S16 -","16","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101785","14.501","","8.236","0.001","14.858","0.008","90","","112.53","","90","","1639.1","0.9","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cl Cu N2 O4 -","- C14 H6 Cl Cu N2 O4 -","- C56 H24 Cl4 Cu4 N8 O16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101786","17.213","0.007","6.342","0.003","8.168","0.004","90","","97.7","0.03","90","","883.6","0.7","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 F6 Na2 O4 Sb2 -","- C2 F6 Na2 O4 Sb2 -","- C8 F24 Na8 O16 Sb8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101787","27.429","0.005","7.664","0.003","13.183","0.004","90","","109.04","0.01","90","","2619.7","1.4","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Cl4 O4 -","- C28 H26 Cl4 O4 -","- C112 H104 Cl16 O16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101788","18.391","0.002","9.753","0.001","21.664","0.003","90","","120.094","0.008","90","","3362","0.7","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H31 Cl2 F2 P2 Rh -","- C37 Cl2 P2 Rh -","- C148 Cl8 P8 Rh4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101789","26.354","0.003","5.163","0.001","23.654","0.003","90","","91.2","0.1","90","","3217.8","0.8","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Br N O -","- C20 H16 Br N O -","- C160 H128 Br8 N8 O8 -","8","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101790","15.927","0.004","11.726","0.002","14.422","0.007","90","","91.38","0.03","90","","2692.7","1.5","","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C13 H34 B2 Co F8 N P4 S2 -","- C13 B2 Co F8 N P4 S2 -","- C52 B8 Co4 F32 N4 P16 S8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101791","56.474","0.008","11.457","","6.185","","90","","90","","90","","4001.8","0.6","","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C27 H22 N2 -","- C27 N2 -","- C216 N16 -","8","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101792","9.198","0.002","12.444","0.002","9.963","0.003","90","","96.76","0.02","90","","1132.4","0.5","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 Co N7 O6 -","- C4 H16 Co N7 O6 -","- C16 H64 Co4 N28 O24 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101793","25.448","0.007","8.483","0.002","14.512","0.003","90","","101.53","0.02","90","","3069.6","1.3","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H40 O2 Ti2 -","- C37 H40 O2 Ti2 -","- C148 H160 O8 Ti8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101794","20.444","0.007","9.764","0.004","19.589","0.009","90","","104.27","0.03","90","","3790","3","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 O12 Rh6 S4 -","- C20 H24 O12 Rh6 S4 -","- C80 H96 O48 Rh24 S16 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","194525","2020-10-21","18:00:00",""
"2101795","25.442","0.008","10.051","0.003","27.062","0.01","90","","94.5","0.1","90","","6899","4","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C73 H108 O12 -","- C73 H108 O12 -","- C292 H432 O48 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101796","12.972","0.003","10.537","0.002","9.567","0.002","90","","104.09","0.03","90","","1268.3","0.5","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Br2 N2 -","- C13 H10 Br2 N2 -","- C52 H40 Br8 N8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101797","18.715","0.004","18.401","0.004","12.794","0.003","90","","122.09","0.02","90","","3732.8","1.7","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34.12 H41.48 Cl2 Co N5 O3.12 S2 -","- C31 H29 Cl2 Co N5 S2 -","- C124 H116 Cl8 Co4 N20 S8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199468","2020-10-21","18:00:00",""
"2101798","17.47","","25.519","0.011","19.9","","90","","90","","90","","8872","4","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H23 Ni P S4 W -","- C11 Ni P S4 W -","- C176 Ni16 P16 S64 W16 -","16","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101799","20.808","0.002","12.368","0.002","20.514","0.002","90","","111.446","0.008","90","","4913.8","1.1","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 Cl6 N2 O6 P2 Rh2 -","- C46 H34 Cl6 N2 O6 P2 Rh2 -","- C184 H136 Cl24 N8 O24 P8 Rh8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101800","15.805","0.005","12.727","0.003","18.157","0.005","90","","97.67","0.02","90","","3619.6","1.7","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H50 Al4 Cl4 O8 -","- C21 Al4 Cl4 O8 -","- C84 Al16 Cl16 O32 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101801","13.203","","13.203","","9.639","","90","","90","","120","","1455.15","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C6 H9 As O6 -","- C6 H9 As O6 -","- C36 H54 As6 O36 -","6","0.333333","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101802","37.329","0.009","24.606","","5.876","0.003","90","","90","","90","","5397","3","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C17 H15 Fe N -","- C17 H15 Fe N -","- C272 H240 Fe16 N16 -","16","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","199471","2020-10-21","18:00:00",""
"2101803","15.044","0.001","32.288","","5.288","0.001","90","","90","","90","","2568.6","0.5","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C6 H4 N2 O2 -","- C6 H4 N2 O2 -","- C96 H64 N32 O32 -","16","1","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101804","18.154","0.005","12.533","0.002","14.447","0.003","90","","101.69","0.02","90","","3218.9","1.2","","","","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C15 H38 B2 Co F8 N O8 P4 S2 -","- C15 B2 Co F8 N O8 P4 S2 -","- C60 B8 Co4 F32 N4 O32 P16 S8 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101805","12.9","0.003","7.74","0.002","49.85","0.01","90","","90.65","0.03","90","","4977","2","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H20 N4 S24 -","- C40 H20 N4 S24 -","- C160 H80 N16 S96 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101806","9.792","0.001","16.978","0.003","9.371","0.001","90","","115.02","0.01","90","","1411.7","0.3","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 O -","- C17 H24 O -","- C68 H96 O4 -","4","0.5","AN0533","Marsh, R. E.","The perils of <i>Cc</i> revisited","Acta Crystallographica Section B","1997","53","2","317","322","10.1107/S010876819601381X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101807","22.55","0.02","37.14","0.01","18.994","0.007","90","","114.6","0.05","90","","14464","16","295.2","","295.2","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C80 H112 N8 Ni -","- C80 H112 N8 Ni -","- C640 H896 N64 Ni8 -","8","1","AN0534","Helliwell, M.; Deacon, A.; Moon, K. J.; Powell, A. K.; Cook, M. J.","Two Crystal Structures Towards the Discotic Columnar Mesophase of (1,4,8,11,15,18,22,25-Octahexylphthalocyaninato)nickel","Acta Crystallographica Section B","1997","53","2","231","240","10.1107/S0108768196013043","","","1.5418","CuKα","","","0.165","","","0.1347","","","","","3.294","3.294","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101808","22.347","0.0013","37.246","0.0013","18.834","0.003","90","","115.185","0.01","90","","14186","3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H112 N8 Ni -","- C80 H112 N8 Ni -","- C640 H896 N64 Ni8 -","8","2","AN0534","Helliwell, M.; Deacon, A.; Moon, K. J.; Powell, A. K.; Cook, M. J.","Two Crystal Structures Towards the Discotic Columnar Mesophase of (1,4,8,11,15,18,22,25-Octahexylphthalocyaninato)nickel","Acta Crystallographica Section B","1997","53","2","231","240","10.1107/S0108768196013043","","","0.504","Synchrotron","","0.1237","0.0687","","0.2117","0.1599","","","","1.103","1.116","1.116","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2101809","11.21","0.003","15.181","0.004","7.734","0.002","90","","102.75","0.03","90","","1283.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(2)","","","- C13 H11 N3 O4 -","- C13 H11 N3 O4 -","- C52 H44 N12 O16 -","4","1","DE0002","Khatib, S.; Botoshansky, M.; Eichen, Y.","Effects of Crystal Packing on Photoinduced Proton-Transfer Processes of 2,4-Dinitrobenzylpyridine Derivatives","Acta Crystallographica Section B","1997","53","2","306","316","10.1107/S0108768196013729","","","0.7107","MoKα","","0.074","0.0566","","0.213","0.1659","","","","1.262","1.091","1.091","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101810","10.214","0.003","13.221","0.004","10.068","0.003","92.12","0.03","105.29","0.03","89.55","0.03","1310.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","(3)","alpha-(2-pyridine)-2,4-dinitrophenylethenyl","","- C13 H11 N3 O4 -","- C13 H11 N3 O4 -","- C52 H44 N12 O16 -","4","2","DE0002","Khatib, S.; Botoshansky, M.; Eichen, Y.","Effects of Crystal Packing on Photoinduced Proton-Transfer Processes of 2,4-Dinitrobenzylpyridine Derivatives","Acta Crystallographica Section B","1997","53","2","306","316","10.1107/S0108768196013729","","","0.7107","MoKα","","0.1329","0.064","","0.2129","0.125","","","","1.183","1.342","1.342","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101811","9.941","0.003","11.195","0.003","15.463","0.005","90","","102.29","0.03","90","","1681.4","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(4)","","","- C18 H14 N4 O4 -","- C18 H14 N4 O4 -","- C72 H56 N16 O16 -","4","1","DE0002","Khatib, S.; Botoshansky, M.; Eichen, Y.","Effects of Crystal Packing on Photoinduced Proton-Transfer Processes of 2,4-Dinitrobenzylpyridine Derivatives","Acta Crystallographica Section B","1997","53","2","306","316","10.1107/S0108768196013729","","","0.7107","MoKα","","0.1064","0.0575","","0.1723","0.1214","","","","1.108","1.23","1.23","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101812","17.983","0.002","20.682","0.003","9.384","0.006","90","","90","","90","","3490","2","294","","294.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 O3 P2 -","- C42 H35 O3 P2 -","- C168 H140 O12 P8 -","4","1","FG0006","Fu, T. Y.; Liu, Z.; Olovsson, G.; Scheffer, J. R.; Trotter, J.","Structures and Photochemistry of Inclusion Compounds of 9,10-Dihydro-9,10-ethenoanthracene-11,12-bis(diphenylphosphine Oxide)","Acta Crystallographica Section B","1997","53","2","293","299","10.1107/S0108768196013602","","","1.5418","CuKα","","0.0601","0.0386","","0.0426","0.0411","","","","2.372","2.564","2.564","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101813","18.191","0.001","20.748","0.002","9.436","0.002","90","","90","","90","","3561.4","0.9","294","","294.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H38 O3 P2 -","- C43 H37 O3 P2 -","- C172 H148 O12 P8 -","4","1","FG0006","Fu, T. Y.; Liu, Z.; Olovsson, G.; Scheffer, J. R.; Trotter, J.","Structures and Photochemistry of Inclusion Compounds of 9,10-Dihydro-9,10-ethenoanthracene-11,12-bis(diphenylphosphine Oxide)","Acta Crystallographica Section B","1997","53","2","293","299","10.1107/S0108768196013602","","","1.5418","CuKα","","0.1244","0.0396","","0.079","0.039","","","","3.504","2.102","2.102","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101814","18.076","0.002","20.904","0.002","9.432","0.006","90","","90","","90","","3564","2","294","","294.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H38 O3 P2 -","- C43 H37 O3 P2 -","- C172 H148 O12 P8 -","4","1","FG0006","Fu, T. Y.; Liu, Z.; Olovsson, G.; Scheffer, J. R.; Trotter, J.","Structures and Photochemistry of Inclusion Compounds of 9,10-Dihydro-9,10-ethenoanthracene-11,12-bis(diphenylphosphine Oxide)","Acta Crystallographica Section B","1997","53","2","293","299","10.1107/S0108768196013602","","","1.5418","CuKα","","0.101","0.0415","","0.045","0.0413","","","","1.739","2.066","2.066","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101815","18.223","0.002","9.435","0.003","21.946","0.002","90","","103.43","0.007","90","","3670.1","1.3","294","","294.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 O4 P2 -","- C44 H38 O4 P2 -","- C176 H152 O16 P8 -","4","1","FG0006","Fu, T. Y.; Liu, Z.; Olovsson, G.; Scheffer, J. R.; Trotter, J.","Structures and Photochemistry of Inclusion Compounds of 9,10-Dihydro-9,10-ethenoanthracene-11,12-bis(diphenylphosphine Oxide)","Acta Crystallographica Section B","1997","53","2","293","299","10.1107/S0108768196013602","","","1.5418","CuKα","","0.12","0.049","","0.085","0.058","","","","","2.98","2.98","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101816","10.21","0.001","21.152","0.003","16.462","0.001","90","","95.916","0.007","90","","3536.2","0.6","294","","294","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 O3 -","- C45 H38 O3 -","- C180 H152 O12 -","4","1","FG0007","Fu, T. Y.; Scheffer, J. R.; Trotter, J.","Structures and Photochemistry of Inclusion Compounds of 9,10-Dihydro-9,10-ethenoanthracene-11,12-bis(diphenylmethanol)","Acta Crystallographica Section B","1997","53","2","300","305","10.1107/S0108768196013614","","","1.5418","CuKα","","","0.043","","","0.046","","","","","2.81","2.81","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101817","13.623","0.003","15.96","0.005","15.95","0.002","90","","98.54","0.02","90","","3429.4","1.4","294","","294","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 O3 -","- C44 H38 O3 -","- C176 H152 O12 -","4","1","FG0007","Fu, T. Y.; Scheffer, J. R.; Trotter, J.","Structures and Photochemistry of Inclusion Compounds of 9,10-Dihydro-9,10-ethenoanthracene-11,12-bis(diphenylmethanol)","Acta Crystallographica Section B","1997","53","2","300","305","10.1107/S0108768196013614","","","1.5418","CuKα","","","0.056","","","0.06","","","","","3.8","3.8","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101818","10.703","0.002","10.208","0.003","34.057","0.002","90","","98.604","0.008","90","","3679.1","1.3","294","","294","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C49 H40 O2 -","- C49 H40 O2 -","- C196 H160 O8 -","4","1","FG0007","Fu, T. Y.; Scheffer, J. R.; Trotter, J.","Structures and Photochemistry of Inclusion Compounds of 9,10-Dihydro-9,10-ethenoanthracene-11,12-bis(diphenylmethanol)","Acta Crystallographica Section B","1997","53","2","300","305","10.1107/S0108768196013614","","","1.5418","CuKα","","0.1465","0.0525","","0.0803","0.069","","","","1.584","2.1","2.1","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101819","8.854","0.006","9.992","0.003","32.04","0.02","90","","97.34","0.03","90","","2811","3","291","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H45 N5 O4 S2 -","- C20 H44 N5 O4 S2 -","- C80 H176 N20 O16 S8 -","4","1","HR0032","Li, Q.; Mak, T. C. W.","Inclusion Compounds of Thiourea and Peralkylated Ammonium Salts. VI. Hydrogen-Bonded Host Lattices Constructed From Thiourea and Anions of Oxalic Acid and Fumaric Acid","Acta Crystallographica Section B","1997","53","2","252","261","10.1107/S0108768196012918","","","0.71073","MoKα","","","0.055","","","0.056","","","","","1.63","1.63","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101820","6.269","0.002","8.118","0.004","14.562","0.008","104.79","0.04","91.72","0.04","101.3","0.04","700.1","0.6","291","","","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H19 N3 O4 S -","- C9 H7 N3 O4 S -","- C18 H14 N6 O8 S2 -","2","1","HR0032","Li, Q.; Mak, T. C. W.","Inclusion Compounds of Thiourea and Peralkylated Ammonium Salts. VI. Hydrogen-Bonded Host Lattices Constructed From Thiourea and Anions of Oxalic Acid and Fumaric Acid","Acta Crystallographica Section B","1997","53","2","252","261","10.1107/S0108768196012918","","","0.71073","MoKα","","","0.078","","","0.089","","","","","1.41","1.41","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101821","11.34","0.002","9.293","0.006","14.619","0.002","90","","102.41","0.01","90","","1504.6","1","291","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H50 N6 O4 S2 -","- C22 H48 N6 O4 S2 -","- C44 H96 N12 O8 S4 -","2","0.5","HR0032","Li, Q.; Mak, T. C. W.","Inclusion Compounds of Thiourea and Peralkylated Ammonium Salts. VI. Hydrogen-Bonded Host Lattices Constructed From Thiourea and Anions of Oxalic Acid and Fumaric Acid","Acta Crystallographica Section B","1997","53","2","252","261","10.1107/S0108768196012918","","","0.71073","MoKα","","","0.05","","","0.057","","","","","1.11","1.11","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101822","16.866","0.004","8.311","0.001","17.603","0.002","90","","104.94","0.01","90","","2384.1","0.7","291","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C17 H39 N3 O6 S -","- C17 H39 N3 O6 S -","- C68 H156 N12 O24 S4 -","4","1","HR0032","Li, Q.; Mak, T. C. W.","Inclusion Compounds of Thiourea and Peralkylated Ammonium Salts. VI. Hydrogen-Bonded Host Lattices Constructed From Thiourea and Anions of Oxalic Acid and Fumaric Acid","Acta Crystallographica Section B","1997","53","2","252","261","10.1107/S0108768196012918","","","0.71073","MoKα","","","0.048","","","0.057","","","","","1.72","1.72","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101823","8.768","0.005","11.036","0.006","19.79","0.01","90","","96.92","0.04","90","","1901","1.8","291","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H28 Cl N5 Se2 -","- C10 H28 Cl N5 Se2 -","- C40 H112 Cl4 N20 Se8 -","4","1","HR0033","Li, Q.; Mak, T. C. W.","New Inclusion Compounds of Selenourea with Tetraethyl- and Tetra-<i>n</i>-propylammonium Halides","Acta Crystallographica Section B","1997","53","2","262","271","10.1107/S010876819601292X","","","0.71073","MoKα","","","0.055","","","0.055","","","","","1.33","1.33","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101824","18.091","0.004","13.719","0.003","11.539","0.002","90","","111.93","0.03","90","","2656.6","1.1","291","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C15 H40 Cl N7 Se3 -","- C15 H40 Cl N7 Se3 -","- C60 H160 Cl4 N28 Se12 -","4","1","HR0033","Li, Q.; Mak, T. C. W.","New Inclusion Compounds of Selenourea with Tetraethyl- and Tetra-<i>n</i>-propylammonium Halides","Acta Crystallographica Section B","1997","53","2","262","271","10.1107/S010876819601292X","","","0.71073","MoKα","","","0.051","","","0.051","","","","","1.66","1.66","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101825","18.309","0.004","13.807","0.003","11.577","0.002","90","","112.45","0.03","90","","2704.8","1.1","291","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C15 H40 Br N7 Se3 -","- C15 H40 Br N7 Se3 -","- C60 H160 Br4 N28 Se12 -","4","1","HR0033","Li, Q.; Mak, T. C. W.","New Inclusion Compounds of Selenourea with Tetraethyl- and Tetra-<i>n</i>-propylammonium Halides","Acta Crystallographica Section B","1997","53","2","262","271","10.1107/S010876819601292X","","","0.71073","MoKα","","","0.049","","","0.048","","","","","1.25","1.25","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101826","8.976","0.001","14.455","0.002","15.377","0.003","90","","94.16","0.01","90","","1989.9","0.5","291","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H32 I N3 Se -","- C13 H32 I N3 Se -","- C52 H128 I4 N12 Se4 -","4","1","HR0033","Li, Q.; Mak, T. C. W.","New Inclusion Compounds of Selenourea with Tetraethyl- and Tetra-<i>n</i>-propylammonium Halides","Acta Crystallographica Section B","1997","53","2","262","271","10.1107/S010876819601292X","","","0.71073","MoKα","","","0.062","","","0.066","","","","","1.5","1.5","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101827","9.155","0.002","32.074","0.003","7.35","0.001","90","","90.9","0.01","90","","2158","0.6","290","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H20 N O4 P -","- C7 H20 N O4 P -","- C56 H160 N8 O32 P8 -","8","2","SH0085","Fabry, Jan; Petricek, Vaclav; Kroupa, Jan; Cisarova, Ivana","Revision of Ferroelastic Structures of <i>n</i>-Heptyl- and <i>n</i>-Octylammonium Dihydrogen Phosphate Crystals","Acta Crystallographica Section B","1997","53","2","272","279","10.1107/S0108768196012426","","","0.71073","MoKα","","","0.039","","","0.0594","","","","1.53","1.66","1.66","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101828","9.163","0.001","34.677","0.004","7.361","0.007","90","","90.81","0.01","90","","2339","2","290","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 N O4 P -","- C8 H22 N O4 P -","- C64 H176 N8 O32 P8 -","8","2","SH0085","Fabry, Jan; Petricek, Vaclav; Kroupa, Jan; Cisarova, Ivana","Revision of Ferroelastic Structures of <i>n</i>-Heptyl- and <i>n</i>-Octylammonium Dihydrogen Phosphate Crystals","Acta Crystallographica Section B","1997","53","2","272","279","10.1107/S0108768196012426","","","0.71073","MoKα","","","0.0333","","","0.0478","","","","1.19","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101829","6.751","0.004","11.746","0.007","12.003","0.008","90","","90","","90","","951.8","1","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H14 Ni O11 S -","- H14 Ni O11 S -","- H56 Ni4 O44 S4 -","4","1","AB0357","Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J.","Charge Density in Orthorhombic NiSO~4~.7H~2~O at Room Temperature and 25 K","Acta Crystallographica Section B","1997","53","3","325","336","10.1107/S0108768196014061","","","0.71069","MoKα","","","0.0137","","","0.0327","","","","","2.162","2.162","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101830","6.706","0.003","11.796","0.006","11.949","0.006","90","","90","","90","","945","1","25","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H14 Ni O11 S -","- H14 Ni O11 S -","- H56 Ni4 O44 S4 -","4","1","AB0357","Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J.","Charge Density in Orthorhombic NiSO~4~.7H~2~O at Room Temperature and 25 K","Acta Crystallographica Section B","1997","53","3","325","336","10.1107/S0108768196014061","","neutron","1.215","neutron","","","0.034","","","0.046","","","","","1.68","1.68","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2101831","6.706","0.003","11.796","0.006","11.949","0.006","90","","90","","90","","945","1","25","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H14 Ni O11 S -","- H14 Ni O11 S -","- H56 Ni4 O44 S4 -","4","1","AB0357","Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J.","Charge Density in Orthorhombic NiSO~4~.7H~2~O at Room Temperature and 25 K","Acta Crystallographica Section B","1997","53","3","325","336","10.1107/S0108768196014061","","","0.71069","MoKα","","","0.0149","","","0.0338","","","","","1.458","1.458","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2101832","11.385","0.002","6.5565","0.0012","13.076","0.002","90","","96.24","0.011","90","","970.3","0.3","294","1","294","1","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","1,4-Diazabicyclo[2.2.2]octane- 4,4'-Isopropylidenediphenol (1/1)","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C42 H56 N4 O4 -","2","0.5","AB0360","Ferguson, George","Crystal Engineering Using Bisphenols. Chains, Ladders and Sheets Formed by the Adducts of 1,4-Diazabicyclo[2.2.2]octane with Bisphenols: Structures of Adducts with 4,4'-Isopropylidenediphenol (1/1), 4,4'-Oxodiphenol (1/1) and 4,4'-Thiodiphenol (1/1 and 2/1)","Acta Crystallographica Section B","1997","53","3","513","520","10.1107/S0108768196014036","","","0.7107","MolybdenumKα","","0.1786","0.0587","","0.1707","0.1389","","","","0.928","1.246","1.246","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101833","9.4222","0.0011","11.1886","0.0015","15.694","0.002","90","","90","","90","","1654.5","0.4","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-Diazabicyclo[2.2.2]octane- 4,4'-Oxodiphenol (1/1)","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C72 H88 N8 O12 -","4","1","AB0360","Ferguson, George","Crystal Engineering Using Bisphenols. Chains, Ladders and Sheets Formed by the Adducts of 1,4-Diazabicyclo[2.2.2]octane with Bisphenols: Structures of Adducts with 4,4'-Isopropylidenediphenol (1/1), 4,4'-Oxodiphenol (1/1) and 4,4'-Thiodiphenol (1/1 and 2/1)","Acta Crystallographica Section B","1997","53","3","513","520","10.1107/S0108768196014036","","","0.7107","MolybdenumKα","","0.0981","0.0582","","0.134","0.1197","","","","0.951","1.181","1.181","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101834","9.5785","0.0011","11.4525","0.0013","15.759","0.002","90","","90","","90","","1728.7","0.4","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,4-Diazabicyclo[2.2.2]octane- 4,4'-Thiodiphenol (1/1)","","- C18 H22 N2 O2 S -","- C18 H22 N2 O2 S -","- C72 H88 N8 O8 S4 -","4","1","AB0360","Ferguson, George","Crystal Engineering Using Bisphenols. Chains, Ladders and Sheets Formed by the Adducts of 1,4-Diazabicyclo[2.2.2]octane with Bisphenols: Structures of Adducts with 4,4'-Isopropylidenediphenol (1/1), 4,4'-Oxodiphenol (1/1) and 4,4'-Thiodiphenol (1/1 and 2/1)","Acta Crystallographica Section B","1997","53","3","513","520","10.1107/S0108768196014036","","","0.7107","MolybdenumKα","","0.1407","0.0724","","0.1762","0.1531","","","","0.973","1.262","1.262","","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2101835","8.3198","0.0009","11.4006","0.0013","15.056","0.002","90","","104.955","0.008","90","","1379.7","0.3","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4-Diazabicyclo[2.2.2]octane- 4,4'-Thiodiphenol (2/1)","","- C30 H32 N2 O4 S2 -","- C30 H32 N2 O4 S2 -","- C60 H64 N4 O8 S4 -","2","0.5","AB0360","Ferguson, George","Crystal Engineering Using Bisphenols. Chains, Ladders and Sheets Formed by the Adducts of 1,4-Diazabicyclo[2.2.2]octane with Bisphenols: Structures of Adducts with 4,4'-Isopropylidenediphenol (1/1), 4,4'-Oxodiphenol (1/1) and 4,4'-Thiodiphenol (1/1 and 2/1)","Acta Crystallographica Section B","1997","53","3","513","520","10.1107/S0108768196014036","","","0.7107","MolybdenumKα","","0.1433","0.0638","","0.1526","0.1294","","","","0.939","1.173","1.173","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101836","15.029","0.002","9.7954","0.0008","5.9817","0.0011","90","","90","","90","","880.6","0.2","294","1","294","1","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C18 H22 N4 O2 S -","- C18 H22 N4 O2 S -","- C36 H44 N8 O4 S2 -","2","0.5","AB0361","Ferguson, George","Crystal Engineering Using Bisphenols and Trisphenols. Complexes with Hexamethylenetetramine (HMTA): Strings, Multiple Helices and Chains-of-Rings in the Crystal Structures of the Adducts of HTMA with 4,4'-Thiodiphenol (1/1), 4,4'-Sulfonyldiphenol (1/1), 4,4'-Isopropylidenediphenol (1/1), 1,1,1-Tris(4-hydroxyphenyl)ethane (1/2) and 1,3,5-Trihydroxybenzene (2/3)","Acta Crystallographica Section B","1997","53","3","521","533","10.1107/S0108768196014048","","","0.7107","MolybdenumKα","","0.054","0.0323","","0.0863","0.0819","","","","1.1","1.234","1.234","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101837","14.779","0.002","10.2558","0.0015","5.9817","0.0008","90","","90","","90","","906.6","0.2","294","1","294","1","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C18 H22 N4 O4 S -","- C18 H22 N4 O4 S -","- C36 H44 N8 O8 S2 -","2","0.5","AB0361","Ferguson, George","Crystal Engineering Using Bisphenols and Trisphenols. Complexes with Hexamethylenetetramine (HMTA): Strings, Multiple Helices and Chains-of-Rings in the Crystal Structures of the Adducts of HTMA with 4,4'-Thiodiphenol (1/1), 4,4'-Sulfonyldiphenol (1/1), 4,4'-Isopropylidenediphenol (1/1), 1,1,1-Tris(4-hydroxyphenyl)ethane (1/2) and 1,3,5-Trihydroxybenzene (2/3)","Acta Crystallographica Section B","1997","53","3","521","533","10.1107/S0108768196014048","","","0.7107","MolybdenumKα","","0.0682","0.0421","","0.0947","0.0885","","","","1.034","1.156","1.156","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101838","25.093","0.006","7.1742","0.0013","23.612","0.007","90","","110.42","0.02","90","","3983.6","1.8","294","1","294","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H28 N4 O2 -","- C21 H28 N4 O2 -","- C168 H224 N32 O16 -","8","1","AB0361","Ferguson, George","Crystal Engineering Using Bisphenols and Trisphenols. Complexes with Hexamethylenetetramine (HMTA): Strings, Multiple Helices and Chains-of-Rings in the Crystal Structures of the Adducts of HTMA with 4,4'-Thiodiphenol (1/1), 4,4'-Sulfonyldiphenol (1/1), 4,4'-Isopropylidenediphenol (1/1), 1,1,1-Tris(4-hydroxyphenyl)ethane (1/2) and 1,3,5-Trihydroxybenzene (2/3)","Acta Crystallographica Section B","1997","53","3","521","533","10.1107/S0108768196014048","","","0.7107","MolybdenumKα","","0.1461","0.0401","","0.1027","0.085","","","","0.913","1.203","1.203","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101839","6.9928","0.001","14.0949","0.0015","30.999","0.004","90","","90","","90","","3055.3","0.7","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 N8 O3 -","- C32 H42 N8 O3 -","- C128 H168 N32 O12 -","4","1","AB0361","Ferguson, George","Crystal Engineering Using Bisphenols and Trisphenols. Complexes with Hexamethylenetetramine (HMTA): Strings, Multiple Helices and Chains-of-Rings in the Crystal Structures of the Adducts of HTMA with 4,4'-Thiodiphenol (1/1), 4,4'-Sulfonyldiphenol (1/1), 4,4'-Isopropylidenediphenol (1/1), 1,1,1-Tris(4-hydroxyphenyl)ethane (1/2) and 1,3,5-Trihydroxybenzene (2/3)","Acta Crystallographica Section B","1997","53","3","521","533","10.1107/S0108768196014048","","","0.7107","MolybdenumKα","","0.149","0.0636","","0.1022","0.0841","","","","0.938","1.248","1.248","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101840","23.598","0.002","7.136","0.002","19.445","0.003","90","","96.822","0.011","90","","3251.3","1.1","294","1","294","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C120 H192 N48 O24 -","8","1","AB0361","Ferguson, George","Crystal Engineering Using Bisphenols and Trisphenols. Complexes with Hexamethylenetetramine (HMTA): Strings, Multiple Helices and Chains-of-Rings in the Crystal Structures of the Adducts of HTMA with 4,4'-Thiodiphenol (1/1), 4,4'-Sulfonyldiphenol (1/1), 4,4'-Isopropylidenediphenol (1/1), 1,1,1-Tris(4-hydroxyphenyl)ethane (1/2) and 1,3,5-Trihydroxybenzene (2/3)","Acta Crystallographica Section B","1997","53","3","521","533","10.1107/S0108768196014048","","","0.7107","MolybdenumKα","","0.1774","0.0628","","0.1392","0.1138","","","","0.923","1.198","1.198","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101841","7.9781","0.001","18.558","0.003","11.1995","0.0013","90","","101.668","0.009","90","","1623.9","0.4","294","1","294","1","","","","","","","","3","I 1 a 1","I -2ya","9","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","AB0362","Ferguson, George","Crystal Engineering Using Trisphenols. Three-Dimensional Hydrogen-Bonding Networks in 1,1,1-Tris(4-hydroxyphenyl)ethane, its Hydrated Adduct with 1,4-Diazabicyclo[2.2.2]octane (1/1/1) and its Adduct with Piperazine (4/3)","Acta Crystallographica Section B","1997","53","3","534","543","10.1107/S010876819601405X","","","0.7107","MolybdenumKα","","0.0951","0.0447","","0.0917","0.08","","","","0.968","1.136","1.136","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101842","10.421","0.002","10.734","0.002","10.9756","0.0013","76.645","0.012","74.513","0.011","89.305","0.013","1149.5","0.3","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N2 O4 -","- C26 H32 N2 O4 -","- C52 H64 N4 O8 -","2","1","AB0362","Ferguson, George","Crystal Engineering Using Trisphenols. Three-Dimensional Hydrogen-Bonding Networks in 1,1,1-Tris(4-hydroxyphenyl)ethane, its Hydrated Adduct with 1,4-Diazabicyclo[2.2.2]octane (1/1/1) and its Adduct with Piperazine (4/3)","Acta Crystallographica Section B","1997","53","3","534","543","10.1107/S010876819601405X","","","0.7107","MolybdenumKα","","0.1592","0.0629","","0.1618","0.1378","","","","0.932","1.24","1.24","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2101843","12.5049","0.0011","12.7046","0.001","14.6226","0.0009","113.738","0.006","100.839","0.006","102.438","0.007","1976.1","0.3","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","","","- C92 H102 N6 O12 -","- C92 H102 N6 O12 -","- C92 H102 N6 O12 -","1","0.5","AB0362","Ferguson, George","Crystal Engineering Using Trisphenols. Three-Dimensional Hydrogen-Bonding Networks in 1,1,1-Tris(4-hydroxyphenyl)ethane, its Hydrated Adduct with 1,4-Diazabicyclo[2.2.2]octane (1/1/1) and its Adduct with Piperazine (4/3)","Acta Crystallographica Section B","1997","53","3","534","543","10.1107/S010876819601405X","","","0.7107","MolybdenumKα","","0.2061","0.0542","","0.1311","0.1038","","","","0.866","1.235","1.235","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101844","21.9114","0.0004","7.6003","0.0005","5.5247","0.0005","90","","90","","90","","920.05","0.1","293","2","293","2","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Mn8 Sn5 -","- Mn8 Sn5 -","- Mn32 Sn20 -","4","0.5","AB0366","Ponten, Margareta Elding; Stenberg, Lars; Lidin, Sven; Madariaga, Gotzon; Perez-Mato, Juan-Manuel","Structure of Mn~8~Sn~5~","Acta Crystallographica Section B","1997","53","3","364","372","10.1107/S0108768197000682","","","0.70926","MoKα","","0.046","0.046","","0.121","0.121","","","","1.63","1.63","1.63","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101845","5.148","0.003","5.148","0.003","13.863","0.003","90","0.01","90","0.01","120","0.013","318.2","0.3","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","lithium_niobate","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","AS0700","Hsu, R.; Maslen, E. N.; du Boulay, D.; Ishizawa, N.","Synchrotron X-ray Studies of LiNbO~3~ and LiTaO~3~","Acta Crystallographica Section B","1997","53","3","420","428","10.1107/S010876819600777X","","","0.7","xray_wiggler","","0.015","0.015","","0.015","0.015","","","","3.276","3.276","3.276","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"2101846","5.154","0.003","5.154","0.003","13.783","0.003","90","0.01","90","0.01","120","0.013","317.1","0.3","293","","293","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","lithium_tantalate","","- Li O3 Ta -","- Li O3 Ta -","- Li6 O18 Ta6 -","6","0.333333","AS0700","Hsu, R.; Maslen, E. N.; du Boulay, D.; Ishizawa, N.","Synchrotron X-ray Studies of LiNbO~3~ and LiTaO~3~","Acta Crystallographica Section B","1997","53","3","420","428","10.1107/S010876819600777X","","","0.7","xray_wiggler","","0.016","0.016","","0.022","0.022","","","","1.372","1.372","1.372","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101847","11.892","0.002","8.131","0.001","13.038","0.002","90","","115.79","0.01","90","","1135.1","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Biguanidinium bis-dinitramide","","","- C2 H9 N11 O8 -","- C2 H9 N11 O8 -","- C8 H36 N44 O32 -","4","0.5","BK0035","Pinkerton, A. Alan","Energetic Materials: The Preparation and Structural Characterization of Three Biguanidinium Dinitramides","Acta Crystallographica Section B","1997","53","3","504","512","10.1107/S0108768196013183","","","1.54178","CuKα","","0.0542","0.0533","","0.1379","0.136","","","","1.128","1.137","1.137","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101848","4.3686","0.0004","9.404","0.002","10.742","0.001","83.54","0.01","80.386","0.009","79.93","0.01","426.82","0.11","294","1","294","","","","","","","","","4","P -1","-P 1","2","","","","- C2 H8 N8 O4 -","- C2 H8 N8 O4 -","- C4 H16 N16 O8 -","2","1","BK0035","Pinkerton, A. Alan","Energetic Materials: The Preparation and Structural Characterization of Three Biguanidinium Dinitramides","Acta Crystallographica Section B","1997","53","3","504","512","10.1107/S0108768196013183","","","0.71073","MoKα","","0.068","0.041","","","0.038","","","","","2.231","2.231","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101849","6.4201","0.0006","13.408","0.001","14.584","0.002","90","0.009","90","0.01","90","0.008","1255.4","0.2","294","1","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C2 H11 N11 O9 -","- C2 H11 N11 O9 -","- C8 H44 N44 O36 -","4","1","BK0035","Pinkerton, A. Alan","Energetic Materials: The Preparation and Structural Characterization of Three Biguanidinium Dinitramides","Acta Crystallographica Section B","1997","53","3","504","512","10.1107/S0108768196013183","","","0.71073","MoKα","","0.087","0.04","","","0.032","","","","","2.565","2.565","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101850","54.06","0.01","11.468","0.001","7.4387","0.0008","90","","90","","90","","4611.7","1.1","294","","","","","","","","","","","4","C 1 1 21/d","","","","","","- C12 H10 Pb S2 -","","","16","","BR0034","Rae, A. D.; Craig, D. C.; Dance, I. G.; Scudder, M. L.; Dean, P. A. W.; Kmetic, M. A.; Payne, N. C.; Vittal, J. J.","The Pseudo-Symmetric Structure of Pb(SPh)~2~","Acta Crystallographica Section B","1997","53","3","457","465","10.1107/S0108768196015819","","","0.71073","MoKα","","","0.057","","","0.078","","","","","2.56","2.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101851","4.40656","0.00005","4.40656","0.00005","2.86186","0.00003","90","","90","","90","","55.5709","0.0011","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","","","","","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.125","BR0044","Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J.","Structural Studies of Rutile-Type Metal Dioxides","Acta Crystallographica Section B","1997","53","3","373","380","10.1107/S0108768197001468","","neutron","1.372","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101853","4.73735","0.00009","4.73735","0.00009","3.1864","0.00007","90","","90","","90","","71.511","0.002","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","","","","","- O2 Sn -","- O2 Sn -","- O4 Sn2 -","2","0.125","BR0044","Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J.","Structural Studies of Rutile-Type Metal Dioxides","Acta Crystallographica Section B","1997","53","3","373","380","10.1107/S0108768197001468","","neutron","1.377","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101854","4.5051","0.0003","4.5051","0.0003","3.1586","0.0002","90","","90","","90","","64.107","0.007","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","","","","","- Ir O2 -","- Ir O2 -","- Ir2 O4 -","2","0.125","BR0044","Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J.","Structural Studies of Rutile-Type Metal Dioxides","Acta Crystallographica Section B","1997","53","3","373","380","10.1107/S0108768197001468","","neutron","1.372","neutron","","","","","","","","","","","","","","","","","has coordinates","287549","2023-11-11","17:11:55",""
"2101855","7.454","0.001","7.454","0.001","12.885","0.002","90","","90","","90","","716","","293","2","293","2","","","","","","","","4","P 43 21 2","P 41n 2abw","","magnesium hydroxide sulfate","magnesium hydroxide sulfate","","- H2 Mg3 O10 S2 -","- H2 Mg3 O10 S2 -","- H8 Mg12 O40 S8 -","4","0.5","BR0053","Fleet, Michael E.; Knipe, Stephen W.","Structure of Magnesium Hydroxide Sulfate [2MgSO~4~.Mg(OH)~2~], and Solid Solution in Magnesium Hydroxide Sulfate Hydrate and Caminite","Acta Crystallographica, Section B","1997","53","3","358","363","10.1107/S0108768197000104","","","0.70926","MoKα","","0.1352","0.0245","","0.0227","0.0227","","","","1.16","1.1604","1.1604","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101856","10.338","0.002","8.687","0.002","10.756","0.002","90","","95.05","0.01","90","","962.2","0.3","290","","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","HR0034","Boldyreva, E.; Kivikoski, J.; Howard, J. A. K.","Distortion of Crystal Structures of Some Co^III^ Ammine Complexes. II. Distortion of Crystal Structures of [Co(NH~3~)~5~NO~2~]<i>X</i>~2~ (<i>X</i> = Cl, Br) on Cooling","Acta Crystallographica Section B","1997","53","3","405","414","10.1107/S0108768196014863","","","0.71073","MoKα","","0.0208","0.0175","","0.0479","0.0464","","","","0.984","0.994","0.994","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101857","10.215","0.003","8.697","0.004","10.748","0.003","90","","95.41","0.02","90","","950.6","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","HR0034","Boldyreva, E.; Kivikoski, J.; Howard, J. A. K.","Distortion of Crystal Structures of Some Co^III^ Ammine Complexes. II. Distortion of Crystal Structures of [Co(NH~3~)~5~NO~2~]<i>X</i>~2~ (<i>X</i> = Cl, Br) on Cooling","Acta Crystallographica Section B","1997","53","3","405","414","10.1107/S0108768196014863","","","0.71073","MoKα","","0.0174","0.0152","","0.0379","0.0372","","","","1.106","1.124","1.124","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101858","10.68","0.003","8.838","0.004","10.99","0.003","90","","94.7","0.02","90","","1033.9","0.6","290","","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) bromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","HR0034","Boldyreva, E.; Kivikoski, J.; Howard, J. A. K.","Distortion of Crystal Structures of Some Co^III^ Ammine Complexes. II. Distortion of Crystal Structures of [Co(NH~3~)~5~NO~2~]<i>X</i>~2~ (<i>X</i> = Cl, Br) on Cooling","Acta Crystallographica Section B","1997","53","3","405","414","10.1107/S0108768196014863","","","0.71073","MoKα","","0.0395","0.0214","","0.0522","0.049","","","","1.036","1.104","1.104","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101859","10.575","0.002","8.815","0.005","10.97","0.002","90","","94.97","0.02","90","","1018.8","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) bromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","HR0034","Boldyreva, E.; Kivikoski, J.; Howard, J. A. K.","Distortion of Crystal Structures of Some Co^III^ Ammine Complexes. II. Distortion of Crystal Structures of [Co(NH~3~)~5~NO~2~]<i>X</i>~2~ (<i>X</i> = Cl, Br) on Cooling","Acta Crystallographica Section B","1997","53","3","405","414","10.1107/S0108768196014863","","","0.71073","MoKα","","0.0294","0.0188","","0.0485","0.0465","","","","1.1","1.156","1.156","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101860","5.7444","0.0003","17.314","0.0008","4.6903","0.0004","90","","106.77","0.01","90","","446.65","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","D-galactonic acid hydrazide","","- C6 H14 N2 O6 -","- C6 H14 N2 O6 -","- C12 H28 N4 O12 -","2","1","KA0031","André, C.; Luger, P.; Fuhrhop, J.-H.; Hahn, F.","Hydrogen-Bonding Schemes of Galactonic Acid Hydrazide and its Hemihydrate","Acta Crystallographica Section B","1997","53","3","490","497","10.1107/S0108768196012906","","","1.5418","CuKα","","0.0225","0.0214","","0.0596","0.0558","","","","1.118","1.092","1.092","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101861","4.78","0.001","13.603","0.002","14.822","0.003","90","","98.83","0.01","90","","952.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-galactonic acid hydrazide hemihydrate","","- C12 H30 N4 O13 -","- C12 H30 N4 O13 -","- C24 H60 N8 O26 -","2","1","KA0031","André, C.; Luger, P.; Fuhrhop, J.-H.; Hahn, F.","Hydrogen-Bonding Schemes of Galactonic Acid Hydrazide and its Hemihydrate","Acta Crystallographica Section B","1997","53","3","490","497","10.1107/S0108768196012906","","","0.71069","MoKα","","0.0736","0.0441","","0.0981","0.0802","","","","1.123","1.075","1.075","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101862","7.409","0.001","17.549","0.003","6.332","0.001","90","","90","","90","","823.3","0.2","","","","","","","","","","","","4","P n a b","-P 2bc 2n","60","","","","- C5 H8 N4 O5 -","- C5 H8 N4 O5 -","- C20 H32 N16 O20 -","4","0.5","NA0077","Artioli, G.; Masciocchi, N.; Galli, E.","The Elusive Crystal Structure of Uric Acid Dihydrate: Implication for Epitaxial Growth During Biomineralization","Acta Crystallographica Section B","1997","53","3","498","503","10.1107/S0108768196013067","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101863","10.214","0.003","18.208","0.007","9.985","0.002","96.44","0.03","107.92","0.02","81.79","0.03","1744.2","0.9","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Cl2 Co N8 -","- C38 H30 Cl2 Co N8 -","- C76 H60 Cl4 Co2 N16 -","2","1","OA0004","Kawamura, Y.; Yamauchi, J.; Azuma, N.","Molecular and Crystal Structure of the Complex Composed of 2,3,5-Triphenyltetrazolium Cation and Dichloro-(1,3,5-triphenylformazanato)cobaltate(II) Anion","Acta Crystallographica Section B","1997","53","3","451","456","10.1107/S0108768196015960","","","0.71069","MoKα","","","0.041","","","0.04","","","","","1.4","1.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101864","10.3293","0.0006","10.3293","0.0006","10.3293","0.0006","90","","90","","90","","1102.08","0.11","295","","","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Cu12 S13 Sb4 -","- Cu12 S13 Sb4 -","- Cu24 S26 Sb8 -","2","0.0416667","SE0205","Pfitzner, A.; Evain, M.; Petricek, V.","Cu~12~Sb~4~S~13~: A Temperature-Dependent Structure Investigation","Acta Crystallographica Section B","1997","53","3","337","345","10.1107/S0108768196014024","","","0.56087","AgK-L~2,3~","","","0.0165","","","0.02","","","","","1.11","1.11","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101865","10.3678","0.0007","10.3678","0.0007","10.3678","0.0007","90","","90","","90","","1114.45","0.13","573","","","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Cu12 S13 Sb4 -","- Cu12 S13 Sb4 -","- Cu24 S26 Sb8 -","2","0.0416667","SE0205","Pfitzner, A.; Evain, M.; Petricek, V.","Cu~12~Sb~4~S~13~: A Temperature-Dependent Structure Investigation","Acta Crystallographica Section B","1997","53","3","337","345","10.1107/S0108768196014024","","","0.56087","AgK-L~2,3~","","","0.0248","","","0.0292","","","","","1.47","1.47","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101866","5.59","0.0006","5.59","0.0006","22.656","0.003","90","","90","","120","","613.11","0.12","30","","298","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Al11 Li0.75 Na0.47 O17.11 -","- Al17 Li5 Na6 O22 -","- Al34 Li10 Na12 O44 -","2","0.0833333","AB0365","Edström, Kristina; Gustafsson Torbjörn; Thomas, John, O.","Li^+^/Na^+^ β-Alumina: A Combined Single-Crystal Neutron and X-ray Diffraction Study","Acta Crystallographica Section B","1997","53","4","631","638","10.1107/S0108768197006629","","","0.71073","MoKα","","0","0.0363","","0","0.0801","","","","","2.25","2.25","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101867","5.5929","0.0006","5.5929","0.0006","22.652","0.003","90","","90","","120","","613.64","0.12","298","","298","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Al11 Li0.75 Na0.47 O17.11 -","- Al17 Li7 Na6 O22 -","- Al34 Li14 Na12 O44 -","2","0.0833333","AB0365","Edström, Kristina; Gustafsson Torbjörn; Thomas, John, O.","Li^+^/Na^+^ β-Alumina: A Combined Single-Crystal Neutron and X-ray Diffraction Study","Acta Crystallographica Section B","1997","53","4","631","638","10.1107/S0108768197006629","","","0.71073","MoKα","","0","0.0333","","0","0.079","","","","","2.06","2.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101868","2.878","0.007","2.878","0.007","14.9119","0.0004","90","","90","","120","","107","0.4","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","","","","","- Li2 Mo O3 -","- Li1.99995 Mo1.00005 O3 -","- Li3.9999 Mo2.0001 O6 -","2","0.0555556","AB0367","Hibble, S. J.; Fawcett, I. D.; Hannon, A. C.","Structure of Two Disordered Molybdates, Li~2~Mo^IV^O~3~ and Li~4~Mo~3~^IV^O~8~, from Total Neutron Scattering","Acta Crystallographica Section B","1997","53","4","604","612","10.1107/S0108768197003844","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101869","2.8688","0.0005","2.8688","0.0005","15.3843","0.0004","90","","90","","120","","109.65","0.03","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","","","","","- Li4 Mo3 O8 -","- Li3 Mo2.25 O6 -","- Li3 Mo2.25 O6 -","","","AB0367","Hibble, S. J.; Fawcett, I. D.; Hannon, A. C.","Structure of Two Disordered Molybdates, Li~2~Mo^IV^O~3~ and Li~4~Mo~3~^IV^O~8~, from Total Neutron Scattering","Acta Crystallographica Section B","1997","53","4","604","612","10.1107/S0108768197003844","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101870","5.738","","5.738","","30.768","","90","","90","","120","","877.306","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","","","","","- Li4 Mo3 O8 -","- Li3.3333 Mo3 O8 -","- Li19.9998 Mo18 O48 -","6","0.166667","AB0367","Hibble, S. J.; Fawcett, I. D.; Hannon, A. C.","Structure of Two Disordered Molybdates, Li~2~Mo^IV^O~3~ and Li~4~Mo~3~^IV^O~8~, from Total Neutron Scattering","Acta Crystallographica Section B","1997","53","4","604","612","10.1107/S0108768197003844","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101871","5.755","","5.755","","29.824","","90","","90","","120","","855.435","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","","","","","- Li2 Mo O3 -","- Li1.99995 Mo1.00001 O3 -","- Li31.9992 Mo16.0002 O48 -","16","0.444444","AB0367","Hibble, S. J.; Fawcett, I. D.; Hannon, A. C.","Structure of Two Disordered Molybdates, Li~2~Mo^IV^O~3~ and Li~4~Mo~3~^IV^O~8~, from Total Neutron Scattering","Acta Crystallographica Section B","1997","53","4","604","612","10.1107/S0108768197003844","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101872","21.4","0.002","6.2777","0.0006","17.853","0.002","90","","109.304","0.008","90","","2263.6","0.4","122","1","122","1","","","","","","","","4","C 1 2 1","C 2y","5","","cinchonidinium (S)-mandelate","","- C27 H30 N2 O4 -","- C27 H30 N2 O4 -","- C108 H120 N8 O16 -","4","1","AB0369","Gjerløv, A.; Larsen, S.","A Study of Diastereomeric Mandelate Salts of Cinchonidine and the Relation to Their Quasidiastereomeric Analogues","Acta Crystallographica Section B","1997","53","4","708","718","10.1107/S0108768197003480","","","1.54184","CuKα","","0.0261","0.0259","","0.0723","0.0721","","","","0.944","0.946","0.946","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101873","6.41","0.003","32.808","0.011","11.222","0.002","90","","100.67","0.02","90","","2319.2","1.4","122","1","122","1","","","","","","","","4","P 1 21 1","P 2yb","4","","cinchonidinium (R)-mandelate","","- C27 H30 N2 O4 -","- C27 H30 N2 O4 -","- C108 H120 N8 O16 -","4","2","AB0369","Gjerløv, A.; Larsen, S.","A Study of Diastereomeric Mandelate Salts of Cinchonidine and the Relation to Their Quasidiastereomeric Analogues","Acta Crystallographica Section B","1997","53","4","708","718","10.1107/S0108768197003480","","","1.54184","CuKα","","0.0389","0.038","","0.1007","0.0991","","","","1.029","1.027","1.027","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101874","7.715","0.002","11.136","0.002","11.707","0.002","90","","105.63","0.03","90","","968.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,3,5,5-tetramethylglutarimide","3,3,5,5-tetramethylazacyclohexane-2,6-dione","","- C9 H15 N O2 -","- C9 H15 N O2 -","- C36 H60 N4 O8 -","4","1","AB0372","Maurin, Jan K.; Czarnocki, Zbigniew; Paluchowska, Beata; Winnicka-Maurin, Małgorzata","Conformation-Related Reaction Efficiency of Glutarimides with Phenyllithium. Structures of 3,3,5,5-Tetramethylglutarimide and 2-Hydroxy-2-phenyl-3,3,5,5-tetramethyl-6-piperidone. X-ray and Theoretical Study","Acta Crystallographica Section B","1997","53","4","719","725","10.1107/S0108768197004874","","","1.54178","CuKα","","0.09","0.0549","","0.2158","0.1855","","","","1.115","1.272","1.272","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2101875","6.1685","0.0006","11.1475","0.001","11.526","0.002","117.1","0.01","103.39","0.01","91.288","0.007","678.84","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-hydroxy-2-phenyl-3,3,5,5-tetramethyl-6-piperidone","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C30 H42 N2 O4 -","2","1","AB0372","Maurin, Jan K.; Czarnocki, Zbigniew; Paluchowska, Beata; Winnicka-Maurin, Małgorzata","Conformation-Related Reaction Efficiency of Glutarimides with Phenyllithium. Structures of 3,3,5,5-Tetramethylglutarimide and 2-Hydroxy-2-phenyl-3,3,5,5-tetramethyl-6-piperidone. X-ray and Theoretical Study","Acta Crystallographica Section B","1997","53","4","719","725","10.1107/S0108768197004874","","","1.54178","CuKα","","0.0547","0.041","","0.125","0.1154","","","","1.005","1.057","1.057","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101876","8.09","0.0008","3.8472","0.0004","14.883","0.002","90","","91.73","0.01","90","","463.01","0.09","294","1","294","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Pentachlorotolune","","- C7 H3 Cl5 -","- C7 Cl5 -","- C14 Cl10 -","2","0.5","CR0519","Brock, C. P.; Fu, Y.","Pentachlorotoluene: Rotational and Compositional Disorder","Acta Crystallographica Section B","1997","53","4","613","619","10.1107/S0108768197004102","","","0.71073","MoKα","","0.1512","0.052","","0.1611","0.1454","","","","1.175","1.404","1.404","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101877","8.102","0.002","3.857","0.001","14.913","0.003","90","","91.78","0.03","90","","465.8","0.19","294","1","294","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Pentachlorotoluene","","- C7 H3 Cl5 -","- C7 Cl5 -","- C14 Cl10 -","2","0.5","CR0519","Brock, C. P.; Fu, Y.","Pentachlorotoluene: Rotational and Compositional Disorder","Acta Crystallographica Section B","1997","53","4","613","619","10.1107/S0108768197004102","","","0.71073","MoKα","","0.0757","0.0387","","0.1268","0.1158","","","","1.127","1.208","1.208","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101878","7.7959","0.0004","7.7959","0.0004","5.3033","0.0003","90","","90","","120","","279.13","0.03","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","Zinc perchlorate hexahydrate","","- Cl2 H12 O14 Zn -","- Cl2 H12 O14 Zn -","- Cl2 H12 O14 Zn -","1","0.0833333","LI0238","Soma Ghosh; Monika Mukherjee; Alpana Seal; Siddhartha Ray","X-ray Study of <i>M</i>^II^(ClO~4~)~2~.6H~2~O (<i>M</i>^II^ = Zn, Ni): Twinning, Disorder and Phase Transitions","Acta Crystallographica Section B","1997","53","4","639","644","10.1107/S010876819700195X","","","0.71073","MoKα","","0.0383","0.038","","0.1071","0.1065","","","","1.211","1.212","1.212","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101879","6.8576","0.0003","6.8831","0.0005","19.988","0.002","90","","90","","90","","943.5","0.1","","","218","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","NA0078","Sañé, J.; Ruis, J.; Calvet, T.; Cuevas-Diarte, M. A.","Chiral Molecular Alloys: Patterson-Search Structure Determination of <small>L</small>-Carvone and <small>DL</small>-Carvone from X-ray Powder Diffraction Data at 218 K","Acta Crystallographica Section B","1997","53","4","702","707","10.1107/S0108768197002905","","","1.54051","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","208463","2020-10-21","18:00:00",""
"2101880","6.9744","0.0003","6.8094","0.0006","20.038","0.007","90","","90","","90","","951.6","0.3","","","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","","","- C10 H14 O -","- C10 O -","- C40 O4 -","4","0.5","NA0078","Sañé, J.; Ruis, J.; Calvet, T.; Cuevas-Diarte, M. A.","Chiral Molecular Alloys: Patterson-Search Structure Determination of <small>L</small>-Carvone and <small>DL</small>-Carvone from X-ray Powder Diffraction Data at 218 K","Acta Crystallographica Section B","1997","53","4","702","707","10.1107/S0108768197002905","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","206176","2020-10-21","18:00:00",""
"2101881","10.014","0.005","10.383","0.007","18.845","0.007","90","","92.99","0.04","90","","1956.7","1.8","300","","299","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(μ-benzoylformato-O,O')-bis(pyridine) dicopper(II)","","- C42 H30 Cu2 N2 O12 -","- C42 H30 Cu2 N2 O12 -","- C84 H60 Cu4 N4 O24 -","2","0.5","OA0006","Harada, A.; Tsuchimoto, M.; Ohba, S.; Iwasawa, K.; Tokii, T.","Structures and Magnetic Properties of Dimeric Copper(II) Benzoylformates","Acta Crystallographica Section B","1997","53","4","654","661","10.1107/S0108768197006435","","","0.71073","MoKα","","","0.0621","","","0.0581","","","","","1.48","1.48","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101882","9.641","0.002","19.695","0.002","10.976","0.002","90","","96.89","0.02","90","","2069.1","0.6","300","","299","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetrakis(μ-benzoylformato-O,O')-bis(2-picoline)dicopper(II)","","- C44 H34 Cu2 N2 O12 -","- C44 H34 Cu2 N2 O12 -","- C88 H68 Cu4 N4 O24 -","2","0.5","OA0006","Harada, A.; Tsuchimoto, M.; Ohba, S.; Iwasawa, K.; Tokii, T.","Structures and Magnetic Properties of Dimeric Copper(II) Benzoylformates","Acta Crystallographica Section B","1997","53","4","654","661","10.1107/S0108768197006435","","","0.71073","MoKα","","","0.0525","","","0.0461","","","","","1.3","1.3","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101883","21.267","0.004","10.568","0.003","21.45","0.003","90","","104.83","0.01","90","","4660.3","1.7","298","","299","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-benzoylformato-O,O')-bis(3-picoline)dicopper(II) monobenzene solvate","","- C50 H40 Cu2 N2 O12 -","- C50 H40 Cu2 N2 O12 -","- C200 H160 Cu8 N8 O48 -","4","1","OA0006","Harada, A.; Tsuchimoto, M.; Ohba, S.; Iwasawa, K.; Tokii, T.","Structures and Magnetic Properties of Dimeric Copper(II) Benzoylformates","Acta Crystallographica Section B","1997","53","4","654","661","10.1107/S0108768197006435","","","0.71073","MoKα","","","0.0491","","","0.0446","","","","","1.45","1.45","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101884","19.083","0.005","12.156","0.004","21.692","0.003","90","","124.26","0.02","90","","4159","2","298","","299","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetralis(μ-benzoylformato-O,O')-bis(4-picoline)dicopper(II)","","- C44 H34 Cu2 N2 O12 -","- C44 H34 Cu2 N2 O12 -","- C176 H136 Cu8 N8 O48 -","4","0.5","OA0006","Harada, A.; Tsuchimoto, M.; Ohba, S.; Iwasawa, K.; Tokii, T.","Structures and Magnetic Properties of Dimeric Copper(II) Benzoylformates","Acta Crystallographica Section B","1997","53","4","654","661","10.1107/S0108768197006435","","","0.71073","MoKα","","","0.0695","","","0.0528","","","","","1.6","1.6","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101885","14.332","0.001","10.855","0.001","17.719","0.001","90","","91","0.01","90","","2756.2","0.4","300","","299","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(2,3-dimethylpyridinium) tetrakis(μ-benzoylformato-O,O')-bis(chloride) dicopper(II) dibenzene solvate","","- C58 H52 Cl2 Cu2 N2 O12 -","- C58 H52 Cl2 Cu2 N2 O12 -","- C116 H104 Cl4 Cu4 N4 O24 -","2","0.5","OA0006","Harada, A.; Tsuchimoto, M.; Ohba, S.; Iwasawa, K.; Tokii, T.","Structures and Magnetic Properties of Dimeric Copper(II) Benzoylformates","Acta Crystallographica Section B","1997","53","4","654","661","10.1107/S0108768197006435","","","0.71073","MoKα","","","0.0595","","","0.0476","","","","","1.31","1.31","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101886","12.707","0.004","13.139","0.003","9.488","0.003","93.92","0.03","97.81","0.03","72.45","0.02","1495.7","0.8","298","","299","","","","","","","","","5","P -1","-P 1","2","","Tetrakis(benzoylformato-O,O')-bis(caffeine)dicopper(II) dibenzene solvate","","- C60 H52 Cu2 N8 O16 -","- C60 H52 Cu2 N8 O16 -","- C60 H52 Cu2 N8 O16 -","1","0.5","OA0006","Harada, A.; Tsuchimoto, M.; Ohba, S.; Iwasawa, K.; Tokii, T.","Structures and Magnetic Properties of Dimeric Copper(II) Benzoylformates","Acta Crystallographica Section B","1997","53","4","654","661","10.1107/S0108768197006435","","","0.71073","MoKα","","","0.079","","","0.067","","","","","1.32","1.32","","","","","has coordinates","176768","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",""
"2101890","13.625","0.0013","6.3728","0.0012","13.8825","0.0013","90","","97.11","0.008","90","","1196.1","0.3","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-2,2'-dimethylazobenzene","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","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","","","1.54184","Cu_Kα","","0.0715","0.062","","0.1467","0.1386","","","","1.127","1.183","1.183","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101891","13.4663","0.0013","6.294","0.0014","13.6133","0.0012","90","","98.116","0.007","90","","1142.3","0.3","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-2,2'-dimethylazobenzene","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","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","","","1.54184","Cu_Kα","","0.0463","0.0386","","0.1428","0.105","","","","1.028","1.042","1.042","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101892","13.819","0.003","11.805","0.003","7.501","0.0012","90","","90","","90","","1223.6","0.4","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","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","","0.1578","0.0653","","0.2385","0.1908","","","","1.015","1.234","1.234","","","","","has coordinates,has disorder","277834","2022-09-14","16:39:44",""
"2101893","13.819","0.003","11.805","0.003","7.501","0.0012","90","","90","","90","","1223.6","0.4","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3,3'-dimethylazobenzene","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","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","","0.145","0.0516","","0.1614","0.1252","","","","0.997","1.2","1.2","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2101894","13.824","0.002","11.731","0.002","7.366","0.002","90","","90","","90","","1194.5","0.4","200","","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3,3'-dimethylazobenzene","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","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","","","1.54184","Cu_Kα","","0.0727","0.0645","","0.1572","0.1509","","","","1.22","1.28","1.28","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101895","11.652","0.002","13.82","0.002","7.241","0.002","90","","90","","90","","1166","0.4","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(E)-3,3'-dimethylazobenzene","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 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","","0.1072","0.0464","","0.1377","0.1148","","","","1.021","1.083","1.083","","","","","has coordinates,has Fobs","201972","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",""
"2101898","7.913","0.001","7.837","0.002","11.798","0.003","90","","90","","90","","731.6","0.3","18","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H6 Ag Cl O4 -","- C6 H6 Ag Cl O4 -","- C24 H24 Ag4 Cl4 O16 -","4","0.25","PT0004","McMullan, R. K.; Koetzle, T. F.; Fritchie, Jnr, C. J.","Low-Temperature Neutron Diffraction Study of the Silver Perchlorate‒Benzene π Complex","Acta Crystallographica Section B","1997","53","4","645","653","10.1107/S0108768197000712","","neutron","1.046","neutron","","","0.032","","","0.037","","","","","1.182","1.182","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101899","7.973","0.001","7.857","0.001","11.777","0.002","90","","90","","90","","737.76","0.18","78","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H6 Ag Cl O4 -","- C6 H6 Ag Cl O4 -","- C24 H24 Ag4 Cl4 O16 -","4","0.25","PT0004","McMullan, R. K.; Koetzle, T. F.; Fritchie, Jnr, C. J.","Low-Temperature Neutron Diffraction Study of the Silver Perchlorate‒Benzene π Complex","Acta Crystallographica Section B","1997","53","4","645","653","10.1107/S0108768197000712","","neutron","1.046","neutron","","","0.032","","","0.035","","","","","1.084","1.084","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101900","8.1","0.001","7.902","0.001","11.739","0.002","90","","90","","90","","751.37","0.18","158","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H6 Ag Cl O4 -","- C6 H6 Ag Cl O4 -","- C24 H24 Ag4 Cl4 O16 -","4","0.25","PT0004","McMullan, R. K.; Koetzle, T. F.; Fritchie, Jnr, C. J.","Low-Temperature Neutron Diffraction Study of the Silver Perchlorate‒Benzene π Complex","Acta Crystallographica Section B","1997","53","4","645","653","10.1107/S0108768197000712","","neutron","1.046","neutron","","","0.047","","","0.045","","","","","1.103","1.103","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101901","10.4455","0.0014","6.0307","0.0008","15.24","0.004","90","","90","0.02","90","","960","0.3","290","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- K3 Mo2 Na O8 -","- K3 Mo2 Na O8 -","- K12 Mo8 Na4 O32 -","4","0.5","SH0083","Fábry, J.; Petrícek, V.; Vanek, P.; Císarová, I.","Phase Transition in K~3~Na(MoO~4~)~2~ and Determination of the Twinned Structures of K~3~Na(MoO~4~)~2~ and K~2.5~Na~1.5~(MoO~4~)~2~ at Room Temperature","Acta Crystallographica Section B","1997","53","4","596","603","10.1107/S0108768197002164","","","0.71073","MoKα","","","0.0291","","","0.0362","","","","1.16","1.16","1.16","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101902","10.3849","0.0013","5.9957","0.0007","15.043","0.002","90","","90","0.02","90","","936.6","0.2","290","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- K2.5 Mo2 Na1.5 O8 -","- K2.5 Mo2 Na1.5 O8 -","- K10 Mo8 Na6 O32 -","4","0.5","SH0083","Fábry, J.; Petrícek, V.; Vanek, P.; Císarová, I.","Phase Transition in K~3~Na(MoO~4~)~2~ and Determination of the Twinned Structures of K~3~Na(MoO~4~)~2~ and K~2.5~Na~1.5~(MoO~4~)~2~ at Room Temperature","Acta Crystallographica Section B","1997","53","4","596","603","10.1107/S0108768197002164","","","0.71073","MoKα","","","0.0442","","","0.0611","","","","1.96","1.96","1.96","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101903","12.34","","12.41","","30.71","","90","","90","","90","","4702.91","","","","","","","","","","","","","3","I m m 2","I 2 -2","","","","","- Al12 Cr Fe2 -","- Al12.7576 Tm2.5 -","- Al255.152 Tm50 -","20","2.5","ZH0014","Sui, H. X.; Liao, X. Z.; Kuo, K. H.; Zou, X.; Hovmöller, S.","Structural Model of the Orthorhombic Non-Fibonacci Approximant in the Al~12~Fe~2~Cr Alloy","Acta Crystallographica Section B","1997","53","4","587","595","10.1107/S0108768197000220","","","","electron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101904","5.6938","0.0007","5.7913","0.0007","27.052","0.004","90","","90","","90","","892","0.2","122","0.5","122","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-(+)-3-hydroxy-3-(3'-chloro)phenylpropionic acid","","- C9 H9 Cl O3 -","- C9 H9 Cl O3 -","- C36 H36 Cl4 O12 -","4","1","AB0374","Sine Larsen; Katalin Marthi","Structural and Thermodynamic Relationships Between Optically Active and Racemic Compounds. The Crystal Structures of Optically Active Chloro- and Bromo-Substituted 3-Hydroxy-3-phenylpropionic Acids","Acta Crystallographica Section B","1997","53","5","803","811","10.1107/S0108768197007775","","","1.54184","CuKα","","0.0202","0.02","","0.0531","0.053","","","","1.066","1.07","1.07","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101905","5.802","0.0008","5.8638","0.0008","27.345","0.004","90","","90","","90","","930.3","0.2","122","0.5","122","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-(+)-3-hydroxy-3-(3'-bromo)phenylpropionic acid","","- C9 H9 Br O3 -","- C9 H9 Br O3 -","- C36 H36 Br4 O12 -","4","1","AB0374","Sine Larsen; Katalin Marthi","Structural and Thermodynamic Relationships Between Optically Active and Racemic Compounds. The Crystal Structures of Optically Active Chloro- and Bromo-Substituted 3-Hydroxy-3-phenylpropionic Acids","Acta Crystallographica Section B","1997","53","5","803","811","10.1107/S0108768197007775","","","1.54184","CuKα","","0.0342","0.0322","","0.0974","0.0854","","","","1.085","1.09","1.09","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101906","16.155","0.003","16.154","0.003","14.75","0.007","90","","90","","90","","3849","2","122","0.5","122","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Cl5 Cr2 H33 N10 O2 -","- Cl5 Cr2 H32.5 N10 O2 -","- Cl40 Cr16 H260 N80 O16 -","8","2","AB0375","Harris, P.; Birkedal, H.; Larsen, S.; Güdel, H. U.","A New Study of the Acid Rhodo Complex Salt [(NH~3~)~5~CrOHCr(NH~3~)~5~]Cl~5~.H~2~O Shows That the Crystals are Orthorhombic","Acta Crystallographica Section B","1997","53","5","795","802","10.1107/S0108768197007829","","","0.71073","MoKα","","0.0299","0.0281","","0.0779","0.0756","","","","1.071","1.052","1.052","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101907","11.262","0.002","12.867","0.003","12.51","0.003","90","","112.11","0.03","90","","1679.5","0.7","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N4 -","- C18 H24 N4 -","- C72 H96 N16 -","4","1","AN0521","Cole, J. C.; Cole, J. M.; Cross, G. H.; Farsari, M.; Howard, J. A. K.; Szablewski, M.","Structural Studies of a Series of Organic Non-Linear Optical Materials","Acta Crystallographica Section B","1997","53","5","812","821","10.1107/S010876819601525X","","","0.71073","MoKα","","0.0961","0.0374","","0.07","0.0607","","","","0.764","0.962","0.962","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101908","6.97","0.001","14.233","0.003","7.633","0.002","90","","107.91","0.03","90","","720.5","0.3","150","2","150","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C17 H16 N4 -","- C17 H16 N4 -","- C34 H32 N8 -","2","1","AN0521","Cole, J. C.; Cole, J. M.; Cross, G. H.; Farsari, M.; Howard, J. A. K.; Szablewski, M.","Structural Studies of a Series of Organic Non-Linear Optical Materials","Acta Crystallographica Section B","1997","53","5","812","821","10.1107/S010876819601525X","","","0.71073","MoKα","","0.0472","0.0352","","0.0991","0.0788","","","","1.037","1.034","1.034","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101909","6.837","0.001","25.08","0.005","7.386","0.001","90","","92.7","0.03","90","","1265.1","0.4","150","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N4 -","- C15 H12 N4 -","- C60 H48 N16 -","4","1","AN0521","Cole, J. C.; Cole, J. M.; Cross, G. H.; Farsari, M.; Howard, J. A. K.; Szablewski, M.","Structural Studies of a Series of Organic Non-Linear Optical Materials","Acta Crystallographica Section B","1997","53","5","812","821","10.1107/S010876819601525X","","","0.71073","MoKα","","0.3495","0.0586","","0.1943","0.1137","","","","0.92","1.205","1.205","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2101910","7.615","0.004","7.962","0.004","14.74","0.004","91.45","0.04","96.93","0.04","118.03","0.04","779.7","0.7","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H15 N5 -","- C18 H15 N5 -","- C36 H30 N10 -","2","1","AN0521","Cole, J. C.; Cole, J. M.; Cross, G. H.; Farsari, M.; Howard, J. A. K.; Szablewski, M.","Structural Studies of a Series of Organic Non-Linear Optical Materials","Acta Crystallographica Section B","1997","53","5","812","821","10.1107/S010876819601525X","","","0.71073","MoKα","","0.0706","0.0381","","0.1158","0.1009","","","","1.031","1.063","1.063","","","","","has coordinates","201972","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",""
"2101912","10.1737","0.0001","13.9127","0.0001","8.7336","0.0001","90","","107.037","0.001","90","","1181.94","0.02","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 O4 P -","- C11 H15 O4 P -","- C44 H60 O16 P4 -","4","1","BK1251","Blazis, Vincent J.; Koeller, Kevin J.; Rath, Nigam P.; Spilling, Christopher D.","Application of Wallach's Rule in a Comparison of the X-ray Crystal Structures of the Racemate and the (<i>S</i>) Enantiomer of (1-Hydroxy-3-phenyl-2-propenyl) Dimethylphosphonate","Acta Crystallographica Section B","1997","53","5","838","842","10.1107/S0108768197005703","","","0.71073","MoKα","","0.043","0.033","","0.097","0.089","","","","1.04","1.06","1.06","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101913","7.36","","8.344","0.0001","20.4292","0.0003","90","","90","","90","","1254.59","0.02","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O4 P -","- C11 H15 O4 P -","- C44 H60 O16 P4 -","4","1","BK1251","Blazis, Vincent J.; Koeller, Kevin J.; Rath, Nigam P.; Spilling, Christopher D.","Application of Wallach's Rule in a Comparison of the X-ray Crystal Structures of the Racemate and the (<i>S</i>) Enantiomer of (1-Hydroxy-3-phenyl-2-propenyl) Dimethylphosphonate","Acta Crystallographica Section B","1997","53","5","838","842","10.1107/S0108768197005703","","","0.71073","MoKα","","0.046","0.04","","0.107","0.103","","","","1.04","1.05","1.05","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101914","15.796","0.001","15.796","0.001","14.198","0.001","90","","90","","90","","3542.6","0.4","296","1","296","1","","","","","","","","4","I -4","I -4","82","","tetraphenylphosphonium tetraphenylborate","","- C48 H40 B P -","- C48 H40 B P -","- C192 H160 B4 P4 -","4","0.5","CR0521","Lloyd, M. A.; Brock, C. P.","[<i>M</i>Ph~4~][BPh~4~], <i>M</i> = P, As and Sb","Acta Crystallographica Section B","1997","53","5","773","779","10.1107/S0108768197005077","","","0.71073","MoKα","","0.0874","0.05","","0.172","0.1567","","","","1.21","1.214","1.214","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101915","15.936","0.004","15.936","0.004","14.062","0.002","90","","90","","90","","3571.1","1.4","296","1","296","1","","","","","","","","4","I -4","I -4","82","","tetraphenylarsonium tetraphenylborate","","- C48 H40 As B -","- C48 H40 As B -","- C192 H160 As4 B4 -","4","0.5","CR0521","Lloyd, M. A.; Brock, C. P.","[<i>M</i>Ph~4~][BPh~4~], <i>M</i> = P, As and Sb","Acta Crystallographica Section B","1997","53","5","773","779","10.1107/S0108768197005077","","","0.71073","MoKα","","0.0634","0.039","","0.112","0.1034","","","","1.12","1.16","1.16","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101916","16.272","0.003","16.272","0.003","13.703","0.003","90","","90","","90","","3628.3","1.2","295","1","295","1","","","","","","","","4","I -4","I -4","82","","tetraphenylstibonium tetraphenylborate","","- C48 H40 B Sb -","- C48 H40 B Sb -","- C192 H160 B4 Sb4 -","4","0.5","CR0521","Lloyd, M. A.; Brock, C. P.","[<i>M</i>Ph~4~][BPh~4~], <i>M</i> = P, As and Sb","Acta Crystallographica Section B","1997","53","5","773","779","10.1107/S0108768197005077","","","0.71073","MoKα","","0.0361","0.028","","0.082","0.0774","","","","1.17","1.195","1.195","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101917","8.271","0.003","8.271","0.003","11.083","0.003","90","","90","","120","","656.6","0.4","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","1,10-dibromodecane/urea inclusion","","- C1.7 H5.54 Br0.14 N2 O -","- C3 H4 N2 O -","- C18 H24 N12 O6 -","6","0.5","HA0155","Yeo, L.; Harris, K. D. M.","Definitive Structural Characterization of the Conventional Low-Temperature Host Structure in Urea Inclusion Compounds","Acta Crystallographica Section B","1997","53","5","822","830","10.1107/S0108768197005417","","","0.71069","MoKα","","0.1153","0.1133","","0.2915","0.2903","","","","1.23","1.24","1.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101918","8.2201","0.0013","8.2201","0.0013","11.0342","0.0012","90","","90","","120","","645.69","0.16","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","1,12-dibromododecane/urea inclusion","","- C2.08 H6.16 Br0.18 N2 O -","- C3 H4 N2 O -","- C18 H24 N12 O6 -","6","0.5","HA0155","Yeo, L.; Harris, K. D. M.","Definitive Structural Characterization of the Conventional Low-Temperature Host Structure in Urea Inclusion Compounds","Acta Crystallographica Section B","1997","53","5","822","830","10.1107/S0108768197005417","","","0.71069","MoKα","","0.1121","0.1099","","0.3018","0.2987","","","","1.22","1.219","1.219","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101919","11.007","0.002","13.945","0.004","8.08","0.002","90","","90","","90","","1240.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,10-dibromodecane/urea inclusion","","- C1.7 H5.54 Br0.14 N2 O -","- C3.33333 H4 N2 O -","- C40 H48 N24 O12 -","12","3","HA0155","Yeo, L.; Harris, K. D. M.","Definitive Structural Characterization of the Conventional Low-Temperature Host Structure in Urea Inclusion Compounds","Acta Crystallographica Section B","1997","53","5","822","830","10.1107/S0108768197005417","","","0.71069","MoKα","","0.1534","0.1354","","0.3313","0.3162","","","","1.111","1.148","1.148","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101920","10.93","0.002","14.133","0.003","8.186","0.002","90","","90","","90","","1264.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2.08 H6.16 Br0.18 N2 O -","- C3.33333 H4 N2 O -","- C40 H48 N24 O12 -","12","3","HA0155","Yeo, L.; Harris, K. D. M.","Definitive Structural Characterization of the Conventional Low-Temperature Host Structure in Urea Inclusion Compounds","Acta Crystallographica Section B","1997","53","5","822","830","10.1107/S0108768197005417","","","0.71069","MoKα","","0.1337","0.1234","","0.3448","0.3348","","","","1.036","1.068","1.068","","","","","has coordinates","176435","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",""
"2101922","10.607","0.003","11.308","0.005","17.699","0.002","77.53","0.02","73.17","0.01","69.85","0.03","1891.6","1.1","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H34 N4 O Ru S -","- C47 H33 N4 O Ru S -","- C94 H66 N8 O2 Ru2 S2 -","2","1","MU0320","Bartczak, T. J.; Rachlewicz, K.; Latos-Grażynski, L.","Crystal and Molecular Structure of Thiocarbonyl-ethoxo(tetraphenylporphyrinato)ruthenium(II), [Ru(TPP)(CS)(HOC~2~H~5~)]. A Case of Centrosymmetric‒Noncentrosymmetric Ambiguity","Acta Crystallographica Section B","1997","53","5","767","772","10.1107/S0108768197003789","","","0.71073","MoKα","","0.184","0.0938","","0.1283","0.0984","","","","","2.28","2.28","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101923","5.689","0.001","7.6094","0.0009","5.335","0.0008","90","","90","","90","","230.95","0.06","293","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O3 Ti Y -","- O3 Ti Y -","- O12 Ti4 Y4 -","4","0.5","OA0005","Hester, J. R.; Tomimoto, K.; Noma, H.; Okamura, F. P.; Akimitsu, J.","Electron Density in YTiO~3~","Acta Crystallographica Section B","1997","53","5","739","744","10.1107/S010876819700551X","","","0.2106","WKα","","","0.0017","","","0.0013","","","","","2.27","2.27","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101924","5.6901","0.0004","7.613","0.0007","5.3381","0.0006","90","","90","","90","","231.24","0.04","293","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O3 Ti Y -","- O3 Ti Y -","- O12 Ti4 Y4 -","4","0.5","OA0005","Hester, J. R.; Tomimoto, K.; Noma, H.; Okamura, F. P.; Akimitsu, J.","Electron Density in YTiO~3~","Acta Crystallographica Section B","1997","53","5","739","744","10.1107/S010876819700551X","","","0.2106","WKα","","","0.0024","","","0.0017","","","","","1.64","1.64","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101925","5.69","0.004","7.583","0.006","5.318","0.005","90","","90","","90","","229.5","0.3","127","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O3 Ti Y -","- O3 Ti Y -","- O12 Ti4 Y4 -","4","0.5","OA0005","Hester, J. R.; Tomimoto, K.; Noma, H.; Okamura, F. P.; Akimitsu, J.","Electron Density in YTiO~3~","Acta Crystallographica Section B","1997","53","5","739","744","10.1107/S010876819700551X","","","0.2106","WKα","","","0.0021","","","0.0015","","","","","1.8","1.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101926","8.375","0.002","8.375","0.002","8.375","0.002","90","","90","","90","","587.4","0.2","","","","","","","","","","","","2","F d -3 m {origin @ -3 m}","-F 4vw 2vw 3","","","","","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","","OH0053","Sasaki, S.","Radial Distribution of Electron Density in Magnetite, Fe~3~O~4~","Acta Crystallographica Section B","1997","53","5","762","766","10.1107/S0108768197007842","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"2101927","16.57244","0.00011","4.82608","0.00003","5.48949","0.00003","90","","91.1727","0.0005","90","","438.957","0.005","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","antimony tantalum titanium oxide","","- O6 Sb Ta Ti -","- O6 Sb Ta Ti -","- O24 Sb4 Ta4 Ti4 -","4","0.5","AB0373","Ling, Christopher; Thompson, John G.; Schmid, Siegbert; Cookson, David; Withers, Ray L.","Structure Refinements of the Layered Intergrowth Phases Sb^III^Sb^V <i>x^</i><i>A</i>~1{-~<i>x</i>}TiO~6~ (<i>x</i>≃0, <i>A</i> = Ta, Nb) Using Synchrotron X-ray Powder Diffraction Data","Acta Crystallographica Section B","1997","53","6","861","869","10.1107/S0108768197007787","","","1.2618","synchrotron","","","","","","","","","","12.14","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101928","16.6009","0.0002","4.82702","0.00006","5.4933","0.00006","90","","91.1159","0.0009","90","","440.11","0.009","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","antimony niobium titanium oxide","","- Nb O6 Sb Ti -","- Nb O6 Sb Ti -","- Nb4 O24 Sb4 Ti4 -","4","0.5","AB0373","Ling, Christopher; Thompson, John G.; Schmid, Siegbert; Cookson, David; Withers, Ray L.","Structure Refinements of the Layered Intergrowth Phases Sb^III^Sb^V <i>x^</i><i>A</i>~1{-~<i>x</i>}TiO~6~ (<i>x</i>≃0, <i>A</i> = Ta, Nb) Using Synchrotron X-ray Powder Diffraction Data","Acta Crystallographica Section B","1997","53","6","861","869","10.1107/S0108768197007787","","","1.2618","synchrotron","","","","","","","","","","19.51","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101929","11.31","0.001","23.183","0.004","9.462","0.001","90","","90","","90","","2480.9","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H21 N5 O11 -","- C21 H21 N5 O11 -","- C84 H84 N20 O44 -","4","1","BM0007","Zaderenko, Paula; Gil, Ma. Soledad; López, Pilar; Ballesteros, Paloma; Fonseca, Isabel; Albert, Armando","Diethyl 2-Benzimidazol-1-ylsuccinate‒Picric Acid (1/1) ‒ An Inclusion Molecular Complex","Acta Crystallographica Section B","1997","53","6","961","967","10.1107/S0108768197008562","","","1.5418","CuKα","","0.1029","0.0785","","0.216","0.1889","","","","1.135","1.177","1.177","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101930","4.49307","0.00007","4.49307","0.00007","3.10639","0.00007","90","","90","","90","","62.711","0.002","298","","298","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","ruthenium dioxide","","- O2 Ru -","- O2 Ru -","- O4 Ru2 -","2","0.125","BR0060","Haines, J.; Léger, J. M.; Schulte, O.; Hull, S.","Neutron Diffraction Study of the Ambient-Pressure, Rutile-Type and the High-Pressure, CaCl~2~-Type Phases of Ruthenium Dioxide","Acta Crystallographica Section B","1997","53","6","880","884","10.1107/S0108768197008094","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101931","4.4865","0.0005","4.4347","0.0005","3.0934","0.0003","90","","90","","90","","61.547","0.011","298","","298","","","","","","","","","2","P n n m","-P 2 2n","58","","ruthenium dioxide","","- O2 Ru -","- O2 Ru -","- O4 Ru2 -","2","0.25","BR0060","Haines, J.; Léger, J. M.; Schulte, O.; Hull, S.","Neutron Diffraction Study of the Ambient-Pressure, Rutile-Type and the High-Pressure, CaCl~2~-Type Phases of Ruthenium Dioxide","Acta Crystallographica Section B","1997","53","6","880","884","10.1107/S0108768197008094","","neutron","","neutron","","","","","","","","","","","","","","","","","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",""
"2101939","6.5086","0.0011","9.0954","0.0007","26.686","0.005","90","","93.325","0.014","90","","1577.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3-methoxyphenyl)piperazine maleate","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C60 H80 N8 O20 -","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","","0.2664","0.0759","","0.1947","0.1558","","","","0.858","1.278","1.278","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101940","9.4085","0.0006","9.87","0.0006","10.9433","0.0007","77.563","0.005","81.341","0.005","81.08","0.005","973.11","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(2-methoxyphenyl)piperazine picrate","","- C17 H19 N5 O8 -","- C17 H19 N5 O8 -","- C34 H38 N10 O16 -","2","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","","0.0992","0.062","","0.1903","0.1718","","","","1.089","1.233","1.233","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101941","15.91","0.002","6.0477","0.0011","18.66","0.002","90","","108.028","0.01","90","","1707.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[(3-trifluoromethyl)phenyl-4-methylpiperazine maleate","","- C16 H19 F3 N2 O4 -","- C16 H19 F3 N2 O4 -","- C64 H76 F12 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","","0.092","0.0534","","0.1468","0.1353","","","","1.047","1.186","1.186","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101942","6.716","0.006","9.048","0.009","6.074","0.004","89.19","0.04","118.17","0.05","108.85","0.04","303.7","0.5","293","2","293","2","","","","","","","","2","P -1","-P 1","2","Molybdenum Pentachloride","β-Molybdenum Pentachloride","","- Cl5 Mo -","- Cl5 Mo -","- Cl10 Mo2 -","2","1","JZ0002","Beck, J.; Wolf, F.","Three New Polymorphic Forms of Molybdenum Pentachloride","Acta Crystallographica Section B","1997","53","6","895","903","10.1107/S0108768197008331","","","0.71073","MoKα","","0.041","0.022","","0.0462","0.0438","","","","0.965","1.049","1.049","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101943","11.7","0.009","17.874","0.01","6.085","0.003","90","","90","","90","","1272.5","1.4","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","Molybdenum Pentachloride","γ-Molybdenum Pentachloride","","- Cl5 Mo -","- Cl5 Mo -","- Cl40 Mo8 -","8","1","JZ0002","Beck, J.; Wolf, F.","Three New Polymorphic Forms of Molybdenum Pentachloride","Acta Crystallographica Section B","1997","53","6","895","903","10.1107/S0108768197008331","","","0.71073","MoKα","","0.0466","0.04","","0.1259","0.1211","","","","1.147","1.203","1.203","","","","","has coordinates,has Fobs","278244","2022-09-28","13:56:22",""
"2101944","9.4682","0.0007","11.7496","0.0009","12.1619","0.0011","90","","108.879","0.005","90","","1280.2","0.18","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","Molybdenum Pentachloride","δ-Molybdenum Pentachloride","","- Cl10 Mo2 -","- Cl10 Mo2 -","- Cl40 Mo8 -","4","1","JZ0002","Beck, J.; Wolf, F.","Three New Polymorphic Forms of Molybdenum Pentachloride","Acta Crystallographica Section B","1997","53","6","895","903","10.1107/S0108768197008331","","","0.71073","MoKα","","0.0629","0.0359","","0.1188","0.0987","","","","1.038","1.047","1.047","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101945","13.238","0.001","12.995","0.001","9.309","0.004","90","","100.938","0.013","90","","1572.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2',4'-dichlorobenzyloxy)-2-azaspiro[4.4]nonane-1,3-dione","","- C15 H15 Cl2 N O3 -","- C15 H15 Cl2 N O3 -","- C60 H60 Cl8 N4 O12 -","4","1","KA0034","Ciechanowicz-Rutkowska, M.; Lieberman, H. F.; Hursthouse, M. B.; Scott, K. R.","Crystallographic and Molecular Mechanics Study of Imidooxy Anticonvulsants","Acta Crystallographica Section B","1997","53","6","945","952","10.1107/S0108768197008033","","","0.71069","MoKα","","0.159","0.0413","","0.0947","0.0828","","","","0.605","1.044","1.044","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101946","25.005","0.005","12.7399","0.0011","9.3636","0.001","90","","92.436","0.009","90","","2980.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(2'-bromobezyloxy)-2-azaspiro[4.4]nonane-1,3-dione","","- C15 H16 Br N O3 -","- C15 H16 Br N O3 -","- C120 H128 Br8 N8 O24 -","8","1","KA0034","Ciechanowicz-Rutkowska, M.; Lieberman, H. F.; Hursthouse, M. B.; Scott, K. R.","Crystallographic and Molecular Mechanics Study of Imidooxy Anticonvulsants","Acta Crystallographica Section B","1997","53","6","945","952","10.1107/S0108768197008033","","","0.71069","MoKα","","0.1322","0.0599","","0.1945","0.1328","","","","0.56","0.755","0.755","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101947","30.032","0.003","12.0381","0.0013","9.099","0.003","90","","92.362","0.015","90","","3286.8","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(4'(trifluoromethyl)-bezyloxy)-2-azaspiro[4.4]nonane-1,3-dione","","- C16 H16 F3 N O3 -","- C16 H16 F3 N O3 -","- C128 H128 F24 N8 O24 -","8","1","KA0034","Ciechanowicz-Rutkowska, M.; Lieberman, H. F.; Hursthouse, M. B.; Scott, K. R.","Crystallographic and Molecular Mechanics Study of Imidooxy Anticonvulsants","Acta Crystallographica Section B","1997","53","6","945","952","10.1107/S0108768197008033","","","0.71069","MoKα","","0.2553","0.0883","","0.2703","0.1825","","","","0.663","1.103","1.103","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2101948","9.055","0.005","12.253","0.01","26.855","0.007","90","","95.16","0.03","90","","2968","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4'-chlorobenzyloxy)-2-azaspiro[4.4]nonane-1,3-dione","","- C15 H16 Cl N O3 -","- C15 H16 Cl N O3 -","- C120 H128 Cl8 N8 O24 -","8","2","KA0034","Ciechanowicz-Rutkowska, M.; Lieberman, H. F.; Hursthouse, M. B.; Scott, K. R.","Crystallographic and Molecular Mechanics Study of Imidooxy Anticonvulsants","Acta Crystallographica Section B","1997","53","6","945","952","10.1107/S0108768197008033","","","0.71069","MoKα","","0.1982","0.0483","","0.2218","0.1145","","","","0.472","0.595","0.595","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101949","9.101","0.002","12.274","0.002","27.27","0.002","90","","96.544","0.012","90","","3026.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4'-bromobenzyloxy)-2-azaspiro[4.4]nonane-1,3-dione","","- C15 H16 Br N O3 -","- C15 H16 Br N O3 -","- C120 H128 Br8 N8 O24 -","8","2","KA0034","Ciechanowicz-Rutkowska, M.; Lieberman, H. F.; Hursthouse, M. B.; Scott, K. R.","Crystallographic and Molecular Mechanics Study of Imidooxy Anticonvulsants","Acta Crystallographica Section B","1997","53","6","945","952","10.1107/S0108768197008033","","","0.71069","MoKα","","0.3109","0.0589","","0.2241","0.1341","","","","0.514","0.803","0.803","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101950","16.152","0.001","16.152","0.001","5.353","0.001","90","","90","","120","","1209.4","0.2","","","","","","","","","","","","3","P 3","P 3","","","","","- C16 H22 N6 -","- C17.3333 H23.3333 N6 -","- C52 H70 N18 -","3","1","NA0079","Ochando, L. E.; Rius, J.; Louër, D.; Claramunt, R. M.; Lopez, C.; Elguero, J.; Amigó, J. M.","Phase Transitions in Tris(3,5-dimethylpyrazol-1-yl)methane. The Structure of the High-Temperature Phase from X-ray Powder Diffraction","Acta Crystallographica Section B","1997","53","6","939","944","10.1107/S0108768197007830","","","1.5406","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101951","7.72","0.002","21.235","0.005","8.248","0.002","90","","91.12","0.02","90","","1351.9","0.6","93","2","93","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Tetrakis(trichlorophosphazeno)phosphonium hexachlorophosphate","","- Cl18 N4 P6 -","- Cl18 N4 P6 -","- Cl36 N8 P12 -","2","0.5","SE0209","Belaj, F.","Structure and Motion of Tetrakis(trichlorophosphazeno)phosphonium Hexachlorophosphate, [P(NPCl~3~)~4~]^+^PCl~6~^{-^}, at 93 K","Acta Crystallographica Section B","1997","53","6","923","927","10.1107/S0108768197005429","","","0.71069","MoKα","","0.0797","0.0497","","0.1274","0.1091","","","","1.007","1.058","1.058","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101952","9.958","0.002","11.546","0.002","15.726","0.002","90","","96.9","0.01","90","","1795","0.5","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","Chloro-bis(trichlorophosphazeno)methyl hexachlorophosphate","[N-(chloroformimidoyl)phosphorimidic trichloridato]trichlorophosphorus hexachlorophosphate","","- C Cl13 N2 P3 -","- C Cl13 N2 P3 -","- C4 Cl52 N8 P12 -","4","2","SE0217","Belaj, F.","Structures of the Phosphazenes [ClC(NPCl~3~)~2~]^+^PCl~6~^{-^} and [CH~3~C(NPCl~3~)~2~]^+^SbCl~6~^{-^} at 90 K","Acta Crystallographica Section B","1997","53","6","953","960","10.1107/S0108768197008343","","","0.71069","MoKα","","0.0433","0.0313","","0.0854","0.0748","","","","1.063","1.052","1.052","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101953","12.133","0.001","12.229","0.001","13.975","0.002","90.09","0.01","91.17","0.01","108.86","0.01","1961.7","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","Methyl-bis(trichlorophosphazeno)methyl hexachloroantimonate","[N-(acetimidoyl) phosphorimidic trichloridato]trichlorophosphorus hexachloroantimonate","","- C2 H3 Cl12 N2 P2 Sb -","- C2 H3 Cl12 N2 P2 Sb -","- C8 H12 Cl48 N8 P8 Sb4 -","4","2","SE0217","Belaj, F.","Structures of the Phosphazenes [ClC(NPCl~3~)~2~]^+^PCl~6~^{-^} and [CH~3~C(NPCl~3~)~2~]^+^SbCl~6~^{-^} at 90 K","Acta Crystallographica Section B","1997","53","6","953","960","10.1107/S0108768197008343","","","0.71069","MoKα","","0.0481","0.0357","","0.0932","0.0861","","","","1.033","1.075","1.075","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101954","8.444","0.002","7.378","0.002","5.1416","0.0006","90","","90","","90","","320.32","0.12","293","2","","","","","","","","","","3","P n a 21","P 2c -2n","","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","SH0093","Le Hénaff, C.; Hansen, N. K.; Protas, J.; Marnier, G.","Electron Density Distribution in LiB~3~O~5~ at 293 K","Acta Crystallographica Section B","1997","53","6","870","879","10.1107/S0108768197007817","","","0.56087","AgKα","","","0.0147","","","0.0193","","","","","1.106","1.106","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106151","11.38","","12.996","","3.9155","","90","","90","","90","","579.081","","","","","","","","","","","","","5","F 2 2 2","F 2 2","22","","((Bi0.06 Sr0.46 Ca0.48)2 Cu2 O3)7","","- Bi0.84 Ca6.72 Cu8 O16 Sr6.44 -","- Bi0.84 Ca6.72 Cu8 O16 Sr6.44 -","- Bi0.84 Ca6.72 Cu8 O16 Sr6.44 -","1","0.0625","","Jensen, A.F.; Larsen, F.K.; Iversen, B.B.; Schultz, T.; Gao, Y.; Petricek, V.","Importance of the true satellite reflections in the analysis of modulated, composite crystal structures. I. A new refinement of (M2 Cu2 O3)7+d (Cu O2)10, M= Bi0.06 Sr0.46 Ca0.48","Acta Crystallographica B (39,1983-)","1997","53","","113","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","145411","2020-10-21","18:00:00",""
"2106152","11.4712","","13.3765","","3.9316","","90","","90","","90","","603.282","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","((Bi0.04 Sr0.96)2 Cu2 O3)4","","- Bi0.32 Cu4 O8 Sr7.68 -","- Bi0.32 Cu4 O12 Sr7.68 -","- Bi0.32 Cu4 O12 Sr7.68 -","1","0.03125","","Jensen, A.F.; Petricek, V.; Larsen, F.K.; McCarron, E.M.","Importance of the true satellite reflections in the analysis of modulated, composite crystal structures. II. The structur structure of (M2' Cu2 O3)7 (Cu O2)10, M'= Bi0.04 Sr0.96","Acta Crystallographica B (39,1983-)","1997","53","","113","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","145412","2020-10-21","18:00:00",""
"2300447","4.9246","0.0001","8.5216","0.0001","5.0245","0.0001","90","","109.398","0.001","90","","198.886","0.006","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Lithium Manganese Oxide (1.99/1.01/3)","","- Li1.99 Mn1.01 O3 -","- Li1.99 Mn1.01 O3 -","- Li7.96 Mn4.04 O12 -","4","0.5","","Massarotti, V.; Bini, M.; Capsoni, D.; Altomare, A.; Moliterni, A. G. G.","Ab initio structure determination of Li~2~MnO~3~ from X-ray powder diffraction data","Journal of Applied Crystallography","1997","30","2","123","127","10.1107/S0021889896012460","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","176332","2020-10-21","18:00:00",""
"4001652","3.9494","0.0006","26.391","0.008","19.93","0.004","90","","95.3","0.02","90","","2068.4","0.8","183","2","183","2","","","","","","","purchased from the Aldrich Chemical Co.","4","P 1 21/c 1","-P 2ybc","14","","1,4-di-p-toluidinoanthraquinone","","- C28 H22 N2 O2 -","- C28 H22 N2 O2 -","- C112 H88 N8 O8 -","4","1","","Saito, Toshiro; Liu, Chong-yang; Lynch, Vincent M.; Bard, Allen J.","Orientational Dependence of the Color and Photoconductivity of 1,4-Di-p-toluidinoanthraquinone Single Crystals","Chemistry of Materials","1997","9","6","1318","","10.1021/cm960652f","","","0.71073","MoKα","","0.2054","0.0781","","0.1883","0.1339","","","","1.028","1.255","1.255","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4001655","17.28","0.005","17.28","0.005","23.129","0.008","90","","90","","90","","6906","4","130","2","130","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","Eu&v14&0InSb&v11&0","","","- Eu14 In Sb11 -","- Eu14 In Sb11 -","- Eu112 In8 Sb88 -","8","0.25","","Chan, Julia Y.; Wang, Mary E.; Rehr, Anette; Kauzlarich, Susan M.; Webb, David J.","Synthesis, Structure, and Magnetic Properties of the Rare-Earth Zintl Compounds Eu14MnPn11and Eu14InPn11(Pn = Sb, Bi)","Chemistry of Materials","1997","9","10","2131","","10.1021/cm970219l","","","0.71073","MoKα","","0.0514","0.0404","","0.0865","0.0823","","","","1.09","1.13","1.13","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001656","17.632","0.004","17.632","0.004","23.047","0.006","90","","90","","90","","7165","3","130","2","130","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","Eu&v14&0MnBi&v11&0","","","- Bi11 Eu14 Mn -","- Bi11 Eu14 Mn -","- Bi88 Eu112 Mn8 -","8","0.25","","Chan, Julia Y.; Wang, Mary E.; Rehr, Anette; Kauzlarich, Susan M.; Webb, David J.","Synthesis, Structure, and Magnetic Properties of the Rare-Earth Zintl Compounds Eu14MnPn11and Eu14InPn11(Pn = Sb, Bi)","Chemistry of Materials","1997","9","10","2131","","10.1021/cm970219l","","","0.71073","MoKα","","0.0803","0.0453","","0.0896","0.0782","","","","0.987","1.045","1.045","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001750","9.563","","9.563","","7.575","","90","","90","","120","","599.931","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","(Y0.5 Bi0.5) Fe3 (B O3)4","","- B4 Bi0.5 Fe3 O12 Y0.5 -","- B4 Bi0.5 Fe3 O12 Y0.5 -","- B12 Bi1.5 Fe9 O36 Y1.5 -","3","0.166667","","Cascales, C.; Monge, M.A.; Ruiz-Valero, C.; Gutierrez-Puebla, E.; Campa, J.A.; Rasines, I.","Crystal structure, magnetic order, and vibrational behavior in iron rare-earth borates","Chemistry of Materials (1,1989-)","1997","9","","237","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001752","9.592","","9.592","","7.597","","90","","90","","120","","605.328","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","La Fe3 (B O3)4","","- B4 Fe3 La O12 -","- B4 Fe3 La O12 -","- B12 Fe9 La3 O36 -","3","0.166667","","Campa, J.A.; Rasines, I.; Cascales, C.; Ruiz-Valero, C.; Monge, M.A.; Gutierrez-Puebla, E.","Crystal structure, magnetic order, and vibrational behavior in iron rare-earth borates","Chemistry of Materials (1,1989-)","1997","9","","237","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001753","9.578","","9.578","","7.605","","90","","90","","120","","604.198","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Nd Fe3 (B O3)4","","- B4 Fe3 Nd O12 -","- B4 Fe3 Nd O12 -","- B12 Fe9 Nd3 O36 -","3","0.166667","","Monge, M.A.; Rasines, I.; Gutierrez-Puebla, E.; Ruiz-Valero, C.; Cascales, C.; Campa, J.A.","Crystal structure, magnetic order, and vibrational behavior in iron rare-earth borates","Chemistry of Materials (1,1989-)","1997","9","","237","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027803","5.9468","","14.09","","24.605","","90","","90","","90","","2061.66","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Cs2 (Ag Nb S4)","","- Ag Cs2 Nb S4 -","- Ag Cs2 Nb S4 -","- Ag8 Cs16 Nb8 S32 -","8","0.25","","Klepp, K.O.; Gabl, G.","New complex sulfides of the heavy Va-metals with pseudo-onedimensional structures: preparation and structural characterization of K2 Ag Nb S4, Cs2 Ag Nb S4, K2 Ag Ta S4, Rb2 Ag Ta S4 and Cs2 Ag Ta S4","European Journal of Solid State Inorganic Chemistry","1997","34","","1119","1131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027804","5.976","","14.098","","24.61","","90","","90","","90","","2073.38","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Cs2 (Ag Ta S4)","","- Ag Cs2 S4 Ta -","- Ag Cs2 S4 Ta -","- Ag8 Cs16 S32 Ta8 -","8","0.25","","Gabl, G.; Klepp, K.O.","New complex sulfides of the heavy Va-metals with pseudo-onedimensional structures: preparation and structural characterization of K2 Ag Nb S4, Cs2 Ag Nb S4, K2 Ag Ta S4, Rb2 Ag Ta S4 and Cs2 Ag Ta S4","European Journal of Solid State Inorganic Chemistry","1997","34","","1119","1131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027809","5.913","","13.201","","22.645","","90","","90","","90","","1767.61","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","K2 (Ag Nb S4)","","- Ag K2 Nb S4 -","- Ag K2 Nb S4 -","- Ag8 K16 Nb8 S32 -","8","0.25","","Klepp, K.O.; Gabl, G.","New complex sulfides of the heavy Va-metals with pseudo-onedimensional structures: preparation and structural characterization of K2 Ag Nb S4, Cs2 Ag Nb S4, K2 Ag Ta S4, Rb2 Ag Ta S4 and Cs2 Ag Ta S4","European Journal of Solid State Inorganic Chemistry","1997","34","","1119","1131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027810","5.929","","13.197","","22.645","","90","","90","","90","","1771.86","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","K2 (Ag Ta S4)","","- Ag K2 S4 Ta -","- Ag K2 S4 Ta -","- Ag8 K16 S32 Ta8 -","8","0.25","","Klepp, K.O.; Gabl, G.","New complex sulfides of the heavy Va-metals with pseudo-onedimensional structures: preparation and structural characterization of K2 Ag Nb S4, Cs2 Ag Nb S4, K2 Ag Ta S4, Rb2 Ag Ta S4 and Cs2 Ag Ta S4","European Journal of Solid State Inorganic Chemistry","1997","34","","1119","1131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027811","5.953","","13.56","","23.5","","90","","90","","90","","1896.98","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Rb2 (Ag Ta S4)","","- Ag Rb2 S4 Ta -","- Ag Rb2 S4 Ta -","- Ag8 Rb16 S32 Ta8 -","8","0.25","","Gabl, G.; Klepp, K.O.","New complex sulfides of the heavy Va-metals with pseudo-onedimensional structures: preparation and structural characterization of K2 Ag Nb S4, Cs2 Ag Nb S4, K2 Ag Ta S4, Rb2 Ag Ta S4 and Cs2 Ag Ta S4","European Journal of Solid State Inorganic Chemistry","1997","34","","1119","1131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027812","7.932","","10.395","","10.025","","90","","90.6","","90","","826.547","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tl2 (Ag Ta S4)","","- Ag S4 Ta Tl2 -","- Ag S4 Ta Tl2 -","- Ag4 S16 Ta4 Tl8 -","4","1","","Klepp, K.O.; Sturmayr, D.","Complex chalcogenides of the Va metals: preparation and crystal structure of Tl2 Ag Ta S4","European Journal of Solid State Inorganic Chemistry","1997","34","","1133","1142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030854","12.582","0.001","12.582","0.001","3.992","0.003","90","","90","","90","","632","0.5","","","296","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- K6 Nb10.9 O30 -","- K6 Nb10.88 O30 -","- K6 Nb10.88 O30 -","1","0.0625","","Kumada, N.; Kinomura, N.","Preparation and crystal structure of K6Nb10.9O30","European Journal of Solid State and Inorganic Chemistry","1997","34","","65","72","","","x-ray","0.71069","MoKα","","","0.047","","","0.055","","","","","","","1.15","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030855","14.244","0.009","10.911","0.007","7.32","0.004","90","","90","","90","","1137.6","1.2","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Br5 H11 N3 V -","- Br5 H11 N3 V -","- Br20 H44 N12 V4 -","4","0.5","","Simon, M.; Meyer, G.","Action of ammonium chloride and bromide on vanadium, niobium and tantalum: synthesis and crystal structures of (NH4)2[V(NH3)X5], (NH4)6[{M5(NH)4}X17], (NH4)2[Ta2NX10] (X = Cl, Br)","European Journal of Solid State and Inorganic Chemistry","1997","34","","73","84","","","x-ray","0.71073","MoKα","","","0.035","","","0.0687","","","","","","","","","","","has coordinates","189051","2020-10-21","18:00:00",""
"4030856","13.4072","0.0009","13.4072","0.0009","10.1224","0.0012","90","","90","","90","","1819.5","0.3","","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Cl17 H28 N10 Ta5 -","- Cl17 H28 N10 Ta5 -","- Cl34 H56 N20 Ta10 -","2","0.0625","","Simon, M.; Meyer, G.","Action of ammonium chloride and bromide on vanadium, niobium and tantalum: synthesis and crystal structures of (NH4)2[V(NH3)X5], (NH4)6[{M5(NH)4}X17], (NH4)2[Ta2NX10] (X = Cl, Br)","European Journal of Solid State and Inorganic Chemistry","1997","34","","73","84","","","x-ray","0.71073","MoKα","","","0.045","","","0.1459","","","","","","","","","","","has coordinates","189050","2020-10-21","18:00:00",""
"4030857","10.553","0.002","10.553","0.002","10.553","0.002","90","","90","","90","","1175.2","0.4","","","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Br6 H8 N2 Nb -","- Br6 H8 N2 Nb -","- Br24 H32 N8 Nb4 -","4","0.0208333","","Simon, M.; Meyer, G.","Action of ammonium chloride and bromide on vanadium, niobium and tantalum: synthesis and crystal structures of (NH4)2[V(NH3)X5], (NH4)6[{M5(NH)4}X17], (NH4)2[Ta2NX10] (X = Cl, Br)","European Journal of Solid State and Inorganic Chemistry","1997","34","","73","84","","","x-ray","0.71073","MoKα","","","0.063","","","0.1159","","","","","","","","","","","has coordinates","189051","2020-10-21","18:00:00",""
"4030858","6.9899","0.0006","6.9899","0.0006","18.561","0.003","90","","90","","90","","906.87","0.18","","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Cl10 H12 N4 Ta2 -","- Cl10 H12 N4 Ta2 -","- Cl20 H24 N8 Ta4 -","2","0.0625","","Simon, M.; Meyer, G.","Action of ammonium chloride and bromide on vanadium, niobium and tantalum: synthesis and crystal structures of (NH4)2[V(NH3)X5], (NH4)6[{M5(NH)4}X17], (NH4)2[Ta2NX10] (X = Cl, Br)","European Journal of Solid State and Inorganic Chemistry","1997","34","","73","84","","","x-ray","0.71073","MoKα","","","0.0278","","","0.0572","","","","","","","","","","","has coordinates","189051","2020-10-21","18:00:00",""
"4030859","7.2834","0.0003","7.2834","0.0003","19.403","0.001","90","","90","","90","","1029.29","0.08","","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Br10 H12 N4 Ta2 -","- Br10 H12 N4 Ta2 -","- Br20 H24 N8 Ta4 -","2","0.125","","Simon, M.; Meyer, G.","Action of ammonium chloride and bromide on vanadium, niobium and tantalum: synthesis and crystal structures of (NH4)2[V(NH3)X5], (NH4)6[{M5(NH)4}X17], (NH4)2[Ta2NX10] (X = Cl, Br)","European Journal of Solid State and Inorganic Chemistry","1997","34","","73","84","","","x-ray","0.71073","MoKα","","","0.0425","","","0.082","","","","","","","","","","","has coordinates","189051","2020-10-21","18:00:00",""
"4030860","7.403","0.002","11.403","0.005","14.113","0.004","97.6","0.02","91.07","0.02","82.01","0.02","1169.4","0.7","","","294","","","","","","","","","5","P -1","-P 1","2","","","","- Cd2 H16 K2 O26 P6 -","- Cd2 H16 K2 O26 P6 -","- Cd4 H32 K4 O52 P12 -","2","1","","Abid, S.; Rzaigui, M.; Bagieu-Beucher, M.; Le Fur, Y.","Chemical preparation, thermal behavior and crystal structure of cadmium-potassium cyclohexaphosphate octahydrate","European Journal of Solid State and Inorganic Chemistry","1997","34","","139","150","","","x-ray","0.5608","AgKα","","","0.023","","","0.028","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030861","12.412","0.001","9.175","0.001","13.819","0.002","90","","103.11","0.01","90","","1532.7","0.3","","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H15 As3 Mo2 N2 O12 -","- C3 H15 As3 Mo2 N2 O12 -","- C12 H60 As12 Mo8 N8 O48 -","4","1","","Dumas, E.; Livage, C.; Riou, D.; Herve, G.","Hydrothermal versus non-hydrothermal for the synthesis of the molybdoarsenate anion [Mo4O8(HAs3O7)2]4-. Crystal structure of [H3N(CH2)3NH3]2[Mo4O8(HAs3O7)2].2H2O","European Journal of Solid State and Inorganic Chemistry","1997","34","","151","159","","","x-ray","0.71073","MoKα","","","0.036","","","0.081","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030862","6.562","0.003","6.604","0.003","6.61","0.003","65.9","0.03","83.49","0.04","87.29","0.04","259.8","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Ca Mn O7 P2 -","- Ca Mn O7 P2 -","- Ca2 Mn2 O14 P4 -","2","1","","Amroussi, F.; Moqine, A.; Boukhari, A.; Holt, E. M.","Synthesis and characterization of the solid solution, Ca(2-x)MnxP2O7, 0<x<2 crystal structure of CaMnP2O7","European Journal of Solid State and Inorganic Chemistry","1997","34","","161","168","","","x-ray","0.71073","MoKα","","","0.0574","","","0.0678","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030863","13.3866","0.0006","13.3866","0.0006","13.3866","0.0006","90","","90","","90","","2398.89","0.19","","","295","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","","","- Br14 Cu2 W6 -","- Br14 Cu2 W6 -","- Br56 Cu8 W24 -","4","0.166667","","Ihmaine, S.; Perrin, C.; Sergent, M.","New halides in the tungsten octahedral cluster chemistry, Cu2W6X14 (X = Cl, Br): crystal structure of Cu2W6Br14","European Journal of Solid State and Inorganic Chemistry","1997","34","","169","178","","","x-ray","0.71073","MoKα","","","0.035","","","0.037","","","","","","","0.986","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030864","7.8941","0.0009","15.127","0.002","4.7931","0.0004","90","","90","","90","","572.36","0.11","","","293","","","","","","","","","4","C 2 m m","C -2 2","38","","","","- C4 H4 Gd O12 -","- C4 Gd2 O12 -","- C8 Gd4 O24 -","2","0.25","","Romero, S.; Moset, A.; Trombe, J. C.","A new family of lanthanide oxalate carbonate, [Ln(H2O)]2(C2O4)(CO3)2 with Ln = Eu...Ho, presenting a relatively open framework","European Journal of Solid State and Inorganic Chemistry","1997","34","","209","219","","","x-ray","0.71073","MoKα","","","0.0215","","","0.0225","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030865","4.589","0.001","8.446","0.002","8.976","0.003","90","","97.76","0.03","90","","344.71","0.16","","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Co2 Li O10 P3 -","- Co2 Li O10 P3 -","- Co4 Li2 O20 P6 -","2","0.5","","Rissouli, K.; Benkhouja, K.; Sadel, A.; Bettach, M.; Zahir, M.; Giorgi, M.; Pierrot, M.; Drillon, M.","A new type of triphosphate group : crystal structure and magnetic properties of Co2LiP3O10","European Journal of Solid State and Inorganic Chemistry","1997","34","","221","230","","","x-ray","0.71073","MoKα","","","0.033","","","0.042","","","","","","","1.46","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030866","11.773","0.002","12.071","0.002","19.843","0.003","98.71","0.01","107.14","0.01","103.14","0.01","2550.8","0.8","","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Cl24 Cu Nd2 O22 -","- C16 Cl24 Cu Nd2 O22 -","- C32 Cl48 Cu2 Nd4 O44 -","2","1","","Kutlu, I.; Meyer, G.; Oczko, G.; Legendziewicz, J.","Synthesis and crystal strucyure of the heteronuclear chain trichloroacetate CuNd2(Cl3CCOO)8.6H2O","European Journal of Solid State and Inorganic Chemistry","1997","34","","231","238","","","x-ray","0.71073","MoKα","","","0.0576","","","0.1467","","","","","","","1.225","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030867","7.37","0.001","8.461","0.001","10.711","0.001","75.04","0.01","71.57","0.01","66.13","0.02","572.89","0.14","","","293","","","","","","","","","3","P -1","-P 1","2","","","","- F5 K Zr -","- F5 K Zr -","- F30 K6 Zr6 -","6","3","","Gaumet, V.; El-Ghozzi, M.; Avignant, D.","Crystal structure of KZrF5","European Journal of Solid State and Inorganic Chemistry","1997","34","","283","293","","","x-ray","0.71073","MoKα","","","0.031","","","0.033","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030868","23.783","0.005","15.781","0.005","4.052","0.001","90","","90","","90","","1520.8","0.7","","","293","","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- In18.88 Pb7.12 Se34 -","- In18.88 Pb7.12 Se34 -","- In18.88 Pb7.12 Se34 -","1","0.125","","Eddike, D.; Ramdani, A.; Brun, G.; Liautard, B.; Tedenac, J. C.; Tillard, M.; Belin, C.","Crystal structure of Pb7.12In18.88Se34","European Journal of Solid State and Inorganic Chemistry","1997","34","","309","316","","","x-ray","0.71073","MoKα","","","0.067","","","","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030869","3.994","0.001","6.531","0.001","7.698","0.001","90","","90","","90","","200.8","0.06","","","293","","","","","","","","","4","P m m m","-P 2 2","47","","","","- F9.7 Tl Zn1.65 Zr1.35 -","- F9.7 Tl Zn1.65 Zr1.35 -","- F9.7 Tl Zn1.65 Zr1.35 -","1","0.125","","Gaumet, V.; El-Ghozzi, M.; Cousseins, J. C.; Avignant, D.","On the averaged crystal structure of the TlZn(1.5+x)Zr(1.5-x)F(10-2x) (x = 0.15)","European Journal of Solid State and Inorganic Chemistry","1997","34","","343","354","","","x-ray","0.71069","MoKα","","","0.041","","","0.044","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030870","7.6082","0.0007","19.127","0.002","11.55","0.001","90","","90.876","0.001","90","","1680.6","0.3","","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cu N2 O2 -","- C20 Cu N2 O2 -","- C80 Cu4 N8 O8 -","4","1","","Yao, H. H.; Huang, W. T.; Lo, J. M.; Liao, F. L.; Wang, S. L.","Molecular structures of two cu5II) complexes with tetradentate imine-phenols","European Journal of Solid State and Inorganic Chemistry","1997","34","","355","366","","","x-ray","0.71073","MoKα","","","0.0403","","","0.0415","","","","","","","1.47","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030871","31.6778","0.0002","31.6778","0.0002","9.0834","0.0002","90","","90","","120","","7893.85","0.19","","","296","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H16 Cu N2 O3 -","- C20 Cu N2 O3 -","- C360 Cu18 N36 O54 -","18","1","","Yao, H. H.; Huang, W. T.; Lo, J. M.; Liao, F. L.; Wang, S. L.","Molecular structures of two cu5II) complexes with tetradentate imine-phenols","European Journal of Solid State and Inorganic Chemistry","1997","34","","355","366","","","x-ray","0.71073","MoKα","","","0.0537","","","0.0543","","","","","","","1.47","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030872","7.015","0.001","11.867","0.002","13.324","0.003","63.786","0.009","78.629","0.009","87.597","0.008","974.3","0.3","","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H16 N2 S7 Sb4 -","- C4 N2 S7 Sb4 -","- C8 N4 S14 Sb8 -","2","1","","Bensch, W.; Schur, M.","Synthesis crystal structure of (C2H5NH3)2Sb4S7, a novel thioantimonate(III) framework exhibiting an untrecedented architecture","European Journal of Solid State and Inorganic Chemistry","1997","34","","457","466","","","x-ray","0.71073","MoKα","","","0.0388","","","","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030873","12.305","0.003","12.421","0.003","20.448","0.002","78.84","0.01","89.58","0.01","73.37","0.02","2934.1","1.1","","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H63 Li N4 Sn4 -","","","2","1","","Flacke, F.; Jacobs, H.","[Li(NH3)4][Sn(SnPh3)3].C6H6, crystal structure of a stannide with trigonal pyramidal tin skeleton","European Journal of Solid State and Inorganic Chemistry","1997","34","","495","501","","","x-ray","0.71073","MoKα","","","0.066","","","0.155","","","","","","","","","","","","191028","2020-10-21","18:00:00",""
"4030874","13.024","0.001","7.2974","0.0002","13.281","0.001","90","","121.124","0.008","90","","1080.54","0.15","","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- As2 H2 Mo3 O15 -","- As2 Mo3 O15 -","- As8 Mo12 O60 -","4","0.5","","Kasthuri Rangan, K.; Joubert, O.; Verbaere, A.; Tournoux, M.; Gopalakrishnan, J.","","European Journal of Solid State and Inorganic Chemistry","1997","34","","511","525","","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.082","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030875","12.848","0.001","13.446","0.002","7.057","0.001","90","","114.35","0.01","90","","1110.7","0.3","","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cd4 K O12 V3 -","- Cd4.01 K0.99 O12 V3 -","- Cd16.04 K3.96 O48 V12 -","4","0.5","","Eddahby, L.; Berrada, A.; Boukhari, A.; Holt, E. M.","Potassium cadmium orthovanadate and potassium tetracadmium trisorthovanadate","European Journal of Solid State and Inorganic Chemistry","1997","34","","527","551","","","x-ray","0.71073","MoKα","","","0.0316","","","0.0921","","","","","","","1.071","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030876","14.821","0.002","5.708","0.001","19.895","0.002","90","","90.18","0.01","90","","1683.1","0.4","","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cd K O4 V -","- Cd K O4 V -","- Cd16 K16 O64 V16 -","16","4","","Eddahby, L.; Berrada, A.; Boukhari, A.; Holt, E. M.","Potassium cadmium orthovanadate and potassium tetracadmium trisorthovanadate","European Journal of Solid State and Inorganic Chemistry","1997","34","","527","551","","","x-ray","0.71073","MoKα","","","0.0532","","","0.0765","","","","","","","0.997","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030878","10.0986","0.0005","10.0986","0.0005","10.0986","0.0005","90","","90","","90","","1029.87","0.09","","","293","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O7 Ti2 Y2 -","- O7 Ti2 Y2 -","- O56 Ti16 Y16 -","8","0.0416667","","Chtoun, E.; Hanebali, N.; Garnier, P.; Kiat, J. M.","X-rays and neutrons Rietveld analysis of the solid solutions (1-x)A2Ti2O(7-x)MgTiO3 (A = Y or Eu)","European Journal of Solid State and Inorganic Chemistry","1997","34","","553","561","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.049","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030879","10.0905","0.0013","10.0905","0.0013","10.0905","0.0013","90","","90","","90","","1027.4","0.2","","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Mg0.4 O6.8 Ti2 Y1.6 -","- Mg0.4 O6.8002 Ti2 Y1.6 -","- Mg3.2 O54.4016 Ti16 Y12.8 -","8","0.0416667","","Chtoun, E.; Hanebali, N.; Garnier, P.; Kiat, J. M.","X-rays and neutrons Rietveld analysis of the solid solutions (1-x)A2Ti2O(7-x)MgTiO3 (A = Y or Eu)","European Journal of Solid State and Inorganic Chemistry","1997","34","","553","561","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.053","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030880","10.0932","0.0018","10.0932","0.0018","10.0932","0.0018","90","","90","","90","","1028.2","0.3","","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Mg0.374 O6.813 Ti2 Y1.626 -","- Mg0.374 O6.8128 Ti2 Y1.626 -","- Mg2.992 O54.5024 Ti16 Y13.008 -","8","0.0416667","","Chtoun, E.; Hanebali, N.; Garnier, P.; Kiat, J. M.","X-rays and neutrons Rietveld analysis of the solid solutions (1-x)A2Ti2O(7-x)MgTiO3 (A = Y or Eu)","European Journal of Solid State and Inorganic Chemistry","1997","34","","553","561","","powder diffraction","neutron","1.2258","","","","","","","","","","0.032","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030881","10.2064","0.0005","10.2064","0.0005","10.2064","0.0005","90","","90","","90","","1063.21","0.09","","","293","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Eu2 O7 Ti2 -","- Eu2 O7 Ti2 -","- Eu16 O56 Ti16 -","8","0.0416667","","Chtoun, E.; Hanebali, N.; Garnier, P.; Kiat, J. M.","X-rays and neutrons Rietveld analysis of the solid solutions (1-x)A2Ti2O(7-x)MgTiO3 (A = Y or Eu)","European Journal of Solid State and Inorganic Chemistry","1997","34","","553","561","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.048","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030882","10.1845","0.0005","10.1845","0.0005","10.1845","0.0005","90","","90","","90","","1056.38","0.09","","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Eu1.34 Mg0.66 O6.67 Ti2 -","- Eu1.34 Mg0.66 O6.67 Ti2 -","- Eu10.72 Mg5.28 O53.36 Ti16 -","8","0.0416667","","Chtoun, E.; Hanebali, N.; Garnier, P.; Kiat, J. M.","X-rays and neutrons Rietveld analysis of the solid solutions (1-x)A2Ti2O(7-x)MgTiO3 (A = Y or Eu)","European Journal of Solid State and Inorganic Chemistry","1997","34","","553","561","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.064","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030883","7.352","0.002","5.561","0.001","9.642","0.003","90","","90","","90","","394.21","0.18","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K O4 P Sr -","- K O4 P Sr -","- K4 O16 P4 Sr4 -","4","0.5","","El Ammari, L.; El Koumiri, M.; Depmeier, W.; Hesse, K.-F.; Elouadi, B.","The crystal structure of the monophosphate KSrPO4","European Journal of Solid State and Inorganic Chemistry","1997","34","","563","569","","","x-ray","0.71069","MoKα","","","0.039","","","0.026","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030884","7.272","0.001","9.409","0.002","11.937","0.002","90","","93.3","0","90","","815.4","0.2","","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H5 La O9 Se2 -","- La O9 Se2 -","- La4 O36 Se8 -","4","1","","Harrison, W. T. A.; Zhang, Z.","Synthesis and structure of La(HSeO3)(SeO4).2H2O","European Journal of Solid State and Inorganic Chemistry","1997","34","","599","606","","","x-ray","0.71073","MoKα","","","0.044","","","0.049","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030885","9.353","0.001","9.353","0.001","5.743","0.001","90","","90","","90","","502.39","0.12","","","293","","","","","","","","","2","I 41/a :2","-I 4ad","88","","","","- Li Si -","- Li Si -","- Li16 Si16 -","16","1","","Evers, J.; Oehlinger, G.; Sextl, G.","LiSi, a unique Zintl phase - although stable; it long evaded synthesis","European Journal of Solid State and Inorganic Chemistry","1997","34","","773","774","","","x-ray","1.5418","CuKα","","","0.071","","","0.071","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030886","9.764","0.003","9.764","0.003","5.784","0.003","90","","90","","90","","551.4","0.4","","","293","","","","","","","","","2","I 41/a :2","-I 4ad","88","","","","- Ge Li -","- Ge Li -","- Ge16 Li16 -","16","1","","Evers, J.; Oehlinger, G.; Sextl, G.","LiSi, a unique Zintl phase - although stable; it long evaded synthesis","European Journal of Solid State and Inorganic Chemistry","1997","34","","773","774","","","x-ray","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030887","8.6334","0.0007","8.6334","0.0007","21.533","0.003","90","","90","","120","","1389.9","0.3","","","450","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Li O12 P3 Sn2 -","- Li O12 P3 Sn2 -","- Li6 O72 P18 Sn12 -","6","0.166667","","Morin, E.; Angenault, J.; Couturier, J. C.; Quarton, M.; He, H; Klinowski, J.","Phase transition and crystal structures of LiSn2(PO4)3","European Journal of Solid State and Inorganic Chemistry","1997","34","","947","958","","powder diffraction","neutron","2.398","","","","","","","","","","0.046","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030888","8.4029","0.0001","8.4408","0.0002","8.8897","0.0001","118.116","0.001","90.18","0.001","119.681","0.001","459.566","0.016","","","250","","","","","","","","","4","P -1","-P 1","2","","","","- Li O12 P3 Sn2 -","- Li O12 P3 Sn2 -","- Li2 O24 P6 Sn4 -","2","1","","Morin, E.; Angenault, J.; Couturier, J. C.; Quarton, M.; He, H; Klinowski, J.","Phase transition and crystal structures of LiSn2(PO4)3","European Journal of Solid State and Inorganic Chemistry","1997","34","","947","958","","powder diffraction","neutron","2.398","","","","","","","","","","0.045","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030889","16.622","0.004","15.739","0.003","7.626","0.002","90","","90","","90","","1995.1","0.8","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H31 La N10 S6 -","- La N10 S6 -","- La4 N40 S24 -","4","0.5","","Schimek, G. L.; Young, D. M.; Kolis, J. W.","(NH4)[La(NH3)9]S5S : A lanthanum ammine salt of a peculiarly disordered S5 (2-) chain","European Journal of Solid State and Inorganic Chemistry","1997","34","","1037","1050","","","x-ray","0.71073","MoKα","","","0.0315","","","0.0339","","","","","","","1.91","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030890","7.446","0.001","8.567","0.001","10.834","0.003","76.02","0.02","72.51","0.02","67.03","0.01","600.8","0.2","","","293","","","","","","","","","3","P -1","-P 1","2","","","","- F5 K Tb -","- F5 K Tb -","- F30 K6 Tb6 -","6","3","","Gaumet, V.; Largeau, E.; Avignant, D.","Crystal structure of KTbF5 and early crystal-chemical data from single-crystal works for eight-coordinated Tb4+ ion","European Journal of Solid State and Inorganic Chemistry","1997","34","","1075","1084","","","x-ray","0.71069","MoKα","","","0.035","","","0.039","","","","","","","0.882","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030893","12.756","0.004","25.514","0.005","8.035","0.002","90","","90","","90","","2615","1.2","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi Cl6 H4 N -","- Bi1.5 Cl5.5 N2.5 -","- Bi12 Cl44 N20 -","8","1","","Belkyal, I.; Mokhlisse, R.; Tanouti, B.; Hesse, K.-F.; Depmeier, W.","Crystal structure of (NH4)3BiCl6","European Journal of Solid State and Inorganic Chemistry","1997","34","","1085","1091","","","x-ray","0.71069","MoKα","","","0.05","","","0.106","","","","","","","1.934","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030894","6.0037","0.0001","6.0037","0.0001","15.8194","0.0005","90","","90","","120","","493.809","0.019","","","298","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Li Mo2 O8 Tl3 -","- Li Mo2 O8 Tl3 -","- Li2 Mo4 O16 Tl6 -","2","0.166667","","Colbeau-Justin, C.; Wallez, G.; Xuriguera, A.-M.; Elfakir, A.; Jaulmes, S.; Quarton, M.","Structure determination of Tl3Li(MoO4)2. Stereochemical activity of Tl(I) lone pair","European Journal of Solid State and Inorganic Chemistry","1997","34","","1097","1106","","powder diffraction","neutron","1.5938","","","","","","","","","","0.0657","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030895","13.502","0.001","13.502","0.001","7.9504","0.0008","90","","90","","90","","1449.4","0.2","","","293","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- Na3 S4 V -","- Na3 S4 V -","- Na24 S32 V8 -","8","1","","Klepp, K. O.; Gabl, G.","New complex sulfides of the Va-metals : Preparation and crystal structure of Na3VS4 (with a note on the crystal structure of the low temperature modofication of Na3PO4","European Journal of Solid State and Inorganic Chemistry","1997","34","","1143","1154","","","x-ray","0.71073","MoKα","","","0.017","","","0.015","","","","","","","0.89","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030896","6.805","0.005","10.226","0.002","13.03","0.01","90","","90.39","0.04","90","","906.7","1","","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cu Na3 Se4 Sn -","- Cu Na3 Se4 Sn -","- Cu4 Na12 Se16 Sn4 -","4","1","","Klepp, K. O.; Fabian, F.","Preparation and crystal structure of Na3CuSnSe4. A novel selenostannate(IV) with a layered structure","European Journal of Solid State and Inorganic Chemistry","1997","34","","1155","1163","","","x-ray","0.71073","MoKα","","","0.039","","","0.039","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030897","7.451","0.001","18.416","0.004","5.542","0.001","90","","90","","90","","760.5","0.2","","","293","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Cu2 Na Nb S4 -","- Cu2 Na Nb S4 -","- Cu8 Na4 Nb4 S16 -","4","0.5","","Rumpf, C.; Nather, C.; Jeb, I.; Bensch, W.","Synthesis, crystal structure and optical absorptions of the two-dimensional sulfide NaCu2NbS4","European Journal of Solid State and Inorganic Chemistry","1997","34","","1165","1177","","","x-ray","0.71073","MoKα","","","0.0289","","","0.0747","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030898","7.406","0.002","18.313","0.004","5.522","0.002","90","","90","","90","","748.9","0.4","","","150","","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Cu2 Na Nb S4 -","- Cu2 Na Nb S4 -","- Cu8 Na4 Nb4 S16 -","4","0.5","","Rumpf, C.; Nather, C.; Jeb, I.; Bensch, W.","Synthesis, crystal structure and optical absorptions of the two-dimensional sulfide NaCu2NbS4","European Journal of Solid State and Inorganic Chemistry","1997","34","","1165","1177","","","x-ray","0.71073","MoKα","","","0.0347","","","0.0889","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030899","5.448","0.001","13.31","0.002","23.431","0.004","90","","90","","90","","1699","0.5","","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- Cu Rb2 S4 V -","- Cu Rb2 S4 V -","- Cu8 Rb16 S32 V8 -","8","0.25","","Rumpf, C.; Tillinski, R.; Nather, C.; Durichen, P.; Jeb, I.; Bensch, W.","Synthesis, crystal structures and optical properties of new quaternary chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4 and Rb2CuNbS4","European Journal of Solid State and Inorganic Chemistry","1997","34","","1187","1198","","","x-ray","0.71073","MoKα","","","0.0217","","","0.046","","","","","","","1.004","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4030900","5.6312","0.0009","13.264","0.002","23.468","0.003","90","","90","","90","","1752.9","0.4","","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- Cu K2 Se4 V -","- Cu K2 Se4 V -","- Cu8 K16 Se32 V8 -","8","0.25","","Rumpf, C.; Tillinski, R.; Nather, C.; Durichen, P.; Jeb, I.; Bensch, W.","Synthesis, crystal structures and optical properties of new quaternary chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4 and Rb2CuNbS4","European Journal of Solid State and Inorganic Chemistry","1997","34","","1187","1198","","","x-ray","0.71073","MoKα","","","0.0182","","","0.0431","","","","","","","1.025","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030901","5.5924","0.0007","13.498","0.002","23.839","0.003","90","","90","","90","","1799.5","0.4","","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- Cu Nb Rb2 S4 -","- Cu Nb Rb2 S4 -","- Cu8 Nb8 Rb16 S32 -","8","0.25","","Rumpf, C.; Tillinski, R.; Nather, C.; Durichen, P.; Jeb, I.; Bensch, W.","Synthesis, crystal structures and optical properties of new quaternary chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4 and Rb2CuNbS4","European Journal of Solid State and Inorganic Chemistry","1997","34","","1187","1198","","","x-ray","0.71073","MoKα","","","0.0231","","","0.0513","","","","","","","0.964","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030902","5.7796","0.0003","13.887","0.002","24.609","0.002","90","","90","","90","","1975.2","0.3","","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- Cu Nb Rb2 Se4 -","- Cu Nb Rb2 Se4 -","- Cu8 Nb8 Rb16 Se32 -","8","0.25","","Rumpf, C.; Tillinski, R.; Nather, C.; Durichen, P.; Jeb, I.; Bensch, W.","Synthesis, crystal structures and optical properties of new quaternary chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4 and Rb2CuNbS4","European Journal of Solid State and Inorganic Chemistry","1997","34","","1187","1198","","","x-ray","0.71073","MoKα","","","0.0194","","","0.0399","","","","","","","1.005","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030903","5.8041","0.0005","14.486","0.002","25.418","0.002","90","","90","","90","","2137.1","0.4","","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- Cs2 Cu Nb Se4 -","- Cs2 Cu Nb Se4 -","- Cs16 Cu8 Nb8 Se32 -","8","0.25","","Rumpf, C.; Tillinski, R.; Nather, C.; Durichen, P.; Jeb, I.; Bensch, W.","Synthesis, crystal structures and optical properties of new quaternary chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4 and Rb2CuNbS4","European Journal of Solid State and Inorganic Chemistry","1997","34","","1187","1198","","","x-ray","0.71073","MoKα","","","0.0246","","","0.0675","","","","","","","0.973","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030904","17.906","0.005","17.906","0.005","19.458","0.005","90","","90","","120","","5403","3","","","293","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- H36 Mo6 Ni3 O42 Te -","- Mo6 Ni3 O42 Te -","- Mo36 Ni18 O252 Te6 -","6","0.166667","","Lorenzo-Luis, P. A.; Martin-Zarza, P.; Gili, P.; Saez Puche, R.; Jimenez-Jimenez, J.; Rodriguez-Castellon, E.; Ruiz-Perez, C.; Gonzalez-Platas, J.; Solans, X.","Synthesis and characterization of the molybdotellurates : [M(H2O)6]3.[TeMo6O24] : M = Ni(II) and Co(II)","European Journal of Solid State and Inorganic Chemistry","1997","34","","1259","1271","","","x-ray","0.71073","MoKα","","","0.0547","","","0.1417","","","","","","","1.394","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030905","17.902","0.004","17.902","0.004","19.686","0.003","90","","90","","120","","5463.8","1.9","","","293","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Co3 H36 Mo6 O42 Te -","- Co3 Mo6 O42 Te -","- Co18 Mo36 O252 Te6 -","6","0.166667","","Lorenzo-Luis, P. A.; Martin-Zarza, P.; Gili, P.; Saez Puche, R.; Jimenez-Jimenez, J.; Rodriguez-Castellon, E.; Ruiz-Perez, C.; Gonzalez-Platas, J.; Solans, X.","Synthesis and characterization of the molybdotellurates : [M(H2O)6]3.[TeMo6O24] : M = Ni(II) and Co(II)","European Journal of Solid State and Inorganic Chemistry","1997","34","","1259","1271","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0744","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063193","10.642","0.005","11.231","0.007","12.641","0.006","76.21","0.03","73.58","0.02","70.06","0.02","1345.4","1.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","2","(4,6 dimethyl-2-(dimethylaminomethyl)phenyl lithium)2 . et2O","","- C26 H42 Li2 N2 O -","- C26 H42 Li2 N2 O -","- C52 H84 Li4 N4 O2 -","2","1","","Johannes Belzner; Dirk Schär; Uwe Dehnert; Mathias Noltemeyer","Synthesis and Structure of Aryllithium Compounds Containing ortho-Directing (Dimethylamino)methyl and Trimethylhydrazino Substituents","Organometallics","1997","16","2","285","288","10.1021/om960858q","","","0.71073","MoKα","","0.0979","0.0646","","0.1981","0.1627","","","","1.021","1.041","1.041","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063194","12.106","0.002","13.654","0.003","17.189","0.003","90","","110.22","0.02","90","","2666.2","0.9","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","6","(2-(trimethylhydrazino)phenyl lithium)2 TMEDA","","- C24 H42 Li2 N6 -","- C24 H42 Li2 N6 -","- C96 H168 Li8 N24 -","4","0.5","","Johannes Belzner; Dirk Schär; Uwe Dehnert; Mathias Noltemeyer","Synthesis and Structure of Aryllithium Compounds Containing ortho-Directing (Dimethylamino)methyl and Trimethylhydrazino Substituents","Organometallics","1997","16","2","285","288","10.1021/om960858q","","","0.71073","MoKα","","0.0792","0.0619","","0.1794","0.1556","","","","1.034","1.059","1.059","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063223","8.519","0.0006","9.2733","0.0007","15.679","0.0007","90","","104.06","0.005","90","","1201.5","0.1","20","","20","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","?","- C40 H64 Cl4 Ir4 S4 -","- C40 H64 Cl4 Ir4 S4 -","","","","Zhen Tang; Yasuo Nomura; Youichi Ishii; Yasushi Mizobe; Masanobu Hidai","The Hydrosulfido-Bridged Diiridium and Dirhodium Complexes [Cp*MCl(μ2-SH)2MCp*Cl] (M =Ir, Rh; Cp* =μ5-C5Me5) as Versatile Precursors for Tri- and Tetranuclear Sulfido Clusters","Organometallics","1997","16","2","151","154","10.1021/om960769d","","","0.7107","MoKalpha","","","0.033","","","0.024","","","","","2.18","2.18","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063224","8.8238","0.0009","15.946","0.002","8.693","0.001","103.753","0.009","94.079","0.009","92","0.009","1183.3","0.2","20","","20","","","","","","","","","5","P -1","-P 1","2","","","","?","- C40 H64 Cl4 Rh4 S4 -","- C40 H64 Cl4 Rh4 S4 -","","","","Zhen Tang; Yasuo Nomura; Youichi Ishii; Yasushi Mizobe; Masanobu Hidai","The Hydrosulfido-Bridged Diiridium and Dirhodium Complexes [Cp*MCl(μ2-SH)2MCp*Cl] (M =Ir, Rh; Cp* =μ5-C5Me5) as Versatile Precursors for Tri- and Tetranuclear Sulfido Clusters","Organometallics","1997","16","2","151","154","10.1021/om960769d","","","0.7107","MoKalpha","","","0.047","","","0.038","","","","","2.66","2.66","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063225","10.737","0.003","11.115","0.003","32.89","0.004","89","","90.19","0.02","89","","3924","2","20","","20","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","?","- C144 H216 Cl8 Ir8 Rh8 S8 -","- C144 H216 Cl8 Ir8 Rh8 S8 -","","","","Zhen Tang; Yasuo Nomura; Youichi Ishii; Yasushi Mizobe; Masanobu Hidai","The Hydrosulfido-Bridged Diiridium and Dirhodium Complexes [Cp*MCl(μ2-SH)2MCp*Cl] (M =Ir, Rh; Cp* =μ5-C5Me5) as Versatile Precursors for Tri- and Tetranuclear Sulfido Clusters","Organometallics","1997","16","2","151","154","10.1021/om960769d","","","0.7107","MoKalpha","","","0.036","","","0.03","","","","","1.56","1.56","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063226","12.057","0.001","12.521","0.002","14.701","0.001","90","","93.219","0.007","90","","2215.8","0.3","20","","20","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","?","- C78 H94 Cl8 Ir4 P2 Pd2 S4 -","- C78 H94 Cl8 Ir4 P2 Pd2 S4 -","","","","Zhen Tang; Yasuo Nomura; Youichi Ishii; Yasushi Mizobe; Masanobu Hidai","The Hydrosulfido-Bridged Diiridium and Dirhodium Complexes [Cp*MCl(μ2-SH)2MCp*Cl] (M =Ir, Rh; Cp* =μ5-C5Me5) as Versatile Precursors for Tri- and Tetranuclear Sulfido Clusters","Organometallics","1997","16","2","151","154","10.1021/om960769d","","","0.7107","MoKalpha","","","0.038","","","0.028","","","","","2.1","2.1","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4078325","22.489","0.008","15.388","0.003","18.536","0.007","90","","132.53","0.02","90","","4727","3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,6-heptadiene(1,3-bis{bis(isopropyl)phosphine}propane)iron(0)","","- C22 H46 Fe P2 -","- C22 H43 Fe P2 -","- C176 H344 Fe8 P16 -","8","1","","Geier, S.; Goddard, R.; Holle, S.; Jolly, P. W.; Krüger, C.; Lutz, F.","Reaction of Unconjugated Dienes with [Fe(R2P(CH2)nPR2)] Species†","Organometallics","1997","16","8","1612","","10.1021/om9610004","","","0.71069","MoKα","","0.0558","0.0501","","0.1314","0.1251","","","","1.048","1.06","1.06","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078326","9.164","0.007","14.396","0.009","16.035","0.007","90","","92.75","0.04","90","","2113","2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,5-hexadienebis(triethylphosphine)iron(0)","","- C18 H40 Fe P2 -","- C18 H40 Fe P2 -","- C72 H160 Fe4 P8 -","4","1","","Geier, S.; Goddard, R.; Holle, S.; Jolly, P. W.; Krüger, C.; Lutz, F.","Reaction of Unconjugated Dienes with [Fe(R2P(CH2)nPR2)] Species†","Organometallics","1997","16","8","1612","","10.1021/om9610004","","","0.71069","MoKα","","0.0599","0.0451","","0.1416","0.1274","","","","1.02","1.024","1.024","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078336","13.677","0.002","9.723","0.0012","19.898","0.002","90","","108.908","0.009","90","","2503.3","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H20 B F10 N -","- C29 H20 B F10 N -","- C116 H80 B4 F40 N4 -","4","1","","Duchateau, Robbert; Lancaster, Simon J.; Thornton-Pett, Mark; Bochmann, Manfred","Synthesis of Cyclopentadienyl-, Indenyl-, and Fluorenylbis(pentafluorophenyl)boranes as Ligands in Titanium and Zirconium Half-Sandwich Complexes. The Crystal Structures of C13H9B(C6F5)2·t-BuNH2, C13H8SiMe3B(C6F5)2, and {η5-C5H4B(C6F5)2}TiCl3","Organometallics","1997","16","23","4995","","10.1021/om970433j","","","1.54184","CuKα","","0.0442","0.0434","","0.1164","0.1155","","","","1.135","1.143","1.143","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078337","7.8748","0.0008","8.6936","0.0009","20.896","0.002","96.057","0.01","98.008","0.01","98.856","0.009","1387.9","0.2","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H21 B F10 Si -","- C31.5 H19.5 B F10 Si -","- C63 H39 B2 F20 Si2 -","2","1","","Duchateau, Robbert; Lancaster, Simon J.; Thornton-Pett, Mark; Bochmann, Manfred","Synthesis of Cyclopentadienyl-, Indenyl-, and Fluorenylbis(pentafluorophenyl)boranes as Ligands in Titanium and Zirconium Half-Sandwich Complexes. The Crystal Structures of C13H9B(C6F5)2·t-BuNH2, C13H8SiMe3B(C6F5)2, and {η5-C5H4B(C6F5)2}TiCl3","Organometallics","1997","16","23","4995","","10.1021/om970433j","","","1.54184","CuKα","","0.06","0.0578","","0.1448","0.1425","","","","1.095","1.113","1.113","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078339","10.1617","0.0006","19.0088","0.0011","10.396","0.0008","90","","104.342","0.006","90","","1945.5","0.2","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H4 B Cl3 F10 Ti -","- C17 H4 B Cl3 F10 Ti -","- C68 H16 B4 Cl12 F40 Ti4 -","4","1","","Duchateau, Robbert; Lancaster, Simon J.; Thornton-Pett, Mark; Bochmann, Manfred","Synthesis of Cyclopentadienyl-, Indenyl-, and Fluorenylbis(pentafluorophenyl)boranes as Ligands in Titanium and Zirconium Half-Sandwich Complexes. The Crystal Structures of C13H9B(C6F5)2·t-BuNH2, C13H8SiMe3B(C6F5)2, and {η5-C5H4B(C6F5)2}TiCl3","Organometallics","1997","16","23","4995","","10.1021/om970433j","","","0.71073","MoKα","","0.0326","0.0258","","0.0668","0.0617","","","","1.09","1.091","1.091","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078340","12.072","0.001","14.47","0.002","14.999","0.002","104.11","0.01","99.663","0.008","93.773","0.009","2489.3","0.5","296","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H53 Cl3 F6 Fe2 O3 P2 Ru -","- C49 H53 Cl3 F6 Fe2 O3 P2 Ru -","- C98 H106 Cl6 F12 Fe4 O6 P4 Ru2 -","2","1","","Štěpnička, Petr; Gyepes, Róbert; Lavastre, Olivier; Dixneuf, Pierre H.","Ferrocene-Containing (η6-Hexamethylbenzene)ruthenium(II) Methoxycarbenes: Synthesis, Structure, and Electrochemistry","Organometallics","1997","16","23","5089","","10.1021/om970478k","","","0.71073","MoKα","","0.1749","0.0693","","0.208","0.163","","","","1.034","1.143","1.143","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078341","10.411","0.002","12.931","0.003","34.344","0.007","90","0","98.72","0.02","90","0","4570.1","1.7","25","","143","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 O4 Zr -","- C59 H31 O4 Zr -","- C236 H124 O16 Zr4 -","4","1","","Caselli, Alessandro; Giannini, Luca; Solari, Euro; Floriani, Carlo; Re, Nazzareno; Chiesi-Villa, Angiola; Rizzoli, Corrado","Zirconium−Butadiene Bonded over a Planar Set of Oxygens Derived from Calix[4]arene and Its Behavior as a Source of Zirconium(II)","Organometallics","1997","16","25","5457","","10.1021/om970624m","","","0.71073","MoKα","","0.2104","0.0792","","0.3407","0.215","","","","1.045","1.174","1.174","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078342","14.684","0.002","17.992","0.002","13.033","0.002","109.64","0.01","103.51","0.01","86.55","0.01","3152.6","0.8","25","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C71 H79 O4 Zr -","- C85 H41 O4 Zr -","- C170 H82 O8 Zr2 -","2","1","","Caselli, Alessandro; Giannini, Luca; Solari, Euro; Floriani, Carlo; Re, Nazzareno; Chiesi-Villa, Angiola; Rizzoli, Corrado","Zirconium−Butadiene Bonded over a Planar Set of Oxygens Derived from Calix[4]arene and Its Behavior as a Source of Zirconium(II)","Organometallics","1997","16","25","5457","","10.1021/om970624m","","","1.54178","CuKα","","0.2206","0.0803","","0.249","0.2123","","","","1.098","1.228","1.228","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078343","28.846","0.005","17.387","0.003","30.241","0.005","90","0","90.19","0.03","90","0","15167","4","25","","143","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C91.5 H104 O4 Zr -","- C98 H92 O4 Zr -","- C784 H736 O32 Zr8 -","8","1","","Caselli, Alessandro; Giannini, Luca; Solari, Euro; Floriani, Carlo; Re, Nazzareno; Chiesi-Villa, Angiola; Rizzoli, Corrado","Zirconium−Butadiene Bonded over a Planar Set of Oxygens Derived from Calix[4]arene and Its Behavior as a Source of Zirconium(II)","Organometallics","1997","16","25","5457","","10.1021/om970624m","","","1.54178","CuKα","","0.1255","0.0672","","0.2318","0.1971","","","","1.069","1.145","1.145","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078344","13.58","0.002","22.24","0.003","37.707","0.005","90","0","98.48","0.02","90","0","11264","3","25","","143","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C132 H158 N2 O8 Zr2 -","- C150 H124 N2 O8 Zr2 -","- C600 H496 N8 O32 Zr8 -","4","0.5","","Caselli, Alessandro; Giannini, Luca; Solari, Euro; Floriani, Carlo; Re, Nazzareno; Chiesi-Villa, Angiola; Rizzoli, Corrado","Zirconium−Butadiene Bonded over a Planar Set of Oxygens Derived from Calix[4]arene and Its Behavior as a Source of Zirconium(II)","Organometallics","1997","16","25","5457","","10.1021/om970624m","","","1.54178","CuKα","","0.1324","0.088","","0.5534","0.248","","","","1.067","1.119","1.119","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078345","12.375","0.002","40.636","0.005","21.083","0.003","90","0","103.91","0.02","90","0","10291","3","25","","143","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C111 H152 O10 Zr2 -","- C118 H98 O10 Zr2 -","- C472 H392 O40 Zr8 -","4","0.5","","Caselli, Alessandro; Giannini, Luca; Solari, Euro; Floriani, Carlo; Re, Nazzareno; Chiesi-Villa, Angiola; Rizzoli, Corrado","Zirconium−Butadiene Bonded over a Planar Set of Oxygens Derived from Calix[4]arene and Its Behavior as a Source of Zirconium(II)","Organometallics","1997","16","25","5457","","10.1021/om970624m","","","1.54178","CuKα","","0.2196","0.0661","","0.198","0.1592","","","","1.016","1.167","1.167","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078346","15.559","0.002","16.936","0.002","23.58","0.004","90","0","90.15","0.01","90","0","6213.5","1.5","25","","143","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C71 H87 N O4 Zr -","- C87 H55 N O4 Zr -","- C348 H220 N4 O16 Zr4 -","4","1","","Caselli, Alessandro; Giannini, Luca; Solari, Euro; Floriani, Carlo; Re, Nazzareno; Chiesi-Villa, Angiola; Rizzoli, Corrado","Zirconium−Butadiene Bonded over a Planar Set of Oxygens Derived from Calix[4]arene and Its Behavior as a Source of Zirconium(II)","Organometallics","1997","16","25","5457","","10.1021/om970624m","","","1.54178","CuKα","","0.3015","0.0814","","0.2582","0.1971","","","","1.012","1.238","1.238","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078349","11.1037","0.0002","11.8678","0.0002","19.2126","0.0003","87.28","0.002","86.519","0.002","69.337","0.002","2363.62","0.08","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H76 F Li N2 Si -","- C48 H76 F Li N2 Si -","- C96 H152 F2 Li2 N4 Si2 -","2","1","","Trommer, Martin; Miracle, Gary E.; Eichler, Barrett E.; Powell, Douglas R.; West, Robert","Synthesis and Reactivity of Several Stable 1-Silaallenes","Organometallics","1997","16","26","5737","","10.1021/om970246l","","","0.71073","MoKα","","0.0514","0.0381","","0.1029","0.0956","","","","1.02","1.058","1.058","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078350","19.1204","0.0005","19.6814","0.0006","10.2646","0.0003","90","","95.171","0.002","90","","3847.01","0.19","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H60 Si -","- C42 H60 Si -","- C168 H240 Si4 -","4","1","","Trommer, Martin; Miracle, Gary E.; Eichler, Barrett E.; Powell, Douglas R.; West, Robert","Synthesis and Reactivity of Several Stable 1-Silaallenes","Organometallics","1997","16","26","5737","","10.1021/om970246l","","","0.71073","MoKα","","0.0907","0.0617","","0.1739","0.154","","","","1.038","1.093","1.093","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078351","13.982","0.004","16.842","0.009","26.031","0.007","90","","90","","90","","6130","4","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C34 H52 Si -","- C34 H52 Si -","- C272 H416 Si8 -","8","1","","Trommer, Martin; Miracle, Gary E.; Eichler, Barrett E.; Powell, Douglas R.; West, Robert","Synthesis and Reactivity of Several Stable 1-Silaallenes","Organometallics","1997","16","26","5737","","10.1021/om970246l","","","1.54178","CuKα","","0.1603","0.1076","","0.3715","0.2998","","","","1.294","1.337","1.337","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078352","18.1971","0.0005","15.4724","0.0004","16.8628","0.0005","90","","96.45","0.002","90","","4717.7","0.2","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H70 O Si -","- C55 H70 O Si -","- C220 H280 O4 Si4 -","4","1","","Trommer, Martin; Miracle, Gary E.; Eichler, Barrett E.; Powell, Douglas R.; West, Robert","Synthesis and Reactivity of Several Stable 1-Silaallenes","Organometallics","1997","16","26","5737","","10.1021/om970246l","","","0.71073","MoKα","","0.0557","0.039","","0.105","0.0958","","","","1.033","1.071","1.071","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078353","12.97","0.004","13.503","0.002","14.567","0.005","90","","90","","90","","2551.2","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H38 O8 V2 -","- C20 H38 O8 V2 -","- C80 H152 O32 V8 -","4","1","","Lütjens, Henning; Wahl, Günter; Möller, Frank; Knochel, Paul; Sundermeyer, Jörg","New ChiralC3-Symmetric Triols as Ligands for Vanadium and Titanium Complexes†","Organometallics","1997","16","26","5869","","10.1021/om970523o","","","0.7093","MoKα","","0.0948","0.0448","","0.1129","0.0862","","","","1.155","1.052","1.052","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078354","10.029","0.003","11.577","0.005","11.838","0.004","77.34","","75.98","0.03","75.61","","1273.1","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23.5 H34 Cl2 Sn2 -","- C23.5 H30 Cl2 Sn2 -","- C47 H60 Cl4 Sn4 -","2","1","","Constantine, Steven P.; De Lima, Geraldo M.; Hitchcock, Peter B.; Keates, Julian M.; Lawless, Gerard A.; Marziano, Ivan","Synthesis and Characterization of Sn(η5-C5Me5)Cl and Sn{η5-C5Me4(SiMe2But)}Cl","Organometallics","1997","16","4","793","","10.1021/om9608059","","","0.71073","MoKα","","0.0357","0.0285","","0.0722","0.0679","","","","0.967","0.981","0.981","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078355","9.783","0.003","19.22","0.006","24.25","0.08","90","","98.5","0.2","90","","4510","15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Cl2 P3 Rh Sn -","- C44 H54 Cl2 P3 Rh Sn -","- C176 H216 Cl8 P12 Rh4 Sn4 -","4","1","","Werner, Helmut; Gevert, Olaf; Haquette, Pierre","Five- and Six-Coordinate Bis(alkynyl)rhodium(III) Complexes Containing a Rh−SnPh3Bond","Organometallics","1997","16","4","803","","10.1021/om960970o","","","0.7093","MoKα","","0.0349","0.029","","0.0788","0.0725","","","","1.078","1.07","1.07","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078356","12.719","0.009","12.474","0.004","24.5","0.04","90","","93.05","0.04","90","","3882","7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 I P2 Rh -","- C34 H52 I P2 Rh -","- C136 H208 I4 P8 Rh4 -","4","1","","Werner, Helmut; Gevert, Olaf; Haquette, Pierre","Five- and Six-Coordinate Bis(alkynyl)rhodium(III) Complexes Containing a Rh−SnPh3Bond","Organometallics","1997","16","4","803","","10.1021/om960970o","","","0.7093","MoKα","","0.0428","0.0293","","0.071","0.0631","","","","1.057","1.06","1.06","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078367","11.138","0.01","11.151","0.011","22.143","0.025","90.56","0.09","100.55","0.08","112.24","0.08","2493","5","153","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H72 Li4 N12 -","- C48 H72 Li4 N12 -","- C96 H144 Li8 N24 -","2","1","","Davies, Robert P.; Raithby, Paul R.; Shields, Gregory P.; Snaith, Ronald; Wheatley, Andrew E. H.","Inhibition of the Cyclotrimerization of Benzonitrile and the Likely Mechanism of the Cyclotrimerization Process: Structure of a New Tetrameric α-Amino Lithium Imide DemonstratingIntramolecular Stabilization of the Metal Centers","Organometallics","1997","16","10","2223","","10.1021/om961082w","","","0.71073","MoKα","","0.0914","0.0623","","0.175","0.15","","","","1.035","1.066","1.066","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078368","12.067","0.002","12.359","0.002","16.76","0.002","90","","90","","90","","2499.5","0.7","298.2","","298.2","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Ru -","- C16 H16 Ru -","- C128 H128 Ru8 -","8","1","","Bennett, Martin A.; Neumann, Horst; Willis, Anthony C.; Ballantini, Valter; Pertici, Paolo; Mann, Brian E.","Synthesis, Structure, and Fluxional Behavior of Bis(cyclooctatetraene)ruthenium(0) and Its Derivatives","Organometallics","1997","16","13","2868","","10.1021/om970065j","","","0.7107","MoKα","","0.1408","0.0506","","0.0724","0.0641","","","","1.928","2.481","2.481","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078369","11.57","0.002","11.347","0.002","13.199","0.001","90","","100.669","0.01","90","","1702.9","0.4","296.2","","296.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 P Ru -","- C19 H25 P Ru -","- C76 H100 P4 Ru4 -","4","1","","Bennett, Martin A.; Neumann, Horst; Willis, Anthony C.; Ballantini, Valter; Pertici, Paolo; Mann, Brian E.","Synthesis, Structure, and Fluxional Behavior of Bis(cyclooctatetraene)ruthenium(0) and Its Derivatives","Organometallics","1997","16","13","2868","","10.1021/om970065j","","","0.7107","MoKalpha","","","0.0203","","","0.0245","","","","","1.269","1.269","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078370","30.346","0.005","47.526","0.009","12.009","0.002","90","","90","","90","","17320","5","173","2","173","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C36 H44 Au3 F15 N2 O0.5 S -","- C36 H40 Au3 F15 N2 O0.5 S -","- C576 H640 Au48 F240 N32 O8 S16 -","16","1","","Vicente, José; Chicote, María-Teresa; González-Herrero, Pablo; Grünwald, Claus; Jones, Peter G.","Complexes with S-Donor Ligands. 5.†Syntheses of the First (Hydrosulfido)- and Anionic Sulfidoorganogold(I) Complexes. Crystal and Molecular Structure of (Et4N)2[{Au(C6F5)}3(μ3-S)]·0.5MeC(O)Et","Organometallics","1997","16","15","3381","","10.1021/om970106b","","","0.71073","MoKα","","0.0662","0.0411","","0.0806","0.0751","","","","0.858","0.946","0.946","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078371","9.101","0.002","16.847","0.003","20.226","0.003","90","","93.74","0.02","90","","3094.5","1","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H53 Cl O Os P2 Si -","- C23 H53 Cl O Os P2 Si -","- C92 H212 Cl4 O4 Os4 P8 Si4 -","4","1","","Werner, Helmut; Stüer, Wolfram; Laubender, Matthias; Lehmann, Christopher; Herbst-Irmer, Regine","Stable Osmium Hydrido−Carbene Complexes with CH2and Secondary Carbenes CHR as Ligands","Organometallics","1997","16","11","2236","","10.1021/om970139r","","","0.71073","MoKα","","0.0456","0.0283","","0.0592","0.0577","","","","0.927","1.078","1.078","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078372","11.426","0.004","16.734","0.002","32.119","0.012","90","","99.96","0.02","90","","6049","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H48 Cl2 O Os P2 -","- C26 H48 Cl2 O Os P2 -","- C208 H384 Cl16 O8 Os8 P16 -","8","2","","Werner, Helmut; Stüer, Wolfram; Laubender, Matthias; Lehmann, Christopher; Herbst-Irmer, Regine","Stable Osmium Hydrido−Carbene Complexes with CH2and Secondary Carbenes CHR as Ligands","Organometallics","1997","16","11","2236","","10.1021/om970139r","","","0.71073","MoKα","","0.1298","0.0602","","0.1425","0.1022","","","","1.076","1.117","1.117","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078373","19.817","0.003","9.4203","0.0012","19.888","0.003","90","","90","","90","","3712.7","0.9","193","2","193","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H28 P Rh Se -","- C17 H28 P Rh Se -","- C136 H224 P8 Rh8 Se8 -","8","2","","Vicic, David A.; Myers, Andrew W.; Jones, William D.","Carbon−Selenium Bond Cleavage by a Rhodium Complex","Organometallics","1997","16","12","2751","","10.1021/om970209u","","","0.71073","MoKα","","0.0698","0.0509","","0.0708","0.0661","","","","1.116","1.167","1.167","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078374","12.334","0.005","14.624","0.007","10.101","0.003","103","0.03","102.9","0.02","86.63","0.04","1730.4","1.2","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 N3 O6 Sn3 -","- C30 H38 N3 O6 Sn3 -","- C60 H76 N6 O12 Sn6 -","2","1","","Willem, Rudolph; Bouhdid, Abdeslam; Meddour, Abdelkrim; Camacho-Camacho, Carlos; Mercier, Frédéric; Gielen, Marcel; Biesemans, Monique; Ribot, François; Sanchez, Clément; Tiekink, Edward R. T.","X-ray Diffraction and 2D Gradient-Assisted1H−119Sn HMQC NMR Studies of Structures Obtained from Nucleophilic Substitutions on Dimethyltin(IV) Salicylaldoximates","Organometallics","1997","16","20","4377","","10.1021/om970378e","","","0.7107","MoKalpha","","","0.0389","","","0.0391","","","","","1.66","1.66","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078375","11.744","0.005","15.768","0.005","10.2","0.004","105.1","0.03","112.88","0.03","87.3","0.03","1677","1.2","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H39 N2 O6 Sn3 -","- C30 H38 N2 O6 Sn3 -","- C60 H76 N4 O12 Sn6 -","2","1","","Willem, Rudolph; Bouhdid, Abdeslam; Meddour, Abdelkrim; Camacho-Camacho, Carlos; Mercier, Frédéric; Gielen, Marcel; Biesemans, Monique; Ribot, François; Sanchez, Clément; Tiekink, Edward R. T.","X-ray Diffraction and 2D Gradient-Assisted1H−119Sn HMQC NMR Studies of Structures Obtained from Nucleophilic Substitutions on Dimethyltin(IV) Salicylaldoximates","Organometallics","1997","16","20","4377","","10.1021/om970378e","","","0.7107","MoKalpha","","","0.0367","","","0.0442","","","","","2.007","2.007","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078376","11.765","0.009","15.76","0.01","10.205","0.008","105.09","0.07","113.43","0.06","87.26","0.07","1673","2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H36 Br N2 O6 Sn3 -","- C29 H36 Br N2 O6 Sn3 -","- C58 H72 Br2 N4 O12 Sn6 -","2","1","","Willem, Rudolph; Bouhdid, Abdeslam; Meddour, Abdelkrim; Camacho-Camacho, Carlos; Mercier, Frédéric; Gielen, Marcel; Biesemans, Monique; Ribot, François; Sanchez, Clément; Tiekink, Edward R. T.","X-ray Diffraction and 2D Gradient-Assisted1H−119Sn HMQC NMR Studies of Structures Obtained from Nucleophilic Substitutions on Dimethyltin(IV) Salicylaldoximates","Organometallics","1997","16","20","4377","","10.1021/om970378e","","","0.7107","MoKalpha","","","0.0377","","","0.0335","","","","","1.631","1.631","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078377","19.7409","0.0006","9.4823","0.0003","19.6504","0.0006","90","","90","","90","","3678.3","0.2","223","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H28 P Rh S -","- C17 H28 P Rh S -","- C136 H224 P8 Rh8 S8 -","8","2","","Blonski, Christine; Myers, Andrew W.; Palmer, Michael; Harris, Suzanne; Jones, William D.","Structure of Metallathiacycles: Planar vs Nonplanar Geometries. A Theoretical and Experimental Investigation","Organometallics","1997","16","17","3819","","10.1021/om970416u","","","0.71073","MoKα","","0.03","0.026","","0.0599","0.0571","","","","1.152","1.141","1.141","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078378","17.7781","0.0003","8.7959","0.0001","27.9997","0.0004","90","","105.496","0.001","90","","4219.28","0.11","223","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 P Rh S -","- C21 H30 P Rh S -","- C168 H240 P8 Rh8 S8 -","8","2","","Blonski, Christine; Myers, Andrew W.; Palmer, Michael; Harris, Suzanne; Jones, William D.","Structure of Metallathiacycles: Planar vs Nonplanar Geometries. A Theoretical and Experimental Investigation","Organometallics","1997","16","17","3819","","10.1021/om970416u","","","0.71073","MoKα","","0.0928","0.0604","","0.1572","0.1325","","","","1.149","1.226","1.226","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078379","9.7151","0.0002","14.3632","0.0001","16.5451","0.0003","90","","90","","90","","2308.7","0.07","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H32 P Rh S -","- C25 H32 P Rh S -","- C100 H128 P4 Rh4 S4 -","4","1","","Blonski, Christine; Myers, Andrew W.; Palmer, Michael; Harris, Suzanne; Jones, William D.","Structure of Metallathiacycles: Planar vs Nonplanar Geometries. A Theoretical and Experimental Investigation","Organometallics","1997","16","17","3819","","10.1021/om970416u","","","0.71073","MoKα","","0.0611","0.0417","","0.0768","0.0693","","","","1.099","1.115","1.115","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078380","10.359","0.003","11.293","0.003","12.924","0.003","107.29","0.02","103.18","0.02","102.08","0.02","1341.7","0.7","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H28 F3 N3 O7 Pd S -","- C25 H28 F3 N3 O7 Pd S -","- C50 H56 F6 N6 O14 Pd2 S2 -","2","1","","Vicente, José; Abad, José-Antonio; Shaw, Kenneth F.; Gil-Rubio, Juan; Ramírez de Arellano, M. Carmen; Jones, Peter G.","Palladium-Assisted Formation of Carbon−Carbon Bonds. 7.1Reactions of (2,3,4-Trimethoxy-6-X-phenyl)palladium Complexes with Alkynes (X = C(O)NHBut) and Isocyanides (X = C(O)NHBut, C(O)Me, CHO): Crystal and Molecular Structures of [Pd{C6H{C(O)NHBut}-6-(OMe)3-2,3,4}(bpy)](CF3SO3), [Pd{C(CO2Me)C(CO2Me)C6H{C(O)NHBut}-6-(OMe)3-2,3,4)}- Cl(PPh3)], [Pd{C(NXy)C6H{C(O)NHBut}-6-(OMe)3-2,3,4}- (bpy)](CF3SO3), and the Ketenimine 2-(2,6-Dimethylphenyl)-1-(((2,6-dimethylphenyl)imino)- methylene)-5,6,7-trimethoxy-3-oxoisoindoline","Organometallics","1997","16","21","4557","","10.1021/om970426v","","","0.71073","MoKα","","0.0449","0.035","","0.0792","0.0731","","","","1.083","1.077","1.077","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078381","9.345","0.003","11.619","0.003","19.076","0.005","78.47","0.02","79.19","0.02","66.47","0.02","1847.3","1","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H43 Cl N O9 P Pd -","- C38 H41 Cl N O9 P Pd -","- C76 H82 Cl2 N2 O18 P2 Pd2 -","2","1","","Vicente, José; Abad, José-Antonio; Shaw, Kenneth F.; Gil-Rubio, Juan; Ramírez de Arellano, M. Carmen; Jones, Peter G.","Palladium-Assisted Formation of Carbon−Carbon Bonds. 7.1Reactions of (2,3,4-Trimethoxy-6-X-phenyl)palladium Complexes with Alkynes (X = C(O)NHBut) and Isocyanides (X = C(O)NHBut, C(O)Me, CHO): Crystal and Molecular Structures of [Pd{C6H{C(O)NHBut}-6-(OMe)3-2,3,4}(bpy)](CF3SO3), [Pd{C(CO2Me)C(CO2Me)C6H{C(O)NHBut}-6-(OMe)3-2,3,4)}- Cl(PPh3)], [Pd{C(NXy)C6H{C(O)NHBut}-6-(OMe)3-2,3,4}- (bpy)](CF3SO3), and the Ketenimine 2-(2,6-Dimethylphenyl)-1-(((2,6-dimethylphenyl)imino)- methylene)-5,6,7-trimethoxy-3-oxoisoindoline","Organometallics","1997","16","21","4557","","10.1021/om970426v","","","0.71073","MoKα","","0.0537","0.0475","","0.1187","0.1078","","","","1.186","1.198","1.198","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078382","13.241","0.002","18.728","0.002","23.258","0.003","72.406","0.008","89.433","0.008","88.567","0.01","5495.9","1.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H39 F3 N4 O7.33 Pd S -","- C35 H37.6667 F3 N4 O7.33333 Pd S -","- C210 H226 F18 N24 O44 Pd6 S6 -","6","3","","Vicente, José; Abad, José-Antonio; Shaw, Kenneth F.; Gil-Rubio, Juan; Ramírez de Arellano, M. Carmen; Jones, Peter G.","Palladium-Assisted Formation of Carbon−Carbon Bonds. 7.1Reactions of (2,3,4-Trimethoxy-6-X-phenyl)palladium Complexes with Alkynes (X = C(O)NHBut) and Isocyanides (X = C(O)NHBut, C(O)Me, CHO): Crystal and Molecular Structures of [Pd{C6H{C(O)NHBut}-6-(OMe)3-2,3,4}(bpy)](CF3SO3), [Pd{C(CO2Me)C(CO2Me)C6H{C(O)NHBut}-6-(OMe)3-2,3,4)}- Cl(PPh3)], [Pd{C(NXy)C6H{C(O)NHBut}-6-(OMe)3-2,3,4}- (bpy)](CF3SO3), and the Ketenimine 2-(2,6-Dimethylphenyl)-1-(((2,6-dimethylphenyl)imino)- methylene)-5,6,7-trimethoxy-3-oxoisoindoline","Organometallics","1997","16","21","4557","","10.1021/om970426v","","","0.71073","MoKα","","0.1049","0.0464","","0.094","0.0822","","","","0.81","1.008","1.008","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078383","8.003","0.002","11.451","0.002","13.796","0.002","98.69","0.02","103.36","0.01","95.77","0.02","1203.8","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C56 H56 N4 O8 -","2","1","","Vicente, José; Abad, José-Antonio; Shaw, Kenneth F.; Gil-Rubio, Juan; Ramírez de Arellano, M. Carmen; Jones, Peter G.","Palladium-Assisted Formation of Carbon−Carbon Bonds. 7.1Reactions of (2,3,4-Trimethoxy-6-X-phenyl)palladium Complexes with Alkynes (X = C(O)NHBut) and Isocyanides (X = C(O)NHBut, C(O)Me, CHO): Crystal and Molecular Structures of [Pd{C6H{C(O)NHBut}-6-(OMe)3-2,3,4}(bpy)](CF3SO3), [Pd{C(CO2Me)C(CO2Me)C6H{C(O)NHBut}-6-(OMe)3-2,3,4)}- Cl(PPh3)], [Pd{C(NXy)C6H{C(O)NHBut}-6-(OMe)3-2,3,4}- (bpy)](CF3SO3), and the Ketenimine 2-(2,6-Dimethylphenyl)-1-(((2,6-dimethylphenyl)imino)- methylene)-5,6,7-trimethoxy-3-oxoisoindoline","Organometallics","1997","16","21","4557","","10.1021/om970426v","","","0.71073","MoKα","","0.0675","0.0429","","0.1206","0.1117","","","","0.998","1.158","1.158","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078384","11.4289","0.0014","11.9064","0.0014","18.727","0.002","73.275","0.01","73.57","0.01","69.161","0.01","2234","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.5 H47 Cl O6.5 P2 Pd -","- C48.5 H45 Cl O6.5 P2 Pd -","- C97 H90 Cl2 O13 P4 Pd2 -","2","1","","Vicente, José; Abad, José-Antonio; Rink, Barbara; Hernández, Francisco-Santos; Ramírez de Arellano, M. Carmen","Synthesis of Mercury(II) and Palladium(II) Organometallic Derivatives of Terephthaldehyde by Metalation, Transmetalation, Oxidation, and Condensation Reactions. X-ray Crystal Structures oftrans-[PdCl{C6H3(CO2H)2-2,5}(PPh3)2]·Me2CO·2MeOH,trans-[PdCl{C6H3(CHO)-2-(CO2H)-5}(PPh3)2]·2CH2Cl2, and [Pd{C6H3(CHNC6H4NH2-4)-2-(CHO)-5}(N,N,N‘,N‘-Tetramethylethylenediamine)]CF3SO3. Molecular Assemblies through [Pd]−Cl···HO2C−Aryl and [Pd]−Cl···HOMe HO(O)C−Aryl Hydrogen Bonds†","Organometallics","1997","16","24","5269","","10.1021/om970583u","","","0.71073","MoKα","","0.0459","0.037","","0.1065","0.0991","","","","1.05","1.068","1.068","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078385","14.6048","0.0012","17.1715","0.0012","17.156","0.002","90","","90","","90","","4302.5","0.7","173","2","173","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C46 H39 Cl5 O3 P2 Pd -","- C46 H39 Cl5 O3 P2 Pd -","- C184 H156 Cl20 O12 P8 Pd4 -","4","0.5","","Vicente, José; Abad, José-Antonio; Rink, Barbara; Hernández, Francisco-Santos; Ramírez de Arellano, M. Carmen","Synthesis of Mercury(II) and Palladium(II) Organometallic Derivatives of Terephthaldehyde by Metalation, Transmetalation, Oxidation, and Condensation Reactions. X-ray Crystal Structures oftrans-[PdCl{C6H3(CO2H)2-2,5}(PPh3)2]·Me2CO·2MeOH,trans-[PdCl{C6H3(CHO)-2-(CO2H)-5}(PPh3)2]·2CH2Cl2, and [Pd{C6H3(CHNC6H4NH2-4)-2-(CHO)-5}(N,N,N‘,N‘-Tetramethylethylenediamine)]CF3SO3. Molecular Assemblies through [Pd]−Cl···HO2C−Aryl and [Pd]−Cl···HOMe HO(O)C−Aryl Hydrogen Bonds†","Organometallics","1997","16","24","5269","","10.1021/om970583u","","","0.71073","MoKα","","0.0216","0.0198","","0.0474","0.0471","","","","1.061","1.081","1.081","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078386","10.786","0.002","10.998","0.002","11.14","0.002","74.991","0.012","75.398","0.01","82.864","0.014","1232.7","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H27 F3 N4 O4 Pd S -","- C21 H25 F3 N4 O4 Pd S -","- C42 H50 F6 N8 O8 Pd2 S2 -","2","1","","Vicente, José; Abad, José-Antonio; Rink, Barbara; Hernández, Francisco-Santos; Ramírez de Arellano, M. Carmen","Synthesis of Mercury(II) and Palladium(II) Organometallic Derivatives of Terephthaldehyde by Metalation, Transmetalation, Oxidation, and Condensation Reactions. X-ray Crystal Structures oftrans-[PdCl{C6H3(CO2H)2-2,5}(PPh3)2]·Me2CO·2MeOH,trans-[PdCl{C6H3(CHO)-2-(CO2H)-5}(PPh3)2]·2CH2Cl2, and [Pd{C6H3(CHNC6H4NH2-4)-2-(CHO)-5}(N,N,N‘,N‘-Tetramethylethylenediamine)]CF3SO3. Molecular Assemblies through [Pd]−Cl···HO2C−Aryl and [Pd]−Cl···HOMe HO(O)C−Aryl Hydrogen Bonds†","Organometallics","1997","16","24","5269","","10.1021/om970583u","","","0.71073","MoKα","","0.0537","0.0362","","0.0782","0.0742","","","","0.945","1.033","1.033","","","","","has coordinates,has disorder","178672","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",""
"4078388","12.771","0.006","14.478","0.006","8.755","0.004","90","","90","","90","","1618.8","1.3","293","2","293","2","","","","","","","","5","P b m a","-P 2a 2ab","57","","","","- C6 H10 O1.5 Si W0.5 -","- C6 H10 O1.5 Si W0.5 -","- C48 H80 O12 Si8 W4 -","8","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","","0.0852","0.0617","","0.1494","0.138","","","","0.96","1.035","1.035","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116926","10.638","0.002","17.011","0.003","22.978","0.004","90","","97.92","0.014","90","","4118.5","1.3","247","2","247","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 B2 F8 Fe O2 P2 Pd -","- C38 H60 B2 F8 Fe O2 P2 Pd -","- C152 H240 B8 F32 Fe4 O8 P8 Pd4 -","4","1","","Alan M. Allgeier; Caroline S. Slone; Chad A. Mirkin; Louise M. Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold","Electrochemically Controlling Ligand Binding Affinity for Transition Metals via RHLs: The Importance of Electrostatic Effects","Journal of the American Chemical Society","1997","119","","550","559","10.1021/ja963008a","","","0.71073","MoKα","","0.09","0.0465","","0.1001","0.0899","","","","0.848","1.01","1.01","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116927","12.252","0.002","20.884","0.004","17.14","0.003","90","","110.03","0.01","90","","4120.4","1.3","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 B F4 Fe O0.5 P2 Rh S2 -","- C40 H40 B F4 Fe O0.5 P2 Rh S2 -","- C160 H160 B4 F16 Fe4 O2 P8 Rh4 S8 -","4","1","","Alan M. Allgeier; Caroline S. Slone; Chad A. Mirkin; Louise M. Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold","Electrochemically Controlling Ligand Binding Affinity for Transition Metals via RHLs: The Importance of Electrostatic Effects","Journal of the American Chemical Society","1997","119","","550","559","10.1021/ja963008a","","","0.71073","MoKα","","0.1133","0.0635","","0.2006","0.1532","","","","1.04","1.112","1.112","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116928","14.653","0.002","20.987","0.002","15.441","0.002","90","","103.41","0.01","90","","4619","1","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C41.8 H38 B2 Cl1.2 F8 Fe O2 P2 Pd -","- C41.8 H37.2 B2 Cl1.2 F8 Fe O2 P2 Pd -","- C167.2 H148.8 B8 Cl4.8 F32 Fe4 O8 P8 Pd4 -","4","1","","Alan M. Allgeier; Caroline S. Slone; Chad A. Mirkin; Louise M. Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold","Electrochemically Controlling Ligand Binding Affinity for Transition Metals via RHLs: The Importance of Electrostatic Effects","Journal of the American Chemical Society","1997","119","","550","559","10.1021/ja963008a","","","0.71073","MoKα","","0.1401","0.0723","","0.2022","0.1642","","","","1.098","1.506","1.506","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116929","9.838","0.002","17.799","0.006","21.939","0.004","90","","90","","90","","3841.7","1.7","426.4","","426.4","","","","","","","","synthesized","8","P 21 21 21","P 2ac 2ab","19","","","","- C H44 B3 F4 Fe O3 P2 Rh4 -","- C42 H44 B F4 Fe O3 P2 Rh -","- C168 H176 B4 F16 Fe4 O12 P8 Rh4 -","4","1","","Alan M. Allgeier; Caroline S. Slone; Chad A. Mirkin; Louise M. Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold","Electrochemically Controlling Ligand Binding Affinity for Transition Metals via RHLs: The Importance of Electrostatic Effects","Journal of the American Chemical Society","1997","119","","550","559","10.1021/ja963008a","","","0.7107","MoKalpha","","","0.0476","","","0.0444","","","","","1.27","1.27","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116930","6.7855","0.0005","10.5456","0.0004","23.4215","0.0013","90","","90","","90","","1675.98","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl2 N O2 S -","- C17 H17 Cl2 N O2 S -","- C68 H68 Cl8 N4 O8 S4 -","4","1","","Daniël S. van Es; Arne Egberts; Stephen Nkrumah; Hans de Nijs; Willem H. de Wolf; Friedrich Bickelhaupt; Nora Veldman; Anthony L. Spek","8,11-Dichloro-N-tosyl-3-aza[5]metacyclophane: A Highly Strained Aromatic System","Journal of the American Chemical Society","1997","119","","615","616","10.1021/ja9634987","","","0.71073","MoKa","","0.0722","0.0478","","0.0944","0.087","","","","1.028","1.083","1.083","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116931","9.1203","0.0006","9.1203","0.0006","13.0859","0.0009","90","","90","","90","","1088.48","0.13","293","2","293","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C13 H32 Cl2 Cu N4 O8 -","- C13 H30 Cl2 Cu N4 O8 -","- C26 H60 Cl4 Cu2 N8 O16 -","2","0.25","","Paul V. Bernhardt","On the Structure, Electrochemistry, and Spectroscopy of the (N,N'-Bis(2'-(dimethylamino)ethyl)-N,N'-dimethylpropane-1,3- diamine)copper(II) Ion","Journal of the American Chemical Society","1997","119","","771","774","10.1021/ja961764a","","","0.71073","MoKα","","0.1121","0.0632","","0.2162","0.1735","","","","1.072","1.134","1.134","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116932","14.766","0.001","16.287","0.002","25.284","0.002","85.7","0.01","86.19","0.01","69.34","0.01","5668.4","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H86 N8 O42 Rh28 -","- C76 H86 N8 O42 Rh28 -","- C152 H172 N16 O84 Rh56 -","2","1","","Alessandro Fumagalli; Secondo Martinengo; Giovanni Bernasconi; Gianfranco Ciani; Davide M. Proserpio; Angelo Sironi","[Rh28N4(CO)41Hx]4-, a Massive Carbonyl Cluster with Four Interstitial Nitrogen Atoms","Journal of the American Chemical Society","1997","119","","1450","1451","10.1021/ja961403v","","","0.71073","MoKα","","","0.0286","","","0.0685","","","","","1.091","1.091","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116933","6.095","0.001","7.659","0.002","10.042","0.002","101.89","0.03","93.06","0.03","94.15","0.03","456.39","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","","(2R,3R)-O-((E)-2-((1R,2R)-2-Hydroxy-2-methylcyclopentyl)vinyl)- N,N,N',N'-tetramethylsuccinamide","","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","1","1","","Gary A. Molander; J. Christopher McWilliams; Bruce C. Noll","Remote Stereochemical Control of Both Reacting Centers in Ketyl-Olefin Radical Cyclizations: Involvement of a Samarium Tridentate Ligate","Journal of the American Chemical Society","1997","119","","1265","1276","10.1021/ja963195c","","","0.71069","MoKα","","0.0549","0.039","","0.0818","0.0759","","","","1.02","1.082","1.082","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116934","12.868","0.003","19.902","0.002","27.063","0.002","90","","102.22","0.01","90","","6773.8","1.8","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H82 Ga K2 N9 O16 Ti -","- C61 H82 Ga K2 N9 O16 Ti -","- C244 H328 Ga4 K8 N36 O64 Ti4 -","4","1","","Markus Albrecht; Roland Fröhlich","Controlling the Orientation of Sequential Ligands in the Self-Assembly of Binuclear Coordination Compounds","Journal of the American Chemical Society","1997","119","","1656","1661","10.1021/ja963265f","","","0.71073","MoKα","","0.1437","0.0714","","0.2289","0.187","","","","1.036","1.124","1.124","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116935","28.45","0.07","28.45","0.07","65.84","0.2","90","","90","","90","","53291","2","98","2","98","2","","","","","","","Eli Lilly, USA (Vancocin HCl)","5","P 43 21 2","P 4nw 2abw","96","Vancomycin hydrochloride","","","- C67 H79 Cl4 N9 O47.7 -","- C67 H79 Cl4 N9 O47.705 -","- C1072 H1264 Cl64 N144 O763.28 -","16","2","","Patrick J. Loll; Anthony E. Bevivino; Brian D. Korty; Paul H. Axelsen","Simultaneous Recognition of a Carboxylate-Containing Ligand and an Intramolecular Surrogate Ligand in the Crystal Structure of an Asymmetric Vancomycin Dimer","Journal of the American Chemical Society","1997","119","","1516","1522","10.1021/ja963566p","","","0.85","synchrotronX-ray","","0.1241","0.1124","","0.3164","0.2935","","","","1.056","1.057","1.057","","","","","has coordinates,has disorder,has Fobs","176467","2020-10-21","18:00:00",""
"4116936","11.5162","0.0011","15.261","0.002","14.815","0.002","90","","103.183","0.01","90","","2535.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Me5CpMo)2Cl2(B4H10)","","- C20 H40 B4 Cl2 Mo2 -","- C20 H40 B4 Cl2 Mo2 -","- C80 H160 B16 Cl8 Mo8 -","4","1","","Simon Aldridge; Thomas P. Fehlner; Maoyu Shang","Directed Synthesis of Chromium and Molybdenum Metallaborane Clusters. Preparation and Characterization of (Cp*Cr)2B5H9, (Cp*Mo)2B5H9, and (Cp*MoCl)2B4H10","Journal of the American Chemical Society","1997","119","","2339","2340","10.1021/ja963864m","","","0.71073","MoKα","","0.083","0.0708","","0.229","0.2148","","","","1.216","1.289","1.289","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116937","10.154","0.0002","16.43","0.0003","19.8388","0.0005","89.435","0.001","84.123","0.001","82.19","","3261.75","0.12","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H99 Mg Mo2 N12 O2.5 Si6 -","- C40 H98 Mg Mo2 N12 O2.5 Si6 -","- C80 H196 Mg2 Mo4 N24 O5 Si12 -","2","1","","Myra B. O'Donoghue; Nadia C. Zanetti; William M. Davis; Richard R. Schrock","""Fixation"" of Dinitrogen by Molybdenum and the Formation of a Trigonal Planar Iron-Tris[molybdenum(dinitrogen)] Complex","Journal of the American Chemical Society","1997","119","","2753","2754","10.1021/ja963822y","","","0.71073","MoKα","","0.1018","0.0907","","0.2435","0.2274","","","","1.165","1.195","1.195","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116938","10.4926","0.0002","14.33","0.0001","26.8775","0.0006","97.285","0.001","93.267","0.001","90.163","0.002","4001.93","0.12","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.25 H120 Fe Mo3 N18 Si9 -","- C46.25 H116 Fe Mo3 N18 Si9 -","- C92.5 H232 Fe2 Mo6 N36 Si18 -","2","1","","Myra B. O'Donoghue; Nadia C. Zanetti; William M. Davis; Richard R. Schrock","""Fixation"" of Dinitrogen by Molybdenum and the Formation of a Trigonal Planar Iron-Tris[molybdenum(dinitrogen)] Complex","Journal of the American Chemical Society","1997","119","","2753","2754","10.1021/ja963822y","","","0.71073","MoKα","","0.1896","0.1345","","0.3082","0.2611","","","","1.28","1.382","1.382","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116939","17.0164","0.0002","16.9922","0.0003","34.251","","90","","90","","90","","9903.5","0.2","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H39 Mo N6 Si3 -","- C15 H39 Mo N6 Si3 -","- C240 H624 Mo16 N96 Si48 -","16","2","","Myra B. O'Donoghue; Nadia C. Zanetti; William M. Davis; Richard R. Schrock","""Fixation"" of Dinitrogen by Molybdenum and the Formation of a Trigonal Planar Iron-Tris[molybdenum(dinitrogen)] Complex","Journal of the American Chemical Society","1997","119","","2753","2754","10.1021/ja963822y","","","0.71073","MoKα","","0.0554","0.0459","","0.106","0.0969","","","","1.245","1.269","1.269","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116940","26.625","0.005","6.1358","0.001","22.047","0.003","90","","96.011","0.013","90","","3581.9","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 O Si2 -","- C17 H24 O Si2 -","- C136 H192 O8 Si16 -","8","1","","Wenwei Huang; Decai Fang; Karen Temple; Thomas T. Tidwell","Stabilized and Persistent Allenylketenes","Journal of the American Chemical Society","1997","119","","2832","2838","10.1021/ja963496m","","","0.71073","MoKα","","0.0508","0.037","","0.0983","0.0937","","","","0.925","1.015","1.015","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116941","20.418","0.002","19.2789","0.0014","37.606","0.002","90","","90","","90","","14803","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H96 B Fe2 N7 O5 -","- C84 H96 B Fe2 N7 O5 -","- C672 H768 B8 Fe16 N56 O40 -","8","1","","Jonathan D. Cohen; Sonha C. Payne; Karl S. Hagen; Joann Sanders-Loehr","Raman Evidence for a Trapped-Valence FeII-O-FeIII Complex Formed from an Outer-Sphere Reaction of Diiron(II) with Dioxygen","Journal of the American Chemical Society","1997","119","","2960","2961","10.1021/ja9638871","","","1.54178","CuKα","","0.1226","0.0816","","0.3213","0.2153","","","","1.021","1.012","1.012","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116942","20.5573","0.0009","19.3176","0.0008","37.7437","0.0014","90","","90","","90","","14988.7","1.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H95 B Fe2 N7 O5 -","- C84 H95 B Fe2 N7 O5 -","- C672 H760 B8 Fe16 N56 O40 -","8","1","","Jonathan D. Cohen; Sonha C. Payne; Karl S. Hagen; Joann Sanders-Loehr","Raman Evidence for a Trapped-Valence FeII-O-FeIII Complex Formed from an Outer-Sphere Reaction of Diiron(II) with Dioxygen","Journal of the American Chemical Society","1997","119","","2960","2961","10.1021/ja9638871","","","1.54178","CuKα","","0.1304","0.0716","","0.2175","0.1729","","","","1.022","1.113","1.113","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116943","12.937","0.002","14.977","0.003","25.627","0.005","93.84","0.01","91.12","0.01","96.26","0.01","4922.9","1.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H119 B2 Fe2 N8 O7 -","- C112 H119 B2 Fe2 N8 O7 -","- C224 H238 B4 Fe4 N16 O14 -","2","1","","Jonathan D. Cohen; Sonha C. Payne; Karl S. Hagen; Joann Sanders-Loehr","Raman Evidence for a Trapped-Valence FeII-O-FeIII Complex Formed from an Outer-Sphere Reaction of Diiron(II) with Dioxygen","Journal of the American Chemical Society","1997","119","","2960","2961","10.1021/ja9638871","","","1.54178","CuKα","","0.0954","0.0657","","0.2025","0.1753","","","","1.015","1.074","1.074","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116944","16.223","0.004","12.601","0.003","24.378","0.008","90","","90.16","0.03","90","","4983","2","294.2","","294.2","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C36 H16 -","- C36 H16 -","- C288 H128 -","8","1","","Michael M. Haley; Michael L. Bell; Jamieson J. English; Charles A. Johnson; Timothy J. R. Weakley","Versatile Synthetic Route to and DSC Analysis of Dehydrobenzoannulenes: Crystal Structure of a Heretofore Inaccessible [20]Annulene Derivative","Journal of the American Chemical Society","1997","119","","2956","2957","10.1021/ja964048h","","","0.7107","MoKalpha","","","0.0605","","","0.0411","","","","","1.625","1.625","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116945","16.034","0.001","16.034","","50.64","0.01","90","","90","","120","","11275","2","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Cd58.34 Na49 Sn37.69 -","- Cd58.344 Na49 Sn37.692 -","- Cd175.032 Na147 Sn113.076 -","3","0.0833333","","Evgeny Todorov; Slavi C. Sevov","Synthesis, Characterization, Electronic Structure, and Bonding of Heteroatomic Deltahedral Clusters: Na49Cd58.5Sn37.5, A Network Structure Containing the First Empty Icosahedron without a Group 13 Element and the Largest closo-Deltahedron","Journal of the American Chemical Society","1997","119","","2869","2876","10.1021/ja964077s","","","0.71073","MoKα","","0.0423","0.0329","","0.0721","0.0682","","","","1.224","1.252","1.252","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116946","13.751","0.002","16.241","0.002","11.2","0.001","90","","113.81","0.01","90","","2288.4","0.5","149","2","149","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H11 F6 Sb -","- C9 H11 F6 Sb -","- C72 H88 F48 Sb8 -","8","1","","Thomas Laube; George A. Olah; Robert Bau","First X-ray Crystallographic Study of a Benzyl Cation, Cumyl Hexafluoroantimonate(V), and Structural Implications","Journal of the American Chemical Society","1997","119","","3087","3092","10.1021/ja9631514","","","0.71073","MoKα","","0.0977","0.0502","","0.1164","0.1054","","","","0.799","1","1","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116947","21.033","0.004","19.714","0.002","25.336","0.005","90","","90.01","0.02","90","","10505","3","293","2","293","2","","","","","","","synthetic route","5","I 1 2/a 1","-I 2ya","15","","dihydride [η2-1,2-bis(dimethylsilyl)benzene] bis(tricyclohexyl)phosphine ruthenium(II). benzene","","- C52 H92 P2 Ru Si2 -","- C52 H92 P2 Ru Si2 -","- C416 H736 P16 Ru8 Si16 -","8","1","","Fabien Delpech; Sylviane Sabo-Etienne; Bruno Chaudret; Jean-Claude Daran","Synthesis and Characterization of Chelating Bis(silane) Complexes [RuH2{(η2-HSiMe2)2X}(PCy3)2] (X = C6H4, O) Containing Two Ru-(η2-Si-H) Bonds","Journal of the American Chemical Society","1997","119","","3167","3168","10.1021/ja963933x","","","0.71073","MoKα","","","0.0446","","","0.0403","","","","","1.0706","1.0706","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116948","15.668","0.006","15.914","0.003","15.614","0.002","91.73","0.01","120.19","0.02","116.85","0.02","2830.3","1.7","288.2","","298","","","","","","","","","5","P 1","P 1","1","","","","- C33 H72 N18 O21 Zn3 -","- C33 H66 N18 O21 Zn3 -","- C66 H132 N36 O42 Zn6 -","2","2","","Eiichi Kimura; Shin Aoki; Tohru Koike; Motoo Shiro","A Tris(ZnII-1,4,7,10-tetraazacyclododecane) Complex as a New Receptor for Phosphate Dianions in Aqueous Solution","Journal of the American Chemical Society","1997","119","","3068","3076","10.1021/ja9640408","","","0.7107","MoKα","","","0.0514","","","0.0705","","","","","1.14","1.14","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116949","18.481","0.008","13.901","0.003","22.556","0.006","90","","111.8","0.03","90","","5380","3","288.2","","298","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C30 H68 Cl4 N13 O24 P Zn3 -","- C30 H64 Cl4 N13 O24 P Zn3 -","- C120 H256 Cl16 N52 O96 P4 Zn12 -","4","1","","Eiichi Kimura; Shin Aoki; Tohru Koike; Motoo Shiro","A Tris(ZnII-1,4,7,10-tetraazacyclododecane) Complex as a New Receptor for Phosphate Dianions in Aqueous Solution","Journal of the American Chemical Society","1997","119","","3068","3076","10.1021/ja9640408","","","0.7107","MoKα","","","0.0609","","","0.0955","","","","","1.612","1.612","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116950","11.381","0.002","13.116","0.003","25.846","0.005","90","","90","","90","","3858.1","1.3","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H34 Cl4 N2 Ni P2 S2 -","- C38 H34 Cl4 N2 Ni P2 S2 -","- C152 H136 Cl16 N8 Ni4 P8 S8 -","4","1","","Sharada P. Kaiwar; Anthony Vodacek; Neil V. Blough; Robert S. Pilato","Excited State Properties of Quinoxaline-Substituted Platinum 1,2-Enedithiolates","Journal of the American Chemical Society","1997","119","","3311","3316","10.1021/ja9626998","","","0.71073","MoKα","","0.1604","0.0983","","0.1857","0.1609","","","","1.105","1.232","1.232","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116951","28.596","0.005","9.0299","0.0014","26.184","0.003","90","","90","","90","","6761.2","1.8","153","2","153","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C36 H30 B F4 N2 P2 Pd S2 -","- C36 H30 B F4 N2 P2 Pd S2 -","- C288 H240 B8 F32 N16 P16 Pd8 S16 -","8","2","","Sharada P. Kaiwar; Anthony Vodacek; Neil V. Blough; Robert S. Pilato","Excited State Properties of Quinoxaline-Substituted Platinum 1,2-Enedithiolates","Journal of the American Chemical Society","1997","119","","3311","3316","10.1021/ja9626998","","","0.71073","MoKα","","0.1121","0.0755","","0.1861","0.1646","","","","1.078","1.118","1.118","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116952","16.864","0.006","18.652","0.007","16.034","0.006","104.587","0.01","117.934","0.008","101.758","0.01","3995","3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","EM, 4-MeC6H4OME","","","- C180 H210 O29 -","- C180 H192 O29 -","- C180 H192 O29 -","1","0.5","","Roger C. Helgeson; Carolyn B. Knobler; Donald J. Cram","Correlations of Structure with Binding Ability Involving Nine Hemicarcerand Hosts and Twenty-Four Guests1","Journal of the American Chemical Society","1997","119","","3229","3244","10.1021/ja963379r","","","1.5418","CuKα","","0.2416","0.1598","","0.5353","0.4402","","","","1.04","1.164","1.164","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116953","16.827","0.005","18.611","0.006","16.242","0.005","104.081","0.009","117.785","0.01","102.197","0.01","4040","2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","EE, 4-MeC6H4OMe","","","- C184 H218 O29 -","- C184 H188 O28 -","- C184 H188 O28 -","1","0.5","","Roger C. Helgeson; Carolyn B. Knobler; Donald J. Cram","Correlations of Structure with Binding Ability Involving Nine Hemicarcerand Hosts and Twenty-Four Guests1","Journal of the American Chemical Society","1997","119","","3229","3244","10.1021/ja963379r","","","1.54184","CuKα","","0.1972","0.129","","0.4298","0.352","","","","1.03","1.143","1.143","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116954","15.48","0.01","17.349","0.006","14.551","0.007","113.69","0.03","93.69","0.05","95.32","0.05","3541","3","175","2","175","2","","","","","","","","3","P -1","-P 1","2","PE, 4-MeC6H4OMe","","","- C164 H196 O26 -","- C165 H172 O25 -","- C165 H172 O25 -","1","0.5","","Roger C. Helgeson; Carolyn B. Knobler; Donald J. Cram","Correlations of Structure with Binding Ability Involving Nine Hemicarcerand Hosts and Twenty-Four Guests1","Journal of the American Chemical Society","1997","119","","3229","3244","10.1021/ja963379r","","","1.5418","CuKα","","0.2454","0.1763","","0.5102","0.436","","","","1.049","1.16","1.16","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116955","17.288","0.018","18.419","0.017","16.74","0.014","91.25","0.08","117.04","0.06","69.95","0.07","4402","8","175","2","175","2","","","","","","","","3","P -1","-P 1","2","PE, 2-(MeO)C6H4OMe","","","- C204 H246 O38 -","- C204 H210 O38 -","- C204 H210 O38 -","1","0.5","","Roger C. Helgeson; Carolyn B. Knobler; Donald J. Cram","Correlations of Structure with Binding Ability Involving Nine Hemicarcerand Hosts and Twenty-Four Guests1","Journal of the American Chemical Society","1997","119","","3229","3244","10.1021/ja963379r","","","1.5418","CuKα","","0.1884","0.1582","","0.4386","0.3969","","","","1.047","1.086","1.086","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116956","9.3619","0.0006","5.9057","0.0004","18.581","0.001","90","","95.566","0.002","90","","1022.47","0.11","156","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2-Dimethyl-4-(2-oxo-1H-6-pyridyl)-3-butynoic acid","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","","Paul L. Wash; Emily Maverick; John Chiefari; David A. Lightner","Acid-Amide Intermolecular Hydrogen Bonding","Journal of the American Chemical Society","1997","119","","3802","3806","10.1021/ja963416e","","","0.7107","MoKα","","0.0944","0.0429","","0.1281","0.0999","","","","1.041","1.053","1.053","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116957","15.899","0.003","12.702","0.002","20.169","0.004","90","","110.39","0.02","90","","3817.9","1.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H59 B Fe P4 -","- C36 H59 B Fe P4 -","- C144 H236 B4 Fe4 P16 -","4","1","","Dmitry G. Gusev; Rainer Hübener; Peter Burger; Olli Orama; Heinz Berke","Synthesis, Structural Diversity, Dynamics, and Acidity of the M(II) and M(IV) Complexes [MH3(PR3)4]+ (M = Fe, Ru, Os; R = Me, Et)","Journal of the American Chemical Society","1997","119","","3716","3731","10.1021/ja963692t","","","0.71073","MoKα","","6.15","4.87","","16.32","5.48","","","","","1.97","1.97","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116958","12.136","0.002","14.205","0.003","37.117","0.006","90","","98.93","0.01","90","","6321","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H75 B F24 Fe P4 -","- C56 H75 B F24 Fe P4 -","- C224 H300 B4 F96 Fe4 P16 -","4","1","","Dmitry G. Gusev; Rainer Hübener; Peter Burger; Olli Orama; Heinz Berke","Synthesis, Structural Diversity, Dynamics, and Acidity of the M(II) and M(IV) Complexes [MH3(PR3)4]+ (M = Fe, Ru, Os; R = Me, Et)","Journal of the American Chemical Society","1997","119","","3716","3731","10.1021/ja963692t","","","0.71073","MoKα","","0.165","0.0729","","0.1772","0.1275","","","","1.022","1.112","1.112","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116959","15.901","0.002","12.815","0.003","20.3","0.003","90","","110.62","0.01","90","","3871.6","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H59 B Os P4 -","- C36 H59 B Os P4 -","- C144 H236 B4 Os4 P16 -","4","1","","Dmitry G. Gusev; Rainer Hübener; Peter Burger; Olli Orama; Heinz Berke","Synthesis, Structural Diversity, Dynamics, and Acidity of the M(II) and M(IV) Complexes [MH3(PR3)4]+ (M = Fe, Ru, Os; R = Me, Et)","Journal of the American Chemical Society","1997","119","","3716","3731","10.1021/ja963692t","","","0.71073","MoKα","","0.068","0.0488","","0.1336","0.1179","","","","1.038","1.07","1.07","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116960","14.376","0.004","9.16","0.004","16.456","0.007","90","","102.04","0.03","90","","2119.3","1.4","158","2","158","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N2 O Ti -","- C22 H32 N2 O Ti -","- C88 H128 N8 O4 Ti4 -","4","1","","Robert Baumann; William M. Davis; Richard R. Schrock","Synthesis of Titanium and Zirconium Complexes That Contain the Tridentate Diamido Ligand, [((t-Bu-d6)N-o-C6H4)2O]2- ([NON]2-) and the Living Polymerization of 1-Hexene by Activated [NON]ZrMe2","Journal of the American Chemical Society","1997","119","","3830","3831","10.1021/ja963823q","","","0.71073","MoKα","","0.0886","0.0682","","0.1688","0.1482","","","","1.182","1.158","1.158","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116961","11.747","0.005","12.321","0.005","16.829","0.008","100.21","0.03","98.22","0.03","108.06","0.03","2227.5","1.8","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 B F15 N2 O Zr -","- C40 H32 B F15 N2 O Zr -","- C80 H64 B2 F30 N4 O2 Zr2 -","2","1","","Robert Baumann; William M. Davis; Richard R. Schrock","Synthesis of Titanium and Zirconium Complexes That Contain the Tridentate Diamido Ligand, [((t-Bu-d6)N-o-C6H4)2O]2- ([NON]2-) and the Living Polymerization of 1-Hexene by Activated [NON]ZrMe2","Journal of the American Chemical Society","1997","119","","3830","3831","10.1021/ja963823q","","","0.71073","MoKα","","0.1077","0.089","","0.2136","0.1857","","","","1.068","1.117","1.117","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116962","11.868","0.002","12.29","0.002","12.866","0.002","90","","103","0.2","90","","1828.5","1.6","293","2","293","2","","","","","","","Crystallization from ethyl acetate by slow evaporation","4","P 1 21/n 1","-P 2yn","14","5(4H)-oxazolone from Z-TOAC-OH","","","- C18 H23 N2 O4 -","- C18 H23 N2 O4 -","- C72 H92 N8 O16 -","4","1","","Marco Crisma; Giovanni Valle; Fernando Formaggio; Claudio Toniolo; Alessandro Bagno","Reactive Intermediates in Peptide Synthesis: First Crystal Structures and ab Initio Calculations of 2-Alkoxy-5(4H)-oxazolones from Urethane-Protected Amino Acids","Journal of the American Chemical Society","1997","119","","4136","4142","10.1021/ja9637863","","","0.7107","MoKα","","","0.056","","","0.062","","","","","0.689","0.689","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116963","8.266","0.001","18.629","0.002","14.216","0.002","90","","98.6","0.1","90","","2164.5","0.7","293","2","293","2","","","","","","","Crystallization from chloroform - petroleum ether","4","P 1 21/n 1","-P 2yn","14","5(4H)-oxazolone from Fmoc-TOAC-OH","","","- C25 H27 N2 O4 -","- C25 H27 N2 O4 -","- C100 H108 N8 O16 -","4","1","","Marco Crisma; Giovanni Valle; Fernando Formaggio; Claudio Toniolo; Alessandro Bagno","Reactive Intermediates in Peptide Synthesis: First Crystal Structures and ab Initio Calculations of 2-Alkoxy-5(4H)-oxazolones from Urethane-Protected Amino Acids","Journal of the American Chemical Society","1997","119","","4136","4142","10.1021/ja9637863","","","0.7107","MoKα","","","0.054","","","0.056","","","","","1.018","1.018","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116964","8.7905","0.0001","9.0849","0.0003","35.158","0.0009","90","","96.5","0.001","90","","2789.7","0.12","173","2","173","2","","","","","","","J. Kim / Prof. L. Que","6","P 1 21/c 1","-P 2ybc","14","95089","","","- C24 H27 Cl2 Fe N4 O10 -","- C24 H27 Cl2 Fe N4 O10 -","- C96 H108 Cl8 Fe4 N16 O40 -","4","1","","Yan Zang; Jinheung Kim; Yanhong Dong; Elizabeth C. Wilkinson; Evan H. Appelman; Lawrence Que","Models for Nonheme Iron Intermediates: Structural Basis for Tuning the Spin States of Fe(TPA) Complexes","Journal of the American Chemical Society","1997","119","","4197","4205","10.1021/ja9638521","","","0.71073","MoKα","","0.1254","0.0939","","0.2137","0.1957","","","","1.177","1.275","1.275","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116965","6.617","0.002","7.436","0.002","13.965","0.003","76.39","0.02","82.31","0.02","87.26","0.02","661.7","0.3","293","","293","","","","","","","","","7","P 1","P 1","1","","","","- C9 H15 Cl F12 N P2 Rh -","- C18 H30 Cl F12 N2 P2 Rh -","- C18 H30 Cl F12 N2 P2 Rh -","1","1","","Joseph P. Konopelski; Lubov K. Filonova; Marilyn M. Olmstead","Dipeptide Surrogates Containing Asparagine-Derived Tetrahydropyrimidinones: Preparation, Structure, and Use in Solid Phase Synthesis","Journal of the American Chemical Society","1997","119","","4305","4306","10.1021/ja9639271","","","0.71073","MoKα","","","0.044","","","0.0484","","","","","3.6013","3.6013","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116966","21.183","0.002","21.18","0.003","8.324","0.002","90","","90","","90","","3734.6","1.1","25","","293","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C17 H27 B F4 Rh -","- C16.8 H16 B F4 N0.9 Rh -","- C134.4 H128 B8 F32 N7.2 Rh8 -","8","1","","Joseph P. Konopelski; Lubov K. Filonova; Marilyn M. Olmstead","Dipeptide Surrogates Containing Asparagine-Derived Tetrahydropyrimidinones: Preparation, Structure, and Use in Solid Phase Synthesis","Journal of the American Chemical Society","1997","119","","4305","4306","10.1021/ja9639271","","","0.71073","MoKα","","","0.0473","","","0.0526","","","","","1.0947","1.0947","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116967","8.094","0.003","19.2","0.008","10.138","0.004","90","","107.88","0.04","90","","1499.4","1.1","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(N,N-dimethylhydroxylamino)silane","","- C8 H24 N4 O4 Si -","- C8 H24 N4 O4 Si -","- C32 H96 N16 O16 Si4 -","4","1","","Norbert W. Mitzel; Alexander J. Blake; David W. H. Rankin","β-Donor Bonds in SiON Units: An Inherent Structure- Determining Property Leading to (4 + 4)-Coordination in Tetrakis-(N,N-dimethylhydroxylamido)silane","Journal of the American Chemical Society","1997","119","","4143","4148","10.1021/ja9640004","","","0.71073","MoKα","","0.0923","0.0457","","0.2731","0.0986","","","","1.055","1.045","1.045","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116968","8.0422","0.0005","8.0422","0.0005","24.653","0.002","90","","90","","90","","1594.48","0.19","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Tetraisopropoxysilane","","- C12 H28 O4 Si -","- C12 H28 O4 Si -","- C48 H112 O16 Si4 -","4","0.25","","Norbert W. Mitzel; Alexander J. Blake; David W. H. Rankin","β-Donor Bonds in SiON Units: An Inherent Structure- Determining Property Leading to (4 + 4)-Coordination in Tetrakis-(N,N-dimethylhydroxylamido)silane","Journal of the American Chemical Society","1997","119","","4143","4148","10.1021/ja9640004","","","1.54184","CuKα","","0.0336","0.0314","","0.0827","0.0782","","","","1.102","1.121","1.121","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116969","15.58","0.01","17.534","0.004","28.455","0.007","90","","99.74","0.03","90","","7661","6","20","","20","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H64 Cr2 N4 O4 P4 Pt2 -","- C288 Cr8 N16 O16 P16 Pt8 -","- C288 Cr8 N16 O16 P16 Pt8 -","","","","Kazushi Mashima; Mitsuhiro Tanaka; Kazuhide Tani; Akira Nakamura; Sadamu Takeda; Wasuke Mori; Kizashi Yamaguchi","Elongation of the Quadruple CrII-CrII Bond Induced by Two PtMe2 Moieties in the Linearly Aligned Tetrametal System, PtMe2...Cr-Cr...PtMe2","Journal of the American Chemical Society","1997","119","","4307","4308","10.1021/ja964052t","","","0.7107","MoKalpha","","","0.064","","","0.064","","","","","2.75","2.75","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116970","18.645","0.005","17.896","0.003","19.338","0.003","90","","104.12","0.02","90","","6258","2","23","","23","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C69 H54 Cl2 Cr2 N4 O4 P4 -","- C272 Cr8 N16 O16 P16 -","- C272 Cr8 N16 O16 P16 -","","","","Kazushi Mashima; Mitsuhiro Tanaka; Kazuhide Tani; Akira Nakamura; Sadamu Takeda; Wasuke Mori; Kizashi Yamaguchi","Elongation of the Quadruple CrII-CrII Bond Induced by Two PtMe2 Moieties in the Linearly Aligned Tetrametal System, PtMe2...Cr-Cr...PtMe2","Journal of the American Chemical Society","1997","119","","4307","4308","10.1021/ja964052t","","","0.7107","MoKalpha","","","0.072","","","0.069","","","","","2.01","2.01","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116971","23.804","0.006","13.814","0.004","24.314","0.003","90","","109.34","0.01","90","","7544","3","230","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C84 H84 O16 -","- C84 H80 O16 -","- C336 H320 O64 -","4","1","","Ken Endo; Takashi Koike; Tomoya Sawaki; Osamu Hayashida; Hideki Masuda; Yasuhiro Aoyama","Catalysis by Organic Solids. Stereoselective Diels-Alder Reactions Promoted by Microporous Molecular Crystals Having an Extensive Hydrogen-Bonded Network","Journal of the American Chemical Society","1997","119","","4117","4122","10.1021/ja964198s","","","0.71073","MoKα","","","0.062","","","0.07","","","","","1.606","1.606","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116972","16.377","0.002","29.029","0.002","8.932","0.002","90","","90","","90","","4246.3","1.1","297","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H31 I O3 Si -","- C19 H31 I O3 Si -","- C152 H248 I8 O24 Si8 -","8","2","","Chin-Kang Sha; Rei-Torng Chiu; Cheng-Fen Yang; Nai-Tung Yao; Wei-Hong Tseng; Fen-Ling Liao; Sue-Lein Wang","Total Synthesis of (-)-Dendrobine via α-Carbonyl Radical Cyclization","Journal of the American Chemical Society","1997","119","","4130","4135","10.1021/ja9643432","","","0.71073","MoKα","","","0.0448","","","0.0543","","","","","0.88","0.88","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116973","10.6518","0.0015","7.5072","0.0006","11.9581","0.0014","90","","110.698","0.008","90","","894.51","0.18","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br1.78 Cl0.22 Mo2 -","- C18 H22 Br1.78 Cl0.22 Mo2 -","- C36 H44 Br3.56 Cl0.44 Mo4 -","2","0.5","","Li-Sheng Wang; James C. Fettinger; Rinaldo Poli","Cyclopentadienylmolybdenum(II) and -(III) Complexes Containing Diene and Allyl Ligands. 1. Isomeric Preferences and Isomerization Rates in a Pair of Redox-Related Organometallic Complexes","Journal of the American Chemical Society","1997","119","","4453","4464","10.1021/ja964078k","","","0.71073","MoKα","","0.0379","0.0373","","0.0994","0.0988","","","","1.216","1.224","1.224","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116974","12.4437","0.0005","7.3498","0.0004","12.0043","0.0005","90","","111.927","0.003","90","","1018.48","0.08","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Mo -","- C12 H16 Mo -","- C48 H64 Mo4 -","4","1","","Li-Sheng Wang; James C. Fettinger; Rinaldo Poli","Cyclopentadienylmolybdenum(II) and -(III) Complexes Containing Diene and Allyl Ligands. 1. Isomeric Preferences and Isomerization Rates in a Pair of Redox-Related Organometallic Complexes","Journal of the American Chemical Society","1997","119","","4453","4464","10.1021/ja964078k","","","0.71073","MoKα","","0.0211","0.0163","","0.0438","0.041","","","","1.065","1.097","1.097","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116975","7.6228","0.0005","23.336","0.002","7.7887","0.0004","90","","90","","90","","1385.5","0.17","153","2","153","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H16 F6 Mo P -","- C12 H16 F6 Mo P -","- C48 H64 F24 Mo4 P4 -","4","0.25","","Li-Sheng Wang; James C. Fettinger; Rinaldo Poli","Cyclopentadienylmolybdenum(II) and -(III) Complexes Containing Diene and Allyl Ligands. 1. Isomeric Preferences and Isomerization Rates in a Pair of Redox-Related Organometallic Complexes","Journal of the American Chemical Society","1997","119","","4453","4464","10.1021/ja964078k","","","0.71073","MoKα","","0.0379","0.0375","","0.0967","0.0964","","","","1.125","1.13","1.13","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116976","11.9689","0.0006","11.6175","0.0011","7.4177","0.0006","90","","90","","90","","1031.42","0.14","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C12 H16 Mo -","- C12 H16 Mo -","- C48 H64 Mo4 -","4","0.5","","Li-Sheng Wang; James C. Fettinger; Rinaldo Poli","Cyclopentadienylmolybdenum(II) and -(III) Complexes Containing Diene and Allyl Ligands. 1. Isomeric Preferences and Isomerization Rates in a Pair of Redox-Related Organometallic Complexes","Journal of the American Chemical Society","1997","119","","4453","4464","10.1021/ja964078k","","","0.71073","MoKα","","0.0338","0.0308","","0.0865","0.0838","","","","1.143","1.158","1.158","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116977","11.4973","0.0015","23.932","0.003","24.811","0.003","90","","90","","90","","6826.8","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H35 F P2 Pd -","- C42 H35 F P2 Pd -","- C336 H280 F8 P16 Pd8 -","8","1","","Scott L. Fraser; Mikhail Yu. Antipin; Viktor N. Khroustalyov; Vladimir V. Grushin","Molecular Fluoro Palladium Complexes","Journal of the American Chemical Society","1997","119","","4769","4770","10.1021/ja963984u","","","0.71073","MoKα","","0.0807","0.047","","0.2067","0.1101","","","","1.054","1.069","1.069","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116978","6.8483","0.0005","14.531","0.002","22.56","0.002","106.602","0.006","93.405","0.005","101.127","0.005","2095.3","0.4","290","","290","","100","","100","","","","","4","P -1","-P 1","2","","3,7-Bis-trimethylsilanyl-1,4a,5,8a,9,9a-hexahydro-4H-cyclopenta[β] naphthalene-2,6-dione.","","- C19 H30 O2 Si2 -","- C19 H30 O2 Si2 -","- C76 H120 O8 Si8 -","4","2","","Anna Quattropani; Gary Anderson; Gérald Bernardinelli; E. Peter Kündig","Asymmetric Propargylation/Allylation/Pauson-Khand Cyclization of a Planar Chiral Anisole Tricarbonylchromium Complex","Journal of the American Chemical Society","1997","119","","4773","4774","10.1021/ja964256+","","","1.54183","x-ray","","0.09","0.076","","0.06","0.052","","","","5.912","5.404","5.404","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116979","21.137","0.004","22.327","0.005","9.149","0.002","90","","90","","90","","4317.6","1.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H35 P -","- C23 H35 P -","- C184 H280 P8 -","8","1","","György Keglevich; Zsolt Böcskei; György Miklós Keserü; Kálmán Újszászy; Louis D. Quin","1-(2,4,6-Tri-tert-butylphenyl)-3-methylphosphole: A Phosphole with a Significantly Flattened Phosphorus Pyramid Having Pronounced Characteristics of Aromaticity","Journal of the American Chemical Society","1997","119","","5095","5099","10.1021/ja970463d","","","1.54178","CuKα","","0.1961","0.0729","","0.2797","0.1854","","","","1.043","1.103","1.103","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116980","17.707","0.006","13.78","0.005","16.267","0.008","90","0","94.72","0.03","90","0","3956","3","298","","","","","","","","","","Local laboratory","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H46 Cl2 N6 Ni2 O14 -","- C33 H40 Cl2 N6 Ni2 O13 -","- C132 H160 Cl8 N24 Ni8 O52 -","4","1","","Kazuya Yamaguchi; Shouzou Koshino; Fumio Akagi; Masatatsu Suzuki; Akira Uehara; Shinnichiro Suzuki","Structures and Catalytic Activities of Carboxylate-Bridged Dinickel(II) Complexes as Models for the Metal Center of Urease","Journal of the American Chemical Society","1997","119","","5752","5753","10.1021/ja963982+","","","0.71073","MoK-alpha","","","0.0696","","","0.069","","","","","5.799","5.799","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116981","13.971","0.007","14.474","0.005","12.479","0.006","93.47","0.03","116.46","0.04","92.49","0.04","2248","1.9","298","","","","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C34 H48 Cl2 N8 Ni2 O14 -","- C35 H48 Cl2 N10 Ni2 O13 -","- C70 H96 Cl4 N20 Ni4 O26 -","2","1","","Kazuya Yamaguchi; Shouzou Koshino; Fumio Akagi; Masatatsu Suzuki; Akira Uehara; Shinnichiro Suzuki","Structures and Catalytic Activities of Carboxylate-Bridged Dinickel(II) Complexes as Models for the Metal Center of Urease","Journal of the American Chemical Society","1997","119","","5752","5753","10.1021/ja963982+","","","0.71073","MoK-alpha","","","0.0604","","","0.0641","","","","","4.6645","4.6645","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116982","18.184","0.002","13.234","0.001","29.102","0.004","90","","93.21","0.02","90","","6992.3","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","C7H14S4=3,7-dithianonane-1,9-dithiolat C15H23S=2,4,6-trisiopropylbenzenethiolat","","- C47 H80 Cl6 Fe4 Ni2 S14 -","- C47 H80 Cl6 Fe4 Ni2 S14 -","- C188 H320 Cl24 Fe16 Ni8 S56 -","4","1","","Frank Osterloh; Wolfgang Saak; Siegfried Pohl","Unidentate and Bidentate Binding of Nickel(II) Complexes to an Fe4S4 Cluster via Bridging Thiolates: Synthesis, Crystal Structures, and Electrochemical Properties of Model Compounds for the Active Sites of Nickel Containing CO Dehydrogenase/Acetyl-CoA Synthase","Journal of the American Chemical Society","1997","119","","5648","5656","10.1021/ja970194r","","","0.71073","MoKα","","0.1229","0.0971","","0.211","0.1914","","","","1.28","1.315","1.315","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116983","20.888","0.001","20.888","0.001","20.532","0.001","90","","90","","90","","8958.3","0.7","296","2","296","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","C11H24N2S2=N,N-diethyl-3,7-diazanonane-1,9-dithiolat","","- C26 H54 Fe4 I2 N6 Ni2 S8 -","- C26 H54 Fe4 I2 N6 Ni2 S8 -","- C208 H432 Fe32 I16 N48 Ni16 S64 -","8","0.5","","Frank Osterloh; Wolfgang Saak; Siegfried Pohl","Unidentate and Bidentate Binding of Nickel(II) Complexes to an Fe4S4 Cluster via Bridging Thiolates: Synthesis, Crystal Structures, and Electrochemical Properties of Model Compounds for the Active Sites of Nickel Containing CO Dehydrogenase/Acetyl-CoA Synthase","Journal of the American Chemical Society","1997","119","","5648","5656","10.1021/ja970194r","","","0.71073","MoKα","","0.049","0.0353","","0.0715","0.0655","","","","1.067","1.108","1.108","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116984","14.975","0.001","19.473","0.001","28.242","0.002","90","","90","","90","","8235.6","0.9","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","C11H24N2S2=N,N-diethyl-3,7-diazanonane-1,9-dithiolat C15H23S=2,4,6-trisiopropylbenzenethiolat","","- C56 H102 Fe4 N4 Ni2 O S10 -","- C56 H102 Fe4 N4 Ni2 O S10 -","- C224 H408 Fe16 N16 Ni8 O4 S40 -","4","1","","Frank Osterloh; Wolfgang Saak; Siegfried Pohl","Unidentate and Bidentate Binding of Nickel(II) Complexes to an Fe4S4 Cluster via Bridging Thiolates: Synthesis, Crystal Structures, and Electrochemical Properties of Model Compounds for the Active Sites of Nickel Containing CO Dehydrogenase/Acetyl-CoA Synthase","Journal of the American Chemical Society","1997","119","","5648","5656","10.1021/ja970194r","","","0.71073","MoKα","","0.1006","0.0761","","0.2485","0.1921","","","","1.262","1.255","1.255","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116985","7.767","0.001","10.957","0.001","7.682","0.002","93.8","0.01","117.61","0.01","103.05","0.01","553.18","0.18","299","","299","","","","","","","","Local laboratory","3","P -1","-P 1","2","","","","- C26 H16 N6 -","- C26 H16 N6 -","- C26 H16 N6 -","1","0.5","","Yoshikatsu Ito; Sotaro Endo; Shigeru Ohba","Novel Photocoupling Reaction in Two-Component Crystals of Tetracyanobenzene with Benzyl Cyanide","Journal of the American Chemical Society","1997","119","","5974","5975","10.1021/ja964451o","","","0.71073","MoKα","","","0.0533","","","0.0515","","","","","1.03","1.03","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116986","7.721","0.002","13.393","0.003","7.219","0.002","103.19","0.02","105.65","0.02","78.45","0.02","692.2","0.3","300","","299","","","","","","","","Local laboratory","3","P -1","-P 1","2","","","","- C18 H9 N5 -","- C18 H9 N5 -","- C36 H18 N10 -","2","1","","Yoshikatsu Ito; Sotaro Endo; Shigeru Ohba","Novel Photocoupling Reaction in Two-Component Crystals of Tetracyanobenzene with Benzyl Cyanide","Journal of the American Chemical Society","1997","119","","5974","5975","10.1021/ja964451o","","","0.71073","MoKα","","","0.0527","","","0.067","","","","","0.992","0.992","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116987","7.6495","0.0014","12.384","0.006","27.867","0.012","90","","90","","90","","2639.9","1.8","153","","153","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H14 N O4 S2 V -","- C11 H14 N O4 S2 V -","- C88 H112 N8 O32 S16 V8 -","8","1","","Charles R. Cornman; Thad C. Stauffer; Paul D. Boyle","Oxidation of a Vanadium(V)-Dithiolate Complex to a Vanadium(V)-η2,η2-Disulfenate Complex","Journal of the American Chemical Society","1997","119","","5986","5987","10.1021/ja971007s","","","0.71073","MolybdenumKα","","0.046","0.046","","0.047","0.047","","","","","1.15","1.15","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116988","6.798","0.002","7.137","0.002","14.73","0.004","90.85","0.03","100.93","0.02","115.05","0.03","632","0.4","148","","148","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H14 N O2 S2 V -","- C11 H14 N O2 S2 V -","- C22 H28 N2 O4 S4 V2 -","2","1","","Charles R. Cornman; Thad C. Stauffer; Paul D. Boyle","Oxidation of a Vanadium(V)-Dithiolate Complex to a Vanadium(V)-η2,η2-Disulfenate Complex","Journal of the American Chemical Society","1997","119","","5986","5987","10.1021/ja971007s","","","0.71073","MolybdenumKα","","0.035","0.035","","0.044","0.044","","","","","1.24","1.24","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116989","12.003","0.004","14.081","0.004","11.754","0.002","102.47","0.02","103.02","0.02","76.76","0.03","1855.6","0.9","298","","298","","","","","","","","methylene chloride/thf","6","P -1","-P 1","2","","","","- C68 H61 Cl8 N11 Ni O20 -","- C72 H30 Cl8 N12 Ni O18 -","- C72 H30 Cl8 N12 Ni O18 -","1","0.5","","Karine Ozette; Philippe Leduc; Magali Palacio; Jean-Francois Bartoli; Kathleen M. Barkigia; Jack Fajer; Pierrette Battioni; Daniel Mansuy","New Metalloporphyrins with Extremely Altered Redox Properties: Synthesis, Structure, and Facile Reduction to Air-Stable π-Anion Radicals of Zinc and Nickel β-Heptanitroporphyrins","Journal of the American Chemical Society","1997","119","","6442","6443","10.1021/ja970882a","","","0.71073","Mo-Kα","","0.2","0.096","","","0.099","","","","","2.525","2.525","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116990","13.275","0.002","14.672","0.003","12.172","0.002","95.81","0.02","91.09","0.01","94.36","0.01","2350.9","0.7","290.2","","290.2","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H71 B O2 P2 Ru -","- C62 H56 B O2 P2 Ru -","- C124 H112 B2 O4 P4 Ru2 -","2","1","","Isaac de los Ríos; Manuel Jiménez Tenorio; M. Carmen Puerta; Pedro Valerga","Alternative Mechanisms of the Alkyne to Vinylidene Isomerization Promoted by Half-Sandwich Ruthenium Complexes. X-ray Crystal Structures of [Cp*RuCCHCOOMe(dippe)][BPh4] and [Cp*RuH(C\τbCCOOMe)(dippe)][BPh4] (dippe = 1,2-bis(diisopropylphosphino)ethane; Cp* = C5Me5)","Journal of the American Chemical Society","1997","119","","6529","6538","10.1021/ja9701220","","","0.7107","MoKalpha","","","0.0579","","","0.0695","","","","","1.687","1.687","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116991","16.167","0.007","28.707","0.004","10.257","0.006","90","","90","","90","","4760","4","290.2","","290.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H71 B O2 P2 Ru -","- C52 H71 B O2 P2 Ru -","- C208 H284 B4 O8 P8 Ru4 -","4","1","","Isaac de los Ríos; Manuel Jiménez Tenorio; M. Carmen Puerta; Pedro Valerga","Alternative Mechanisms of the Alkyne to Vinylidene Isomerization Promoted by Half-Sandwich Ruthenium Complexes. X-ray Crystal Structures of [Cp*RuCCHCOOMe(dippe)][BPh4] and [Cp*RuH(C\τbCCOOMe)(dippe)][BPh4] (dippe = 1,2-bis(diisopropylphosphino)ethane; Cp* = C5Me5)","Journal of the American Chemical Society","1997","119","","6529","6538","10.1021/ja9701220","","","0.7107","MoKalpha","","","0.0642","","","0.0727","","","","","1.535","1.535","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116992","8.2788","0.0002","23.3285","0.0002","12.111","0.0002","90","","106.162","0.002","90","","2246.58","0.07","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 N4 -","- C24 H42 N4 -","- C96 H168 N16 -","4","1","","Stephen F. Nelsen; Michael T. Ramm; J. Jens Wolff; Douglas R. Powell","Intramolecular Electron Transfer between Doubly Four σ-Bond-Linked Tetraalkylhydrazine Cationic and Neutral Units","Journal of the American Chemical Society","1997","119","","6863","6872","10.1021/ja963415m","","","0.71073","MoKα","","0.0753","0.064","","0.1331","0.128","","","","1.202","1.245","1.245","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116993","11.2781","0.0002","12.2227","0.0002","22.9815","0.0002","79.02","0.002","76.686","0.002","76.421","0.002","2965.33","0.08","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C73 H81 B2 N5 -","- C73 H81 B2 N5 -","- C146 H162 B4 N10 -","2","1","","Stephen F. Nelsen; Dwight A. Trieber; J. Jens Wolff; Douglas R. Powell; Shervalen Rogers-Crowley","Intramolecular Electron Transfer between Doubly Six σ-Bond-Linked Trialkyldiazenium Cation and Diazenyl Radical Units","Journal of the American Chemical Society","1997","119","","6873","6882","10.1021/ja9634177","","","0.71073","MoKα","","0.1074","0.0648","","0.167","0.1457","","","","1.065","1.16","1.16","","","","","has coordinates,has disorder","178940","2020-10-21","18:00:00",""
"4116994","8.352","0.002","10.2231","0.001","14.2308","0.001","90","","97.974","0.008","90","","1203.3","0.3","113","2","113","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C15 H20 N4 -","- C15 H20 N4 -","- C60 H80 N16 -","4","0.5","","Stephen F. Nelsen; Dwight A. Trieber; J. Jens Wolff; Douglas R. Powell; Shervalen Rogers-Crowley","Intramolecular Electron Transfer between Doubly Six σ-Bond-Linked Trialkyldiazenium Cation and Diazenyl Radical Units","Journal of the American Chemical Society","1997","119","","6873","6882","10.1021/ja9634177","","","1.54178","CuKα","","0.0534","0.0471","","0.121","0.1182","","","","1.098","1.125","1.125","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116995","35.79","0.008","10.502","0.005","12.401","0.003","90","","95.66","0.02","90","","4638","3","293","2","293","2","","","","","","","syntesis","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 I2 -","- C24 H26 I2 -","- C192 H208 I16 -","8","2","","José Barluenga; Isidro Llorente; Lorenzo J. Alvarez-García; José M. González; Pedro J. Campos; M. Rosario Díaz; Santiago García-Granda","Reactions of (tert-Butyldimethylsilyl)alkynes with IPy2BF4: Selective Synthesis of Novel Head-to-Head Dimers","Journal of the American Chemical Society","1997","119","","6933","6934","10.1021/ja970108n","","","0.71073","MoKα","","0.1325","0.0569","","0.1634","0.1524","","","","0.894","1.222","1.222","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116996","4.121","0.001","38.907","0.007","11.03","0.002","90","","93.68","0.01","90","","1764.9","0.6","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 O3 S -","- C19 H25 O3 S -","- C76 H100 O12 S4 -","4","1","","Weijin Li; Vincent Lynch; Heike Thompson; Marye Anne Fox","Self-Assembled Monolayers of 7-(10-Thiodecoxy)coumarin on Gold: Synthesis, Characterization, and Photodimerization","Journal of the American Chemical Society","1997","119","","7211","7217","10.1021/ja970633m","","","0.71073","MoKα","","0.1394","0.0958","","0.2468","0.2178","","","","1.202","1.32","1.32","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116997","14.95","0.002","22.361","0.002","9.6966","0.0003","90","","104.854","0.005","90","","3133.2","0.5","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Fe N5 O -","- C36 H44 Fe N5 O -","- C144 H176 Fe4 N20 O4 -","4","1","","Mary K. Ellison; W. Robert Scheidt","Structural Distortion in Five-Coordinate Nitrosyl Iron Porphyrins. Axial Ligand Tilting and Its Effect on Equatorial Geometry","Journal of the American Chemical Society","1997","119","","7404","7405","10.1021/ja971140k","","","0.71073","MoKα","","0.0523","0.0421","","0.1561","0.1515","","","","1.283","1.332","1.332","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116998","10.4204","0.0001","10.5562","0.0007","14.0425","0.0007","79.83","0.005","89.585","0.004","80.264","0.004","1498.1","0.13","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 Fe N5 O -","- C36 H44 Fe N5 O -","- C72 H88 Fe2 N10 O2 -","2","1","","Mary K. Ellison; W. Robert Scheidt","Structural Distortion in Five-Coordinate Nitrosyl Iron Porphyrins. Axial Ligand Tilting and Its Effect on Equatorial Geometry","Journal of the American Chemical Society","1997","119","","7404","7405","10.1021/ja971140k","","","0.71073","MoKα","","0.0535","0.0412","","0.1128","0.1059","","","","1.024","1.057","1.057","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116999","16.948","0.027","18.224","0.025","20.316","0.017","79.39","0.08","72.11","0.1","66.73","0.11","5471","13","298","2","298","2","","","","","","","see text","5","P -1","-P 1","2","","1-Bromo-3,5-bis(1,3,4,5,6,7,8-heptaphenyl-2-naphthyl)benzene 3.5Nitrobenzene/1.0Toluene Solvate","","- C138 H98.5 Br N3.5 O7 -","- C138 H98.5 Br N3.5 O7 -","- C276 H197 Br2 N7 O14 -","2","1","","Ling Tong; Douglas M. Ho; Nancy J. Vogelaar; Clarence E. Schutt; Robert A. Pascal","The Albatrossenes: Large, Cleft-Containing, Polyphenyl Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","1997","119","","7291","7302","10.1021/ja971261k","","","1.54178","CuKα","","0.1253","0.1152","","0.3262","0.3084","","","","1.035","1.081","1.081","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117000","16.922","0.002","13.627","0.002","20.291","0.003","77.741","0.009","72.291","0.008","85.612","0.008","4355.3","1.1","230","2","230","2","","","","","","","see text","5","P -1","-P 1","2","","1-Bromo-3,5-bis(1,3,4,5,6,7,8-heptaphenyl-2-naphthyl)benzene Nitrobenzene Solvate","","- C116 H78 Br N O2 -","- C110 H73 Br -","- C220 H146 Br2 -","2","1","","Ling Tong; Douglas M. Ho; Nancy J. Vogelaar; Clarence E. Schutt; Robert A. Pascal","The Albatrossenes: Large, Cleft-Containing, Polyphenyl Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","1997","119","","7291","7302","10.1021/ja971261k","","","0.71073","MoKα","","0.2411","0.0788","","0.1886","0.1326","","","","0.684","1.093","1.093","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117001","12.433","0.012","25.507","0.019","27.736","0.047","114.89","0.07","100.08","0.09","90.61","0.08","7821","17","298","2","298","2","","","","","","","see text","2","P -1","-P 1","2","","1,3-bis(heptaphenyl-1-naphthyl)benzene","","- C110 H74 -","- C110 H74 -","- C440 H296 -","4","2","","Ling Tong; Douglas M. Ho; Nancy J. Vogelaar; Clarence E. Schutt; Robert A. Pascal","The Albatrossenes: Large, Cleft-Containing, Polyphenyl Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","1997","119","","7291","7302","10.1021/ja971261k","","","1.54178","CuKα","","0.0704","0.0647","","0.1935","0.1831","","","","1.047","1.078","1.078","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117002","17.493","0.002","17.493","0.002","26.676","0.004","90","","90","","120","","7069.4","1.6","298","2","298","2","","","","","","","see text","5","P 32 2 1","P 32 2""","154","","1,3-Bis[4-(4-bromophenyl)-2,3,5,6,7,8-hexaphenyl-1-naphthyl]benzene . 2Dichloromethane . 4Methanol Solvate","","- C116 H92 Br2 Cl4 O4 -","- C110 H72 Br2 -","- C330 H216 Br6 -","3","0.5","","Ling Tong; Douglas M. Ho; Nancy J. Vogelaar; Clarence E. Schutt; Robert A. Pascal","The Albatrossenes: Large, Cleft-Containing, Polyphenyl Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","1997","119","","7291","7302","10.1021/ja971261k","","","0.71073","MoKα","","0.1764","0.0554","","0.1155","0.092","","","","0.609","1.011","1.011","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117003","24.802","0.031","27.15","0.024","33.258","0.042","90","","98.77","0.11","90","","22133","4","298","2","298","2","","","","","","","chemical synthesis","3","P 1 21/c 1","-P 2ybc","14","","1,3,5-Tris(pentaphenylphenyl)benzene","","- C116.5 H80.5 Cl7.5 -","- C114 H78 -","- C912 H624 -","8","2","","Ling Tong; Douglas M. Ho; Nancy J. Vogelaar; Clarence E. Schutt; Robert A. Pascal","The Albatrossenes: Large, Cleft-Containing, Polyphenyl Polycyclic Aromatic Hydrocarbons","Journal of the American Chemical Society","1997","119","","7291","7302","10.1021/ja971261k","","","1.54178","CuKα","","0.1269","0.1157","","0.3191","0.2978","","","","1.003","1.096","1.096","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117004","7.791","0.002","7.2907","0.001","12.399","0.0016","90","","96.33","0.02","90","","700","0.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-dihydro-1-hydroxy-2,3,1-benzodiazaborine","","- C7 H7 B N2 O -","- C7 H7 B N2 O -","- C28 H28 B4 N8 O4 -","4","1","","Michael P. Groziak; Liya Chen; Lin Yi; Paul D. Robinson","Planar Boron Heterocycles with Nucleic Acid-Like Hydrogen-Bonding Motifs","Journal of the American Chemical Society","1997","119","","7817","7826","10.1021/ja963784i","","","0.71069","MoKα","","","0.041","","","0.029","","","","","2.29","2.29","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117005","11.2028","0.0015","30.39","0.008","8.1221","0.0017","90","","90","","90","","2765.2","1","296","","296","","","","","","","","","5","F d d 2","F 2 -2d","43","","1-hydroxy-1H-2,3,1-benzoxazaborine","","- C7 H6 B N O2 -","- C7 H6 B N O2 -","- C112 H96 B16 N16 O32 -","16","1","","Michael P. Groziak; Liya Chen; Lin Yi; Paul D. Robinson","Planar Boron Heterocycles with Nucleic Acid-Like Hydrogen-Bonding Motifs","Journal of the American Chemical Society","1997","119","","7817","7826","10.1021/ja963784i","","","0.71069","MoKα","","","0.04","","","0.031","","","","","2.4","2.4","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117006","14.153","0.005","9.585","0.008","30.45","0.02","90","","96.18","0.04","90","","4107","5","273.2","","273.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H25 Cl F4 P Rh -","- C19 Cl F4 P Rh -","- C152 Cl8 F32 P8 Rh8 -","8","1","","Brian L. Edelbach; William D. Jones","Mechanism of Carbon-Fluorine Bond Activation by (C5Me5)Rh(PMe3)H2","Journal of the American Chemical Society","1997","119","","7734","7742","10.1021/ja970723r","","","0.7107","MoKalpha","","","0.0367","","","0.038","","","","","1.695","1.695","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117007","9.139","0.007","8.082","0.002","35.9","0.03","90","","93.95","0.06","90","","2645","3","233.2","","233.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl F9 P Rh -","- C25 Cl F9 P Rh -","- C100 Cl4 F36 P4 Rh4 -","4","1","","Brian L. Edelbach; William D. Jones","Mechanism of Carbon-Fluorine Bond Activation by (C5Me5)Rh(PMe3)H2","Journal of the American Chemical Society","1997","119","","7734","7742","10.1021/ja970723r","","","0.7107","MoKalpha","","","0.0491","","","0.0546","","","","","1.533","1.533","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117008","9.7329","0.001","8.3407","0.0009","31.741","0.003","90","","98.026","0.007","90","","2551.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Cl F7 O P Rh -","- C23 H26 Cl F7 O P Rh -","- C92 H104 Cl4 F28 O4 P4 Rh4 -","4","1","","Brian L. Edelbach; William D. Jones","Mechanism of Carbon-Fluorine Bond Activation by (C5Me5)Rh(PMe3)H2","Journal of the American Chemical Society","1997","119","","7734","7742","10.1021/ja970723r","","","0.71073","MoKα","","0.0813","0.0725","","0.1964","0.1901","","","","1.232","1.286","1.286","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117009","8.437","0.001","9.615","0.002","10.268","0.001","87.26","0.03","70.53","0.005","80.77","0.01","775.1","0.2","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H48 N12 Nb2 -","- C28 H48 N12 Nb2 -","- C28 H48 N12 Nb2 -","1","0.5","","F. Albert Cotton; John H. Matonic; Carlos A. Murillo","A New Type of Divalent Niobium Compound: The First Nb-Nb Triple Bond in a Tetragonal Lantern Environment","Journal of the American Chemical Society","1997","119","","7889","7890","10.1021/ja9715152","","","0.71073","MoKα","","0.0442","0.0392","","0.0927","0.0887","","","","1.081","1.081","1.081","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117010","6.328","0.003","16.743","0.008","21.03","0.02","90","","90","","90","","2228","3","213","2","213","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 O5 -","- C22 H38 O5 -","- C88 H152 O20 -","4","1","","Laura R. Cook; Hitoshi Oinuma; Marcus A. Semones; Yoshito Kishi","The Stereochemical Assignment and Conformational Analysis of the V/W-Ring Juncture of Maitotoxin","Journal of the American Chemical Society","1997","119","","7928","7937","10.1021/ja971259t","","","0.71073","MoKα","","0.1371","0.076","","0.1824","0.1409","","","","1.214","1.238","1.238","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117011","6.412","0.001","10.744","0.003","31.257","0.009","90","","90","","90","","2153.3","0.9","213","2","213","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 O5 -","- C22 H38 O5 -","- C88 H152 O20 -","4","1","","Laura R. Cook; Hitoshi Oinuma; Marcus A. Semones; Yoshito Kishi","The Stereochemical Assignment and Conformational Analysis of the V/W-Ring Juncture of Maitotoxin","Journal of the American Chemical Society","1997","119","","7928","7937","10.1021/ja971259t","","","0.71073","MoKα","","0.0523","0.0436","","0.1189","0.1059","","","","1.075","1.036","1.036","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117012","13.6105","0.0013","6.085","0.0006","20.975","0.002","90","","96.585","0.001","90","","1725.7","0.3","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H36 N4 O16 -","- C33 H36 N4 O16 -","- C66 H72 N8 O32 -","2","1","","Laura R. Cook; Hitoshi Oinuma; Marcus A. Semones; Yoshito Kishi","The Stereochemical Assignment and Conformational Analysis of the V/W-Ring Juncture of Maitotoxin","Journal of the American Chemical Society","1997","119","","7928","7937","10.1021/ja971259t","","","0.71073","MoKα","","0.1305","0.0896","","0.1661","0.1418","","","","1.622","1.673","1.673","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117013","5.7155","0.0005","11.0402","0.0011","28.497","0.003","90","","90","","90","","1798.2","0.3","213","2","213","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Laura R. Cook; Hitoshi Oinuma; Marcus A. Semones; Yoshito Kishi","The Stereochemical Assignment and Conformational Analysis of the V/W-Ring Juncture of Maitotoxin","Journal of the American Chemical Society","1997","119","","7928","7937","10.1021/ja971259t","","","0.71073","MoKα","","0.0977","0.0616","","0.1515","0.1234","","","","1.157","1.138","1.138","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117014","22.09","0.002","23.421","0.004","12.467","0.002","90","","90","","90","","6450.1","1.6","293","2","293","2","","","","","","","","3","F m m 2","F 2 -2","42","","Cs6Ge8Zn","","- Cs6 Ge8 Zn -","- Cs6 Ge8 Zn -","- Cs72 Ge96 Zn12 -","12","0.75","","Virginie Queneau; Slavi C. Sevov","Cs6Ge8Zn: A Zintl Phase with Isolated Heteroatomic Clusters of Ge8Zn","Journal of the American Chemical Society","1997","119","","8109","8110","10.1021/ja9717121","","","0.71073","MoKα","","0.1524","0.0795","","0.1995","0.144","","","","1.143","1.08","1.08","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117015","5.103","0.002","10.991","0.004","19.103","0.006","90","","90.77","","90","","1071.3","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 O3 -","- C11 H20 O3 -","- C44 H80 O12 -","4","1","","Jennifer L. Liras; Vincent M. Lynch; Eric V. Anslyn","The Ratio between Endocyclic and Exocyclic Cleavage of Pyranoside Acetals Is Dependent upon the Anomer, the Temperature, the Aglycon Group, and the Solvent","Journal of the American Chemical Society","1997","119","","8191","8200","10.1021/ja963807t","","","0.71073","MoKα","","0.1009","0.0476","","0.1095","0.0892","","","","1.006","1.106","1.106","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117016","7.245","0.002","14.727","0.003","14.835","0.004","90.18","0.02","92.9","0.02","90.02","0.02","1580.8","0.7","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H70 N4 O18 -","- C64 H70 N4 O18 -","- C64 H70 N4 O18 -","1","0.5","","P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick","Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins","Journal of the American Chemical Society","1997","119","","8492","8502","10.1021/ja971093w","","","0.71073","MoKα","","0.1971","0.1138","","0.3561","0.28","","","","1.06","1.102","1.102","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117017","11.105","0.004","25.744","0.007","14.022","0.003","90","","108.09","0.02","90","","3811","2","198","2","198","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C93 H65 N11 O8 -","- C93 H65 N11 O8 -","- C186 H130 N22 O16 -","2","0.5","","P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick","Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins","Journal of the American Chemical Society","1997","119","","8492","8502","10.1021/ja971093w","","","0.71073","MoKα","","0.1841","0.0622","","0.1755","0.1305","","","","1.06","1.164","1.164","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117018","13.736","0.003","14.032","0.003","17.029","0.003","93.77","0.03","110.92","0.03","111.81","0.03","2770.9","1.5","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H62 N4 O16 -","- C60 H62 N4 O16 -","- C120 H124 N8 O32 -","2","1","","P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick","Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins","Journal of the American Chemical Society","1997","119","","8492","8502","10.1021/ja971093w","","","0.71073","MoKα","","0.0878","0.0457","","0.1518","0.1129","","","","1.046","1.067","1.067","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117019","10.599","0.003","11.301","0.004","12.535","0.006","85.7","0.04","70.19","0.04","79.15","0.03","1387.2","1","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H60 N4 O16 Zn -","- C60 H60 N4 O16 Zn -","- C60 H60 N4 O16 Zn -","1","0.5","","P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick","Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins","Journal of the American Chemical Society","1997","119","","8492","8502","10.1021/ja971093w","","","0.71073","MoKα","","0.1498","0.0977","","0.2977","0.2515","","","","1.06","1.105","1.105","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117020","10.212","0.003","12.365","0.003","14.628","0.003","99.71","0.02","108.52","0.02","107.49","0.02","1597.6","0.8","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H66 Cl6 N4 O12 Zn -","- C62.992 H65.984 Cl6 N4 O11.998 Zn -","- C62.992 H65.984 Cl6 N4 O11.998 Zn -","1","0.5","","P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick","Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins","Journal of the American Chemical Society","1997","119","","8492","8502","10.1021/ja971093w","","","0.71073","MoKα","","0.1022","0.068","","0.2187","0.1883","","","","1.071","1.089","1.089","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117021","13.937","0.004","16.443","0.005","19.541","0.006","90","","106.71","0.02","90","","4289","2","198","2","198","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C95 H100 Cl Mn N4 O12 -","- C95 H100 Cl Mn N4 O12 -","- C190 H200 Cl2 Mn2 N8 O24 -","2","0.5","","P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick","Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins","Journal of the American Chemical Society","1997","119","","8492","8502","10.1021/ja971093w","","","0.71073","MoKα","","0.2283","0.0792","","0.2707","0.1738","","","","1.061","1.196","1.196","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117022","10.6237","0.0002","12.0664","0.0002","18.5999","0.0002","90.5938","0.0008","103.137","0.0008","94.1739","0.0004","2314.87","0.06","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H45 N O -","- C26 H45 N O -","- C104 H180 N4 O4 -","4","2","","D. Tyler McQuade; Sonya L. McKay; Douglas R. Powell; Samuel H. Gellman","Indifference to Hydrogen Bonding in a Family of Secondary Amides","Journal of the American Chemical Society","1997","119","","8528","8532","10.1021/ja9711019","","","0.71073","MoKα","","0.1319","0.0964","","0.1647","0.154","","","","1.299","1.406","1.406","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117023","14.173","0.0004","7.291","0.0002","30.045","0.0005","90","","90","","90","","3104.71","0.13","133","2","133","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H19 N O -","- C21 H19 N O -","- C168 H152 N8 O8 -","8","1","","D. Tyler McQuade; Sonya L. McKay; Douglas R. Powell; Samuel H. Gellman","Indifference to Hydrogen Bonding in a Family of Secondary Amides","Journal of the American Chemical Society","1997","119","","8528","8532","10.1021/ja9711019","","","0.71073","MoKα","","0.0961","0.0659","","0.1333","0.1158","","","","1.265","1.288","1.288","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117024","8.9722","0.0002","9.8641","0.0002","24.0202","0.0005","90","","90","","90","","2125.85","0.08","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O -","- C28 H25 N O -","- C112 H100 N4 O4 -","4","1","","D. Tyler McQuade; Sonya L. McKay; Douglas R. Powell; Samuel H. Gellman","Indifference to Hydrogen Bonding in a Family of Secondary Amides","Journal of the American Chemical Society","1997","119","","8528","8532","10.1021/ja9711019","","","0.71073","MoKα","","0.0365","0.0314","","0.0797","0.0741","","","","1.082","1.048","1.048","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117025","10.5912","0.0009","12.958","0.002","10.617","0.001","90","","92.696","0.009","90","","1455.5","0.3","294.2","","294.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Fe3 N16 -","- C24 H26 Fe2.5 N16 -","- C48 H52 Fe5 N32 -","2","0.5","","Steven J. Rettig; Alan Storr; David A. Summers; Robert C. Thompson; James Trotter","Transition Metal Azolates from Metallocenes. 2. Synthesis, X-ray Structure, and Magnetic Properties of a Three-Dimensional Polymetallic Iron(II) Imidazolate Complex, a Low-Temperature Weak Ferromagnet","Journal of the American Chemical Society","1997","119","","8675","8680","10.1021/ja971558i","","","0.7107","MoKα","","0.125","0.033","","0.037","0.031","","","","","1.53","1.53","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117026","6.43","0.001","16.119","0.002","9.118","0.001","90","","93.53","0.01","90","","943.2","0.2","294","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O -","- C11 H13 N O -","- C44 H52 N4 O4 -","4","1","","Ganesh Pandey; Saumen Hajra; Manas K. Ghorai; K. Ravi Kumar","Designing Photosystems for Harvesting Photons into Electrons by Sequential Electron-Transfer Processes: Reversing the Reactivity Profiles of α,β-Unsaturated Ketones as Carbon Radical Precursor by One Electron Reductive β-Activation","Journal of the American Chemical Society","1997","119","","8777","8787","10.1021/ja9641564","","","0.71073","MoKα","","","0.054","","","0.062","","","","","1.3","1.3","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117027","20.636","0.002","20.636","0.002","20.636","0.002","90","","90","","90","","8787.7","1.5","173","2","173","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C42 H64 B F4 N3 O7 Zn -","- C42 H63.99 B F4 N3 O7 Zn -","- C336 H511.92 B8 F32 N24 O56 Zn8 -","8","0.333333","","Achim Sokolowski; Jochen Müller; Thomas Weyhermüller; Robert Schnepf; Peter Hildebrandt; Knut Hildenbrand; Eberhard Bothe; Karl Wieghardt","Phenoxyl Radical Complexes of Zinc(II)","Journal of the American Chemical Society","1997","119","","8889","8900","10.1021/ja970417d","","","0.71073","MoKα","","0.0385","0.0352","","0.1065","0.0974","","","","1.055","1.054","1.054","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117028","12.118","0.002","19.723","0.003","19.266","0.003","90","","104.23","0.02","90","","4463.4","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47.5 H69 N3 O3 Zn -","- C47.5 H69 N3 O3 Zn -","- C190 H276 N12 O12 Zn4 -","4","1","","Achim Sokolowski; Jochen Müller; Thomas Weyhermüller; Robert Schnepf; Peter Hildebrandt; Knut Hildenbrand; Eberhard Bothe; Karl Wieghardt","Phenoxyl Radical Complexes of Zinc(II)","Journal of the American Chemical Society","1997","119","","8889","8900","10.1021/ja970417d","","","0.71073","MoKα","","0.0577","0.0479","","0.1336","0.1206","","","","1.025","1.041","1.041","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117029","15.389","0.003","11.236","0.002","18.449","0.003","90","","100.7","0.03","90","","3134.6","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H45 N3 O4 Zn -","- C35 H45 N3 O4 Zn -","- C140 H180 N12 O16 Zn4 -","4","1","","Achim Sokolowski; Jochen Müller; Thomas Weyhermüller; Robert Schnepf; Peter Hildebrandt; Knut Hildenbrand; Eberhard Bothe; Karl Wieghardt","Phenoxyl Radical Complexes of Zinc(II)","Journal of the American Chemical Society","1997","119","","8889","8900","10.1021/ja970417d","","","0.71073","MoKα","","0.1047","0.049","","0.1013","0.0826","","","","0.989","1.05","1.05","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117030","28.055","0.002","11.721","0.001","9.883","0.001","90","","98.84","0.01","90","","3211.2","0.5","178","2","178","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C144 H176 O32 -","8","1","","Michael P. Doyle; Chad S. Peterson; Marina N. Protopopova; Alan B. Marnett; Dann L. Parker; Doina G. Ene; Vincent Lynch","Macrocycle Formation by Catalytic Intramolecular Cyclopropanation. A New General Methodology for the Synthesis of Macrolides","Journal of the American Chemical Society","1997","119","","8826","8837","10.1021/ja971687z","","","0.71073","MoKα","","0.0635","0.043","","0.1094","0.0985","","","","1.022","1.077","1.077","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117031","6.914","0.001","11.787","0.003","5.614","0.001","90","","100.4","0.01","90","","450","0.15","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ammonium dinitramide","","- H4 N4 O4 -","- H4 N4 O4 -","- H16 N16 O16 -","4","1","","Richard Gilardi; J. Flippen-Anderson; Clifford George; Ray J. Butcher","A New Class of Flexible Energetic Salts: The Crystal Structures of the Ammonium, Lithium, Potassium, and Cesium Salts of Dinitramide","Journal of the American Chemical Society","1997","119","","9411","9416","10.1021/ja9709280","","","0.71073","MoKα","","0.0426","0.0307","","0.0888","0.0714","","","","1.028","1.084","1.084","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117032","5.9164","0.0004","5.9164","0.0004","19.712","0.003","90","","90","","90","","689.99","0.12","223","2","223","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","Lithium dinitramide","","- Li N3 O4 -","- Li N3 O4 -","- Li8 N24 O32 -","8","0.5","","Richard Gilardi; J. Flippen-Anderson; Clifford George; Ray J. Butcher","A New Class of Flexible Energetic Salts: The Crystal Structures of the Ammonium, Lithium, Potassium, and Cesium Salts of Dinitramide","Journal of the American Chemical Society","1997","119","","9411","9416","10.1021/ja9709280","","","1.54178","CuKα","","0.0464","0.0409","","0.1112","0.1068","","","","1.155","1.193","1.193","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117033","6.614","0.001","9.28","0.002","7.198","0.001","90","","97.58","0.01","90","","437.94","0.13","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Potassium dinitramide","","- K N3 O4 -","- K N3 O4 -","- K4 N12 O16 -","4","1","","Richard Gilardi; J. Flippen-Anderson; Clifford George; Ray J. Butcher","A New Class of Flexible Energetic Salts: The Crystal Structures of the Ammonium, Lithium, Potassium, and Cesium Salts of Dinitramide","Journal of the American Chemical Society","1997","119","","9411","9416","10.1021/ja9709280","","","1.54178","CuKα","","0.0297","0.0281","","0.0966","0.0798","","","","1.089","1.101","1.101","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117034","7.74","0.002","9.059","0.002","14.818","0.004","90","","90","","90","","1039","0.5","233","2","233","2","","","","","","","","3","P c 21 b","P -2bc -2c","29","","","","- Cs N3 O4 -","- Cs N3 O4 -","- Cs8 N24 O32 -","8","2","","Richard Gilardi; J. Flippen-Anderson; Clifford George; Ray J. Butcher","A New Class of Flexible Energetic Salts: The Crystal Structures of the Ammonium, Lithium, Potassium, and Cesium Salts of Dinitramide","Journal of the American Chemical Society","1997","119","","9411","9416","10.1021/ja9709280","","","0.71073","MoKα","","0.0197","0.0169","","0.0492","0.0416","","","","1.086","1.097","1.097","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117035","6.637","0.003","23.275","0.014","7.86","0.005","90","","113.21","0.05","90","","1115.9","1.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3,5,7-Pentanitrocubane","","- C8 H3 N5 O10 -","- C8 H3 N5 O10 -","- C32 H12 N20 O40 -","4","1","","Kirill A. Lukin; Jianchang Li; Philip E. Eaton; Nobuhiro Kanomata; Jürgen Hain; Eric Punzalan; Richard Gilardi","Synthesis and Chemistry of 1,3,5,7-Tetranitrocubane Including Measurement of Its Acidity, Formation of o-Nitro Anions, and the First Preparations of Pentanitrocubane and Hexanitrocubane 1","Journal of the American Chemical Society","1997","119","","9591","9602","10.1021/ja970552q","","","1.54178","CuKα","","0.1136","0.0668","","0.2497","0.1647","","","","1.109","1.1","1.1","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117036","13.0102","0.0007","7.7242","0.0006","18.0758","0.0012","90","","95.404","0.007","90","","1808.4","0.2","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2,3,4,5,7-Hexanitrocubane acetonitrile solvate (two solvent molecules per cubane molecule)","","- C12 H8 N8 O12 -","- C12 H8 N8 O12 -","- C48 H32 N32 O48 -","4","0.5","","Kirill A. Lukin; Jianchang Li; Philip E. Eaton; Nobuhiro Kanomata; Jürgen Hain; Eric Punzalan; Richard Gilardi","Synthesis and Chemistry of 1,3,5,7-Tetranitrocubane Including Measurement of Its Acidity, Formation of o-Nitro Anions, and the First Preparations of Pentanitrocubane and Hexanitrocubane 1","Journal of the American Chemical Society","1997","119","","9591","9602","10.1021/ja970552q","","","1.54178","CuKα","","0.0407","0.0393","","0.1062","0.1057","","","","1.159","1.166","1.166","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117037","12.996","0.002","14.1381","0.0008","11.3306","0.0013","90","","90","","90","","2081.9","0.4","213","2","213","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Cr3 N12 -","- C40.5 H31 Cl3.5 Cr3 N12 -","- C81 H62 Cl7 Cr6 N24 -","2","0.5","","Cotton, F. Albert; Daniels, Lee M.; Murillo, Carlos A.; Pascual, Isabel","Compounds with Linear, Bonded Trichromium Chains","Journal of the American Chemical Society","1997","119","42","10223","10224","10.1021/ja971998+","","","0.71073","MoKα","","0.0644","0.0557","","0.151","0.1438","","","","1.401","1.417","1.417","","","","","has coordinates,has disorder","270159","2021-10-29","11:47:50",""
"4117038","19.114","0.002","16.746","0.001","15.6554","0.001","90","","110.92","0.01","90","","4680.7","0.7","213","2","213","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H34 B Cl3 Cr3 F4 N12 -","- C42 H36 B Cl5 Cr3 F4 N12 -","- C168 H144 B4 Cl20 Cr12 F16 N48 -","4","0.5","","Cotton, F. Albert; Daniels, Lee M.; Murillo, Carlos A.; Pascual, Isabel","Compounds with Linear, Bonded Trichromium Chains","Journal of the American Chemical Society","1997","119","42","10223","10224","10.1021/ja971998+","","","0.71073","MoKα","","0.0378","0.0353","","0.0907","0.0881","","","","1.053","1.065","1.065","","","","","has coordinates,has disorder","270159","2021-10-29","11:47:50",""
"4117039","23.8784","0.0014","29.488","0.001","14.244","0.008","90","","90","","90","","10030","6","213","2","213","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H50 B2 Cl4 Cr3 F9 N12 -","- C39.1111 H28.4444 B1.77778 Cl2.22222 Cr2.66667 F8 N10.6667 -","- C352 H256 B16 Cl20 Cr24 F72 N96 -","9","2.25","","Cotton, F. Albert; Daniels, Lee M.; Murillo, Carlos A.; Pascual, Isabel","Compounds with Linear, Bonded Trichromium Chains","Journal of the American Chemical Society","1997","119","42","10223","10224","10.1021/ja971998+","","","0.71073","MoKα","","0.103","0.0792","","0.2349","0.2028","","","","1.101","1.074","1.074","","","","","has coordinates","270159","2021-10-29","11:47:50",""
"4117040","15.5579","0.0006","11.2565","0.0004","19.1583","0.0007","90","","111.84","0.002","90","","3114.3","0.2","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C78 H90 B2 N4 -","- C78 H90 B2 N4 -","- C156 H180 B4 N8 -","2","0.5","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge-Localized p-Phenylenedihydrazine Radical Cations: ESR and Optical Studies of Intramolecular Electron Transfer Rates","Journal of the American Chemical Society","1997","119","","10213","10222","10.1021/ja9720321","","","0.71073","MoKα","","0.0693","0.0569","","0.1263","0.1193","","","","1.25","1.287","1.287","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117041","7.6781","0.0004","13.128","0.0008","21.1967","0.0012","90","","92.418","0.002","90","","2134.7","0.2","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 B N2 -","- C24 H28 B N2 -","- C96 H112 B4 N8 -","4","1","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge-Localized p-Phenylenedihydrazine Radical Cations: ESR and Optical Studies of Intramolecular Electron Transfer Rates","Journal of the American Chemical Society","1997","119","","10213","10222","10.1021/ja9720321","","","0.71073","MoKα","","0.074","0.0518","","0.1206","0.1032","","","","1.154","1.127","1.127","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117042","9.5607","0.0002","13.7553","0.0002","25.5637","0.0002","90","","96.846","0.002","90","","3337.92","0.09","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H92 B2 N6 -","- C80 H92 B2 N6 -","- C160 H184 B4 N12 -","2","0.5","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge-Localized p-Phenylenedihydrazine Radical Cations: ESR and Optical Studies of Intramolecular Electron Transfer Rates","Journal of the American Chemical Society","1997","119","","10213","10222","10.1021/ja9720321","","","0.71073","MoKα","","0.0787","0.0502","","0.1284","0.1141","","","","1.025","1.082","1.082","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117043","20.713","0.0003","9.6069","0.0002","23.0974","0.0004","90","","100.102","0.002","90","","4524.85","0.14","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H70 B N4 -","- C54.0135 H70.0225 B N4.0018 -","- C216.054 H280.09 B4 N16.0072 -","4","1","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge-Localized p-Phenylenedihydrazine Radical Cations: ESR and Optical Studies of Intramolecular Electron Transfer Rates","Journal of the American Chemical Society","1997","119","","10213","10222","10.1021/ja9720321","","","0.71073","MoKα","","0.0845","0.0643","","0.1524","0.1372","","","","1.178","1.208","1.208","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117044","13.372","0.007","12.838","0.008","18.645","0.012","90","","110.98","0.04","90","","2989","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H34 Cl6 N4 O4 Pt2 -","- C18 H4 Cl6 N4 O4 Pt2 -","- C72 H16 Cl24 N16 O16 Pt8 -","4","1","","Giuliano Bandoli; Paola A. Caputo; Francesco P. Intini; Maria F. Sivo; Giovanni Natile","Synthesis and X-ray Structural Characterization of Two Unbridged Diplatinum(III) Compounds: cis- and trans-Bis[bis(1-imino-1-methoxyethane)trichloroplatinum(III)]. Transient Species in the Oxidation of Platinum(II) to Platinum(IV)","Journal of the American Chemical Society","1997","119","","10370","10376","10.1021/ja964170g","","","0.71073","MoKα","","0.1131","0.0536","","0.16","0.1238","","","","0.687","0.811","0.811","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117045","11.218","0.009","11.649","0.011","22.995","0.019","90","","95.94","0.07","90","","2989","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H34 Cl6 N4 O4 Pt2 -","- C18 Cl6 N4 O4 Pt2 -","- C72 Cl24 N16 O16 Pt8 -","4","0.5","","Giuliano Bandoli; Paola A. Caputo; Francesco P. Intini; Maria F. Sivo; Giovanni Natile","Synthesis and X-ray Structural Characterization of Two Unbridged Diplatinum(III) Compounds: cis- and trans-Bis[bis(1-imino-1-methoxyethane)trichloroplatinum(III)]. Transient Species in the Oxidation of Platinum(II) to Platinum(IV)","Journal of the American Chemical Society","1997","119","","10370","10376","10.1021/ja964170g","","","0.71073","MoKα","","0.1167","0.0661","","0.2215","0.1578","","","","0.994","1.117","1.117","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117046","9.1222","0.0002","10.1711","0.0002","10.5369","0.0001","63.696","0.001","84.25","","89.698","0.001","871.16","0.03","198","2","198","2","","","","","","","","7","P -1","-P 1","2","","2,3'-dicyanodiphenylacetylene silver(I) triflate","","- C17 H8 Ag F3 N2 O3 S -","- C17 H8 Ag F3 N2 O3 S -","- C34 H16 Ag2 F6 N4 O6 S2 -","2","1","","Keith A. Hirsch; Scott R. Wilson; Jeffrey S. Moore","Association of Dicyanodiphenylacetylenes with Silver(I) Salts in Solution and Solid State: Electrospray Ionization Mass Spectrometry Samples Aggregates at Subsaturated Concentrations","Journal of the American Chemical Society","1997","119","","10401","10412","10.1021/ja971135g","","","0.71073","MoKα","","0.0424","0.0334","","0.0739","0.0666","","","","1.143","1.1","1.1","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117047","7.5089","0.0004","9.8145","0.0005","11.22","0.0006","69.995","0.001","80.16","","83.517","0.002","764.22","0.07","293","2","198","2","","","","","","","","6","P -1","-P 1","2","","2,3'-dicyanodiphenylacetylene silver(I) perchlorate","","- C16 H8 Ag Cl N2 O4 -","- C16 H8 Ag Cl N2 O4 -","- C32 H16 Ag2 Cl2 N4 O8 -","2","1","","Keith A. Hirsch; Scott R. Wilson; Jeffrey S. Moore","Association of Dicyanodiphenylacetylenes with Silver(I) Salts in Solution and Solid State: Electrospray Ionization Mass Spectrometry Samples Aggregates at Subsaturated Concentrations","Journal of the American Chemical Society","1997","119","","10401","10412","10.1021/ja971135g","","","0.71073","MoKα","","0.0576","0.0429","","0.0957","0.0842","","","","1.239","1.202","1.202","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117048","8.62","0.0005","10.5473","0.0005","10.8146","0.0004","62.106","0.002","88.499","0.003","86.486","0.002","867.36","0.07","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","2.3'-dicyanodiphenylacetylene silver(I) hexafluoroantimonate","","- C16 H8 Ag F6 N2 Sb -","- C16 H8 Ag F6 N2 Sb -","- C32 H16 Ag2 F12 N4 Sb2 -","2","1","","Keith A. Hirsch; Scott R. Wilson; Jeffrey S. Moore","Association of Dicyanodiphenylacetylenes with Silver(I) Salts in Solution and Solid State: Electrospray Ionization Mass Spectrometry Samples Aggregates at Subsaturated Concentrations","Journal of the American Chemical Society","1997","119","","10401","10412","10.1021/ja971135g","","","0.71073","MoKα","","0.1116","0.0682","","0.1508","0.1196","","","","1.16","1.17","1.17","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117049","12.9134","0.0015","19.849","0.002","6.8919","0.0008","90","","90","","90","","1766.5","0.3","198","2","198","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","2,2'-dicyanodiphenylacetylene silver(I) triflate","","- C17 H8 Ag F3 N2 O3 S -","- C17 H8 Ag F3 N2 O3 S -","- C68 H32 Ag4 F12 N8 O12 S4 -","4","0.5","","Keith A. Hirsch; Scott R. Wilson; Jeffrey S. Moore","Association of Dicyanodiphenylacetylenes with Silver(I) Salts in Solution and Solid State: Electrospray Ionization Mass Spectrometry Samples Aggregates at Subsaturated Concentrations","Journal of the American Chemical Society","1997","119","","10401","10412","10.1021/ja971135g","","","0.71073","MoKα","","0.114","0.0506","","0.1044","0.0824","","","","1.117","1.177","1.177","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117050","10.5845","0.0003","14.5015","0.0001","11.9019","0.0003","90","","107.4","0.001","90","","1743.24","0.07","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2,4'-dicyanodiphenylacetylene silver(I) triflate","","- C17 H8 Ag F3 N2 O3 S -","- C17 H8 Ag F3 N2 O3 S -","- C68 H32 Ag4 F12 N8 O12 S4 -","4","1","","Keith A. Hirsch; Scott R. Wilson; Jeffrey S. Moore","Association of Dicyanodiphenylacetylenes with Silver(I) Salts in Solution and Solid State: Electrospray Ionization Mass Spectrometry Samples Aggregates at Subsaturated Concentrations","Journal of the American Chemical Society","1997","119","","10401","10412","10.1021/ja971135g","","","0.71073","MoKα","","0.0644","0.0409","","0.1092","0.0945","","","","1.043","1.066","1.066","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117051","12.8145","0.0009","13.955","0.001","11.166","0.0009","90","","90","","90","","1996.8","0.3","168","2","168","2","","","","","","","synthesis","5","P n n 2","P 2 -2n","34","","","","- C42 H36 Cl6 Co3 N12 -","- C41 H32 Cl4 Co3 N12 -","- C82 H64 Cl8 Co6 N24 -","2","0.5","","F. Albert Cotton; Lee M. Daniels; Glenn T. Jordan; Carlos A. Murillo","Symmetrical and Unsymmetrical Compounds Having a Linear Co36+ Chain Ligated by a Spiral Set of Dipyridyl Anions","Journal of the American Chemical Society","1997","119","","10377","10381","10.1021/ja971997h","","","0.71073","MoKα","","0.0468","0.0325","","0.0836","0.0775","","","","1.035","1.046","1.046","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117052","13.803","0.008","13.803","0.002","14.946","0.0003","90","","90","","90","","2847.6","1.7","213","2","213","2","","","","","","","synthesis","5","P 4/n :2","-P 4a","85","","","","- C60 H48 Cl2 Co4 N18 -","- C60 H48 Cl2 Co4 N18 -","- C120 H96 Cl4 Co8 N36 -","2","0.25","","F. Albert Cotton; Lee M. Daniels; Glenn T. Jordan; Carlos A. Murillo","Symmetrical and Unsymmetrical Compounds Having a Linear Co36+ Chain Ligated by a Spiral Set of Dipyridyl Anions","Journal of the American Chemical Society","1997","119","","10377","10381","10.1021/ja971997h","","","0.71073","MoKα","","0.0503","0.0393","","0.0993","0.0908","","","","1.112","1.128","1.128","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117053","18.777","0.007","16.538","0.002","15.455","0.006","90","","109.73","0.02","90","","4518","3","168","2","168","2","","","","","","","synthesis","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 B Cl5 Co3 F4 N12 -","- C42 H32 B Cl5 Co3 F4 N12 -","- C168 H128 B4 Cl20 Co12 F16 N48 -","4","0.5","","F. Albert Cotton; Lee M. Daniels; Glenn T. Jordan; Carlos A. Murillo","Symmetrical and Unsymmetrical Compounds Having a Linear Co36+ Chain Ligated by a Spiral Set of Dipyridyl Anions","Journal of the American Chemical Society","1997","119","","10377","10381","10.1021/ja971997h","","","0.71073","MoKα","","0.101","0.0422","","0.1135","0.0954","","","","1.022","1.142","1.142","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117054","20.594","0.002","13.754","0.004","18.937","0.004","90","","114.76","0.02","90","","4871","2","213","2","213","2","","","","","","","synthesis","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 B2 Cl4 Co3 F8 N12 -","- C42 H32 B2 Cl4 Co3 F8 N12 -","- C168 H128 B8 Cl16 Co12 F32 N48 -","4","1","","F. Albert Cotton; Lee M. Daniels; Glenn T. Jordan; Carlos A. Murillo","Symmetrical and Unsymmetrical Compounds Having a Linear Co36+ Chain Ligated by a Spiral Set of Dipyridyl Anions","Journal of the American Chemical Society","1997","119","","10377","10381","10.1021/ja971997h","","","0.71073","MoKα","","0.095","0.07","","0.1686","0.1482","","","","1.067","1.077","1.077","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117055","17.221","0.004","13.147","0.001","17.332","0.003","90","","106.29","0.01","90","","3766.5","1.1","293","2","127","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","octaehthylporphyrin diacid, perchlorate salt","","","- C144 H192 Cl8 N16 O32 -","- C144 H192 Cl8 N16 O32 -","- C144 H192 Cl8 N16 O32 -","1","0.25","","Beisong Cheng; Orde Q. Munro; Helder M. Marques; W. Robert Scheidt","An Analysis of Porphyrin Molecular Flexibility Use of Porphyrin Diacids","Journal of the American Chemical Society","1997","119","","10732","10742","10.1021/ja9716214","","","0.71073","MoKα","","0.1317","0.069","","0.1898","0.154","","","","1.046","1.154","1.154","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117056","8.074","0.002","31.411","0.015","17.021","0.006","90","","98.17","0.04","90","","4273","3","293","2","127","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetraphenylporhyrin dicacid, perchorate salt","","","- C200 H152 Cl8 N16 O32 -","- C200 H152 Cl8 N16 O32 -","- C200 H152 Cl8 N16 O32 -","1","0.25","","Beisong Cheng; Orde Q. Munro; Helder M. Marques; W. Robert Scheidt","An Analysis of Porphyrin Molecular Flexibility Use of Porphyrin Diacids","Journal of the American Chemical Society","1997","119","","10732","10742","10.1021/ja9716214","","","0.71073","MoKα","","0.2523","0.1073","","0.2745","0.2087","","","","1.011","1.296","1.296","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117057","14.288","0.003","19.153","0.011","19.622","0.009","97.8","0.01","99.16","0.02","98.12","0.02","5179","4","127","1","293","2","","","","","","","","6","P -1","-P 1","2","tetramesitylporphyrin diacid, perchlorate salt","","","- C228 H223.84 Cl7.92 N16 O33.68 Zn0.04 -","- C228 H223.84 Cl7.92 N16 O33.68 Zn0.04 -","- C228 H223.84 Cl7.92 N16 O33.68 Zn0.04 -","1","0.5","","Beisong Cheng; Orde Q. Munro; Helder M. Marques; W. Robert Scheidt","An Analysis of Porphyrin Molecular Flexibility Use of Porphyrin Diacids","Journal of the American Chemical Society","1997","119","","10732","10742","10.1021/ja9716214","","","0.71073","MoKα","","0.1422","0.0796","","0.2112","0.1752","","","","1.043","1.169","1.169","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117058","9.154","0.002","10.377","0.002","11.362","0.002","90","","93.69","0.03","90","","1077.1","0.4","218","2","218","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","Wolfram W. Sander; Götz Bucher; Holger Wandel; Elfi Kraka; Dieter Cremer; William S. Sheldrick","Photochemistry of p-Benzoquinone Diazide Carboxylic Acids: Formation of 2,4-Didehydrophenols","Journal of the American Chemical Society","1997","119","","10660","10672","10.1021/ja971731a","","","0.71073","MoKα","","0.1389","0.0609","","0.1596","0.1274","","","","0.907","1.143","1.143","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117059","16.0335","0.0003","17.4135","0.0001","18.3742","0.0003","90","","90","","90","","5130.06","0.13","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H40 Ni P2 S -","- C26 H40 Ni P2 S -","- C208 H320 Ni8 P16 S8 -","8","1","","David A. Vicic; William D. Jones","Room-Temperature Desulfurization of Dibenzothiophene Mediated by [(i-Pr2PCH2)2NiH]2","Journal of the American Chemical Society","1997","119","","10855","10856","10.1021/ja972544f","","","0.71073","MoKα","","0.0616","0.0485","","0.086","0.082","","","","1.226","1.261","1.261","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117060","16.3477","0.0001","16.6742","0.0002","17.2145","0.0001","118.508","0.001","92.706","0.001","104.855","0.001","3905.41","0.08","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H65 F6 Ni2 P5 S -","- C28 H65 F6 Ni2 P5 S -","- C112 H260 F24 Ni8 P20 S4 -","4","2","","David A. Vicic; William D. Jones","Room-Temperature Desulfurization of Dibenzothiophene Mediated by [(i-Pr2PCH2)2NiH]2","Journal of the American Chemical Society","1997","119","","10855","10856","10.1021/ja972544f","","","0.71073","MoKα","","0.0796","0.0558","","0.1297","0.1176","","","","1.045","1.119","1.119","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117061","9.295","0.004","19.67","0.01","8.886","0.006","94.36","0.03","102.95","0.04","87.04","0.04","1577.7","1.5","288.2","","288.2","","","","","","","","cyclen-attached uracil , picric adic","4","P -1","-P 1","2","cyclen-attached uracil dipicrate","","","- C25 H32 N12 O17 -","- C25 H32 N12 O17 -","- C50 H64 N24 O34 -","2","1","","Eiichi Kimura; Hideyuki Kitamura; Tohru Koike; Motoo Shiro","Facile and Selective Electrostatic Stabilization of Uracil N(1)-Anion by a Proximate Protonated Amine: A Chemical Implication for Why Uracil N(1) Is Chosen for Glycosylation Site","Journal of the American Chemical Society","1997","119","","10909","10919","10.1021/ja972129n","","","0.7107","MoKα","","","0.0541","","","0.081","","","","","1.79","1.79","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117062","9.461","0.003","13.156","0.004","8.687","0.002","101.21","0.02","103.55","0.02","73.21","0.02","997","0.5","296.2","","296.2","","","","","","","","cyclen-attached uracil, zinc perchlorate","6","P -1","-P 1","2","cyclen-attached uracil zinc complex","","","- C13 H25 Cl N6 O7 Zn -","- C13 H25 Cl N6 O7 Zn -","- C26 H50 Cl2 N12 O14 Zn2 -","2","1","","Eiichi Kimura; Hideyuki Kitamura; Tohru Koike; Motoo Shiro","Facile and Selective Electrostatic Stabilization of Uracil N(1)-Anion by a Proximate Protonated Amine: A Chemical Implication for Why Uracil N(1) Is Chosen for Glycosylation Site","Journal of the American Chemical Society","1997","119","","10909","10919","10.1021/ja972129n","","","1.5418","CuKα","","","0.0626","","","0.093","","","","","1.782","1.782","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117063","8.5231","0.0013","8.5231","0.0013","32.956","0.007","90","","90","","90","","2394","0.7","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","(Me5CpMoCl)2B4H7","","- C20 H37 B3 Cl2 Mo2 -","- C20 H37 B3 Cl2 Mo2 -","- C80 H148 B12 Cl8 Mo8 -","4","0.5","","Simon Aldridge; Maoyu Shang; Thomas P. Fehlner","Origins of Unsaturation in Group 6 Metallaboranes. Synthesis, Crystal Structure, and Molecular Orbital Calculations for (Cp*MoCl)2B3H7 (Cp* = Pentamethylcyclopentadienyl)","Journal of the American Chemical Society","1997","119","","11120","11121","10.1021/ja972685h","","","0.71073","MoKα","","0.0542","0.042","","0.1053","0.0944","","","","1.143","1.104","1.104","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117064","24.8856","0.0006","18.6662","0.0005","45.7427","0.0012","90","","93.545","0.001","90","","21207.7","0.9","159","2","293","2","","","","","","","synthetic","6","P 1 21/n 1","-P 2yn","14","[(Bis-(tetrra-n-butylammonium))-hexa((η4-1,5-cyclooctadienyl)iridium)- tetratungstate 4-acetonitrile solvate]","","","- C88 H156 Ir6 N6 O16 W4 -","- C88 H118.92 Ir6 N6 O16 W4 -","- C704 H951.36 Ir48 N48 O128 W32 -","8","2","","Yoshihito Hayashi; Frank Müller; Yin Lin; Susie M. Miller; Oren P. Anderson; Richard G. Finke","2CH3CN@(n-Bu4N)2[{Ir(1,5-COD)}6W4O16].2CH3CN: A Hybrid Inorganic-Organometallic, Flexible Cavity Host, Acetonitrile-Guest Complex Composed of a [W4O4]n+ Tetratungstate Cube and Six Polyoxoanion-Supported (1,5-COD)Ir+ Organometallic Groups","Journal of the American Chemical Society","1997","119","","11401","11407","10.1021/ja970336h","","","0.71073","MoKα","","0.1197","0.0655","","0.1811","0.134","","","","1.048","1.097","1.097","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117065","23.0436","0.0009","23.0436","0.0009","12.0745","0.0007","90","","90","","90","","6411.7","0.5","173","2","173","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Br1.89 H17.2 O8.6 -","- Br2.162 H32.2 O8.64 -","- Br43.24 H644 O172.8 -","20","1.25","","Konstantin A. Udachin; Gary D. Enright; Christopher I. Ratcliffe; John A. Ripmeester","Structure, Stoichiometry, and Morphology of Bromine Hydrate","Journal of the American Chemical Society","1997","119","","11481","11486","10.1021/ja971206b","","","0.71073","MoKα","","0.0747","0.0484","","","0.0747","0.0853","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117066","11.738","0.002","12.183","0.002","15.259","0.003","107.9","0.03","109.15","0.03","95.55","0.03","1913.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H58 F3 O2 P2 Pd -","- C38 H58 F3 O2 P2 Pd -","- C76 H116 F6 O4 P4 Pd2 -","2","1","","Manuela Ohff; Andreas Ohff; Milko E. van der Boom; David Milstein","Highly Active Pd(II) PCP-Type Catalysts for the Heck Reaction","Journal of the American Chemical Society","1997","119","","11687","11688","10.1021/ja9729692","","","0.71073","MoKα","","0.0944","0.0645","","0.1799","0.1523","","","","1.052","1.083","1.083","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117067","7.6495","0.0003","18.7062","0.0002","24.6703","0.0005","90","","90","","90","","3530.15","0.16","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34.73 H47.47 N4 O6.87 S -","- C34.736 H47.472 N4 O6.868 S -","- C138.944 H189.888 N16 O27.472 S4 -","4","1","","Susanne Krauthäuser; Laurie A. Christianson; Douglas R. Powell; Samuel H. Gellman","Antiparallel Sheet Formation in β-Peptide Foldamers: Effects of β-Amino Acid Substitution on Conformational Preference1","Journal of the American Chemical Society","1997","119","","11719","11720","10.1021/ja9730627","","","0.71073","MoKα","","0.1294","0.067","","0.1789","0.1466","","","","1.034","1.153","1.153","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117068","6.7552","0.0008","10.4554","0.0011","10.4455","0.0011","62.819","0.006","71.815","0.006","83.688","0.005","623.03","0.13","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10 Cu0.5 N6 Na O9 -","- C6 H10 Cu0.5 N6 Na O9 -","- C12 H20 Cu N12 Na2 O18 -","2","1","","Falvello, Larry R.; Pascual, Isabel; Tomás, Milagros; Urriolabeitia, Esteban P.","The Cyanurate Ribbon in Structural Coordination Chemistry: An Aggregate Structure That Persists across Different Coordination Environments and Structural Types","Journal of the American Chemical Society","1997","119","49","11894","11902","10.1021/ja970297+","","","0.71073","MoKα","","0.0438","0.0319","","0.0779","0.0732","","","","1.113","1.154","1.154","","","","","has coordinates","270158","2021-10-29","11:41:33",""
"4117069","5.031","0.001","6.989","0.001","9.12","0.002","90.04","0.03","98.01","0.03","110.84","0.03","296.33","0.12","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Cu N8 O6 -","- C6 H10 Cu N8 O6 -","- C6 H10 Cu N8 O6 -","1","0.5","","Falvello, Larry R.; Pascual, Isabel; Tomás, Milagros; Urriolabeitia, Esteban P.","The Cyanurate Ribbon in Structural Coordination Chemistry: An Aggregate Structure That Persists across Different Coordination Environments and Structural Types","Journal of the American Chemical Society","1997","119","49","11894","11902","10.1021/ja970297+","","","0.71073","MoKα","","0.0286","0.0265","","0.073","0.0705","","","","1.18","1.181","1.181","","","","","has coordinates","270158","2021-10-29","11:41:37",""
"4117070","7.143","0.001","8.683","0.002","11.602","0.002","102.12","0.03","101.24","0.03","106.22","0.03","650.4","0.3","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 Cu2 N18 O12 -","- C12 Cu2 N18 O12 -","- C12 Cu2 N18 O12 -","1","0.5","","Falvello, Larry R.; Pascual, Isabel; Tomás, Milagros; Urriolabeitia, Esteban P.","The Cyanurate Ribbon in Structural Coordination Chemistry: An Aggregate Structure That Persists across Different Coordination Environments and Structural Types","Journal of the American Chemical Society","1997","119","49","11894","11902","10.1021/ja970297+","","","0.71073","MoKα","","0.107","0.0813","","0.3366","0.2626","","","","1.121","1.029","1.029","","","","","has coordinates","270158","2021-10-29","11:41:47",""
"4117071","12.05","0.002","7.266","0.002","15.971","0.002","90","","90","","90","","1398.3","0.5","298","2","298","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H32 N20 Ni2 O12 -","- C12 H32 N20 Ni2 O12 -","- C24 H64 N40 Ni4 O24 -","2","0.125","","Falvello, Larry R.; Pascual, Isabel; Tomás, Milagros; Urriolabeitia, Esteban P.","The Cyanurate Ribbon in Structural Coordination Chemistry: An Aggregate Structure That Persists across Different Coordination Environments and Structural Types","Journal of the American Chemical Society","1997","119","49","11894","11902","10.1021/ja970297+","","","0.71073","MoKα","","0.0285","0.0265","","0.0756","0.0743","","","","1.158","1.171","1.171","","","","","has coordinates","270158","2021-10-29","11:41:47",""
"4117072","6.334","0.001","16.022","0.002","7.017","0.001","90","","114.13","0.02","90","","649.88","0.19","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 N10 Ni O6 -","- C6 H14 N8 Ni O8 -","- C12 H28 N16 Ni2 O16 -","2","0.5","","Falvello, Larry R.; Pascual, Isabel; Tomás, Milagros; Urriolabeitia, Esteban P.","The Cyanurate Ribbon in Structural Coordination Chemistry: An Aggregate Structure That Persists across Different Coordination Environments and Structural Types","Journal of the American Chemical Society","1997","119","49","11894","11902","10.1021/ja970297+","","","0.71073","MoKα","","0.0482","0.041","","0.1156","0.1025","","","","1.029","1.057","1.057","","","","","has coordinates","270158","2021-10-29","11:41:47",""
"4117073","11.645","0.001","13.44","0.002","16.561","0.002","102.051","0.008","97.585","0.009","113.132","0.009","2264.1","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H34 Cl6 Cu N3 O3 P2 -","- C41 H33 Cl6 Cu N3 O3 P2 -","- C82 H66 Cl12 Cu2 N6 O6 P4 -","2","1","","Falvello, Larry R.; Pascual, Isabel; Tomás, Milagros; Urriolabeitia, Esteban P.","The Cyanurate Ribbon in Structural Coordination Chemistry: An Aggregate Structure That Persists across Different Coordination Environments and Structural Types","Journal of the American Chemical Society","1997","119","49","11894","11902","10.1021/ja970297+","","","0.71073","MoKα","","0.1891","0.0685","","0.1491","0.1096","","","","1.078","1.203","1.203","","","","","has coordinates","270158","2021-10-29","11:41:47",""
"4117074","20.82","0.006","20.82","0.006","11.68","0.005","90","","90","","120","","4385","3","183","2","183","2","","","","","","","","5","P 63","P 6c","173","","","","- C21 H50 Mo N4 Si3 -","- C21 H50 Mo N4 Si3 -","- C126 H300 Mo6 N24 Si18 -","6","1","","Richard R. Schrock; Scott W. Seidel; Nadia C. Mösch-Zanetti; Keng-Yu Shih; Myra B. O'Donoghue; William M. Davis; William M. Reiff","Synthesis and Decomposition of Alkyl Complexes of Molybdenum(IV) That Contain a [(Me3SiNCH2CH2)3N]3- Ligand. Direct Detection of α-Elimination Processes That Are More than Six Orders of Magnitude Faster than β-Elimination Processes","Journal of the American Chemical Society","1997","119","","11876","11893","10.1021/ja970697x","","","0.71073","MoKα","","0.067","0.0569","","0.1702","0.1488","","","","1.113","1.142","1.142","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117075","8.972","0.003","17.308","0.004","15.398","0.003","90","","100.61","0.03","90","","2350.2","1.1","188","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H38 Mo N4 Si3 -","- C15 H38 Mo N4 Si3 -","- C60 H152 Mo4 N16 Si12 -","4","1","","Richard R. Schrock; Scott W. Seidel; Nadia C. Mösch-Zanetti; Keng-Yu Shih; Myra B. O'Donoghue; William M. Davis; William M. Reiff","Synthesis and Decomposition of Alkyl Complexes of Molybdenum(IV) That Contain a [(Me3SiNCH2CH2)3N]3- Ligand. Direct Detection of α-Elimination Processes That Are More than Six Orders of Magnitude Faster than β-Elimination Processes","Journal of the American Chemical Society","1997","119","","11876","11893","10.1021/ja970697x","","","0.71073","MoKα","","0.0242","0.0231","","0.0583","0.0572","","","","1.125","1.126","1.126","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117076","17.3528","0.0001","9.6851","0.0002","15.9445","0.0003","90","","110.621","0.001","90","","2508","0.07","183","2","183","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H42 Mo N4 Si3 -","- C16 H42 Mo N4 Si3 -","- C64 H168 Mo4 N16 Si12 -","4","1","","Richard R. Schrock; Scott W. Seidel; Nadia C. Mösch-Zanetti; Keng-Yu Shih; Myra B. O'Donoghue; William M. Davis; William M. Reiff","Synthesis and Decomposition of Alkyl Complexes of Molybdenum(IV) That Contain a [(Me3SiNCH2CH2)3N]3- Ligand. Direct Detection of α-Elimination Processes That Are More than Six Orders of Magnitude Faster than β-Elimination Processes","Journal of the American Chemical Society","1997","119","","11876","11893","10.1021/ja970697x","","","0.71073","MoKα","","0.0799","0.066","","0.1148","0.1096","","","","1.085","1.119","1.119","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117077","20.951","0.004","10.999","0.002","12.05","0.002","90","","90","","90","","2776.8","0.9","188","2","188","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C16 H39 F3 Mo N4 O3 S Si3 -","- C16 H39 F3 Mo N4 O3 S Si3 -","- C64 H156 F12 Mo4 N16 O12 S4 Si12 -","4","1","","Richard R. Schrock; Scott W. Seidel; Nadia C. Mösch-Zanetti; Keng-Yu Shih; Myra B. O'Donoghue; William M. Davis; William M. Reiff","Synthesis and Decomposition of Alkyl Complexes of Molybdenum(IV) That Contain a [(Me3SiNCH2CH2)3N]3- Ligand. Direct Detection of α-Elimination Processes That Are More than Six Orders of Magnitude Faster than β-Elimination Processes","Journal of the American Chemical Society","1997","119","","11876","11893","10.1021/ja970697x","","","0.71073","MoKα","","0.0644","0.0486","","0.1542","0.1068","","","","0.996","1.016","1.016","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117078","7.459","0.001","14.509","0.003","23.751","0.005","90","","90","","90","","2570.4","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-bis(m-bromophenyl)formamidine","","- C13 H10 Br2 N2 -","- C13 H10 Br2 N2 -","- C104 H80 Br16 N16 -","8","1","","Romana Anulewicz; Iwona Wawer; Tadeusz Marek Krygowski; Ferdinand Männle; Hans-Heinrich Limbach","Combined X-ray Diffraction and15N CPMAS NMR Study of Molecular Structure and Proton Order/Disorder Phenomena in Cyclic N,N'-Bisarylformamidine Dimers","Journal of the American Chemical Society","1997","119","","12223","12230","10.1021/ja970699h","","","1.54178","CuKα","","0.0819","0.0751","","0.2669","0.2377","","","","1.109","1.153","1.153","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117079","10.882","0.002","10.93","0.002","11.326","0.002","69.51","0.03","65.7","0.03","72.12","0.03","1128.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","2","","Romana Anulewicz; Iwona Wawer; Tadeusz Marek Krygowski; Ferdinand Männle; Hans-Heinrich Limbach","Combined X-ray Diffraction and 15N CPMAS NMR Study of Molecular Structure and Proton Order/Disorder Phenomena in Cyclic N,N'-Bisarylformamidine Dimers","Journal of the American Chemical Society","1997","119","","12223","12230","10.1021/ja970699h","","","1.54178","CuKα","","0.0655","0.0455","","0.1383","0.1156","","","","0.928","0.947","0.947","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117080","9.925","0.002","10.232","0.002","14.98","0.003","93.12","0.03","106.8","0.03","107.76","0.03","1369.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","2","","Romana Anulewicz; Iwona Wawer; Tadeusz Marek Krygowski; Ferdinand Männle; Hans-Heinrich Limbach","Combined X-ray Diffraction and 15N CPMAS NMR Study of Molecular Structure and Proton Order/Disorder Phenomena in Cyclic N,N'-Bisarylformamidine Dimers","Journal of the American Chemical Society","1997","119","","12223","12230","10.1021/ja970699h","","","1.54178","CuKα","","0.0701","0.061","","0.1774","0.1507","","","","1.057","1.082","1.082","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117081","6.099","0.001","10.519","0.002","10.122","0.002","93.17","0.03","96.34","0.03","80.99","0.03","637","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 N2 -","- C15 H16 N2 -","- C30 H32 N4 -","2","1","","Romana Anulewicz; Iwona Wawer; Tadeusz Marek Krygowski; Ferdinand Männle; Hans-Heinrich Limbach","Combined X-ray Diffraction and15N CPMAS NMR Study of Molecular Structure and Proton Order/Disorder Phenomena in Cyclic N,N'-Bisarylformamidine Dimers","Journal of the American Chemical Society","1997","119","","12223","12230","10.1021/ja970699h","","","1.54178","CuKα","","0.0874","0.0683","","0.1873","0.1725","","","","1.02","1.053","1.053","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117082","7.674","0.002","8.575","0.002","10.489","0.002","76.28","0.03","79.46","0.03","78.13","0.03","649.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C26 H20 N8 O8 -","2","1","","Romana Anulewicz; Iwona Wawer; Tadeusz Marek Krygowski; Ferdinand Männle; Hans-Heinrich Limbach","Combined X-ray Diffraction and15N CPMAS NMR Study of Molecular Structure and Proton Order/Disorder Phenomena in Cyclic N,N'-Bisarylformamidine Dimers","Journal of the American Chemical Society","1997","119","","12223","12230","10.1021/ja970699h","","","1.54178","CuKα","","0.1071","0.0533","","0.1776","0.1449","","","","0.988","1.165","1.165","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117083","15.335","0.005","20.333","0.007","23.562","0.005","90","","90","","90","","7347","4","296.2","","296.2","","","","","","","","prepared bis(2,2'-biphenylylene)sulfurane/XeF2/BF3.OEt2","6","P b c n","-P 2n 2ab","60","bis(2,2'-biphenylylene)sulfuranyl bis(tetrafluoroborate)","","","- C36 H24 B3 F12 O1.33 S1.5 -","- C36 H24 B2.5 F12.06 O1.34 S1.25 -","- C288 H192 B20 F96.48 O10.72 S10 -","8","1","","Soichi Sato; Hitomi Ameta; Ernst Horn; Ohgi Takahashi; Naomichi Furukawa","First Isolation and Molecular Structure of Bis(2,2'-biphenylylene)sulfuranyl Bis(tetrafluoroborate) [8-S-4(C4)]2+","Journal of the American Chemical Society","1997","119","","12374","12375","10.1021/ja971336k","","","0.7107","MoKα","","","0.0879","","","0.0833","","","","","2.096","2.096","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117084","3.8496","0.001","7.9577","0.0007","15.528","0.0018","90","","95.963","0.014","90","","473.11","0.14","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 Cl2 N2 S4 -","- C6 Cl2 N2 S4 -","- C12 Cl4 N4 S8 -","2","0.5","","T. M. Barclay; A. W. Cordes; J. D. Goddard; R. C. Mawhinney; R. T. Oakley; K. E. Preuss; R. W. Reed","Benzo-Bridged Bis(1,2,3-dithiazoles) and Their Selenium Analogues. Preparation, Molecular and Electronic Structures, and Redox Chemistry","Journal of the American Chemical Society","1997","119","","12136","12141","10.1021/ja972927d","","","0.7093","MolybdenumKα","","0.039","0.038","","0.032","0.032","","","","","1.2","1.2","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117085","7.2015","0.0006","7.2286","0.0009","11.2841","0.001","104.746","0.009","100.965","0.008","99.638","0.008","543.09","0.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C6 Al2 Cl10 N2 S4 -","- C6 Al2 Cl10 N2 S4 -","- C6 Al2 Cl10 N2 S4 -","1","0.5","","T. M. Barclay; A. W. Cordes; J. D. Goddard; R. C. Mawhinney; R. T. Oakley; K. E. Preuss; R. W. Reed","Benzo-Bridged Bis(1,2,3-dithiazoles) and Their Selenium Analogues. Preparation, Molecular and Electronic Structures, and Redox Chemistry","Journal of the American Chemical Society","1997","119","","12136","12141","10.1021/ja972927d","","","0.7093","MolybdenumKα","","0.041","0.041","","0.055","0.054","","","","","1.01","1.01","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117086","7.478","0.004","3.9733","0.0017","15.875","0.009","90","","90.33","0.04","90","","471.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 Cl2 N2 S2 Se2 -","- C6 Cl2 N2 S2 Se2 -","- C12 Cl4 N4 S4 Se4 -","2","0.5","","T. M. Barclay; A. W. Cordes; J. D. Goddard; R. C. Mawhinney; R. T. Oakley; K. E. Preuss; R. W. Reed","Benzo-Bridged Bis(1,2,3-dithiazoles) and Their Selenium Analogues. Preparation, Molecular and Electronic Structures, and Redox Chemistry","Journal of the American Chemical Society","1997","119","","12136","12141","10.1021/ja972927d","","","0.7093","MolybdenumK/a","","0.0889","0.0889","","0.2162","0.2122","","","","","1.07","1.07","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117087","9.1189","0.0013","12.0258","0.0019","9.8823","0.001","90","","92.368","0.01","90","","1082.8","0.3","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 Al2 Cl10 N2 S2 Se2 -","- C6 Al2 Cl10 N2 S2 Se2 -","- C12 Al4 Cl20 N4 S4 Se4 -","2","0.5","","T. M. Barclay; A. W. Cordes; J. D. Goddard; R. C. Mawhinney; R. T. Oakley; K. E. Preuss; R. W. Reed","Benzo-Bridged Bis(1,2,3-dithiazoles) and Their Selenium Analogues. Preparation, Molecular and Electronic Structures, and Redox Chemistry","Journal of the American Chemical Society","1997","119","","12136","12141","10.1021/ja972927d","","","0.7093","MolybdenumKα","","0.057","0.057","","0.071","0.071","","","","","1.99","1.99","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117088","15.065","0.002","13.986","0.001","17.565","0.003","90","","101.59","0.007","90","","3625.5","0.8","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C75.71 H66.43 Cl5.43 N9 O16 Zn -","- C75.714 H66.428 Cl5.428 N9 O16 Zn -","- C151.428 H132.856 Cl10.856 N18 O32 Zn2 -","2","1","","Marinella Mazzanti; Jean-Claude Marchon; Maoyu Shang; W. Robert Scheidt; Songling Jia; John A. Shelnutt","A Pyridine-Sensitive Venus Flytrap Porphyrin","Journal of the American Chemical Society","1997","119","","12400","12401","10.1021/ja972947f","","","0.71073","MoKα","","0.0665","0.0551","","0.1385","0.1299","","","","1.045","1.053","1.053","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117089","20.687","0.001","13.872","0.001","12.332","0.001","90","","90","","90","","3538.9","0.4","130","2","130","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","Zn(T-m-NPCP)(EtOH).1.02CH2Cl2","","- C71.03 H58.06 Cl2.05 N8 O17 Zn -","- C71.024 H56 Cl2.048 N8 O17 Zn -","- C142.048 H112 Cl4.096 N16 O34 Zn2 -","2","0.5","","Marinella Mazzanti; Jean-Claude Marchon; Maoyu Shang; W. Robert Scheidt; Songling Jia; John A. Shelnutt","A Pyridine-Sensitive Venus Flytrap Porphyrin","Journal of the American Chemical Society","1997","119","","12400","12401","10.1021/ja972947f","","","0.71073","MoKα","","0.0792","0.0669","","0.2004","0.1866","","","","1.073","1.082","1.082","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117090","14.132","0.003","18.519","0.007","12.177","0.005","102.13","0.03","95.35","0.03","95.6","0.02","3079.6","1.9","23","","","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H71 O4 P2 Rh -","- C76 H71 O4 P2 Rh -","- C152 H142 O8 P4 Rh2 -","2","1","","Kohtaro Osakada; Jun-chul Choi; Takakazu Yamamoto","π-Allylic Rhodium Complex Catalyzed Living Copolymerization of Arylallenes with Carbon Monoxide To Give Structurally Regulated Polyketones","Journal of the American Chemical Society","1997","119","","12390","12391","10.1021/ja971856f","","","0.71069","MoKα","","","0.062","","","","0.044","","","","","","3.23","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117091","10.843","0.002","11.223","0.005","11.654","0.003","99.64","0.03","96.75","0.02","111.05","0.03","1280.3","0.8","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C34 H27 N -","- C34 H27 N -","- C68 H54 N2 -","2","1","","Diego Armesto; Olga Caballero; Ulises Amador","Novel Photorearrangements of 2-Aza-1,4-dienes To Produce Vinylaziridines and Cyclopropylimines","Journal of the American Chemical Society","1997","119","","12659","12660","10.1021/ja972054n","","","0.71069","Mo(Kalpha)","","","0.042","","","","0.04","","","","","","0.47","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117092","6.154","0.001","16.585","0.003","15.461","0.004","90","","91.44","0.01","90","","1577.5","0.6","23","","","","","","","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 O4 -","- C38 H40 O4 -","- C76 H80 O8 -","2","0.5","","Kazuhisa Hiratani; Kazuyuki Kasuga; Midori Goto; Hirotaka Uzawa","Tandem Claisen Rearrangement: A Novel, One-Step Synthesis of Calixarene Analogues from Macrocyclic Polyethers","Journal of the American Chemical Society","1997","119","","12677","12678","10.1021/ja9722887","","","1.5418","CuKα","","","0.066","","","0.08","","","","","2.8","2.8","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117093","11.018","0.002","11.137","0.002","12.817","0.002","109.31","0.01","96.7","0.01","116.34","0.01","1264","0.4","23","","","","","","","","","","synthesis","3","P -1","-P 1","2","","","","- C54 H64 O12 -","- C54 H64 O12 -","- C54 H64 O12 -","1","0.5","","Kazuhisa Hiratani; Kazuyuki Kasuga; Midori Goto; Hirotaka Uzawa","Tandem Claisen Rearrangement: A Novel, One-Step Synthesis of Calixarene Analogues from Macrocyclic Polyethers","Journal of the American Chemical Society","1997","119","","12677","12678","10.1021/ja9722887","","","0.71073","MoKα","","","0.0613","","","0.1025","","","","","1.251","1.251","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117094","6.551","0.003","5.651","0.003","7.347","0.004","90","","90","","90","","272","0.2","123","2","123","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Formic acid - hydrogen fluoride (1/1)","","- C H3 F O2 -","- C H3 F O2 -","- C4 H12 F4 O8 -","4","0.5","","Dirk Wiechert; Dietrich Mootz; Thomas Dahlems","The Formic Acid 1D Array with H Bonds All Reversed: Structure of a Cocrystal with Hydrogen Fluoride1,2","Journal of the American Chemical Society","1997","119","","12665","12666","10.1021/ja972337f","","","0.71073","MoKα","","0.045","0.0386","","0.1281","0.1139","","","","1.203","1.165","1.165","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117095","11.5996","0.0002","7.0079","0.0002","28.4827","0.0006","90","","98.176","0.001","90","","2291.79","0.09","173","2","173","2","","","","","","","Prof. A. Sykes - USD","4","P 1 21/n 1","-P 2yn","14","97139","","","- C22 H25 Cl O12 -","- C22 H25 Cl O12 -","- C88 H100 Cl4 O48 -","4","1","","Victor G. Young; Heidi L. Quiring; Andrew G. Sykes","A Luminescent Sensor Responsive to Common Oxoacids: X-ray Crystal Structure of [H3O.1,8- Oxybis(ethyleneoxyethyleneoxy)anthracene-9,10-dione]ClO4","Journal of the American Chemical Society","1997","119","","12477","12480","10.1021/ja9727124","","","0.71073","MoKα","","0.0773","0.0517","","0.1407","0.1244","","","","1.056","1.138","1.138","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117096","15.627","0.002","10.872","0.001","16.462","0.002","90","","90","","90","","2796.8","0.6","213","2","213","2","","","","","","","Compound was prepared by stirring a suspension of [Bu4N]2[Re2Cl8] in benzene with an excess of PMe3 for 6 hours at room temperature. Single crystals were obtained by slow diffusion of isomeric hexanes into dichloromethane solution.","5","P b c a","-P 2ac 2ab","61","Bis(μ2-chloro)-tetrachloro-tetrakis(trimethylphosphine)- -di-rhenium (III)","Bis((μ2-chloro)-bis(dichloro-bis(trimethylphosphine))-di- rhenium (III)","","- C12 H36 Cl6 P4 Re2 -","- C12 H36 Cl6 P4 Re2 -","- C48 H144 Cl24 P16 Re8 -","4","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride Phosphine Complexes of Dirhenium Cores. 1. New Reactions and Unprecedented Structures Involving Trimethylphosphine","Journal of the American Chemical Society","1997","119","","12541","12549","10.1021/ja9733245","","","0.71073","MoKα","","0.0311","0.0256","","0.0728","0.0591","","","","1.16","1.159","1.159","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117097","9.101","0.002","14.526","0.003","9.3519","0.0009","90","","91.24","0.01","90","","1236","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tetrachloro-tetrakis(trimethylphosphine)-di-rhenium (II)","Bis(dichloro-bis(trimethylphosphine))-di-rhenium (II)","","- C12 H36 Cl4 P4 Re2 -","- C12 H36 Cl4 P4 Re2 -","- C24 H72 Cl8 P8 Re4 -","2","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride Phosphine Complexes of Dirhenium Cores. 1. New Reactions and Unprecedented Structures Involving Trimethylphosphine","Journal of the American Chemical Society","1997","119","","12541","12549","10.1021/ja9733245","","","0.71073","MoKα","","0.0466","0.0377","","0.1042","0.0967","","","","1.081","1.117","1.117","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117098","12.3336","0.0009","12.3336","0.0009","12.3336","0.0009","90","","90","","90","","1876.2","0.2","213","2","213","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Hexachloro-bis(trimethylphosphine)-di-rhenium (III)","Bis(trichloro-trimethylphosphine)-di-rhenium (III)","","- C6 H18 Cl6 P2 Re2 -","- C6 H18 Cl6 P2 Re1.98 -","- C24 H72 Cl24 P8 Re7.92 -","4","0.166667","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride Phosphine Complexes of Dirhenium Cores. 1. New Reactions and Unprecedented Structures Involving Trimethylphosphine","Journal of the American Chemical Society","1997","119","","12541","12549","10.1021/ja9733245","","","0.71073","MoKα","","0.0237","0.0237","","0.0469","0.0469","","","","1.24","1.241","1.241","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117099","9.7929","0.0008","20.9698","0.0015","8.8836","0.0006","101.143","0.003","102.256","0.004","86.064","0.002","1748.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Tetrakis(triphenylphosphine oxide)-diethynylbenzene-bis(water) clathrate","","","- C82 H70 O6 P4 -","- C82 H70 O6 P4 -","- C82 H70 O6 P4 -","1","0.5","","Benson M. Kariuki; Kenneth D. M. Harris; Douglas Philp; James M. A. Robinson","A Triphenylphoshine Oxide-Water Aggregate Facilitates an Exceptionally Short C-H...O Hydrogen Bond","Journal of the American Chemical Society","1997","119","","12679","12680","10.1021/ja973506z","","","0.71069","MoKα","","0.0514","0.048","","0.1141","0.1115","","","","1.126","1.135","1.135","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4123933","27.96","","17.877","","32.13","","90","","90.28","","90","","16059.7","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(H3 O)12 ((H2 O) Mo O2.5 (Mo36 O108 (N O)4 (H2 O)16) O2.5 Mo (H2 O)) (H2 O)44","","- H160 Mo38 N4 O191 -","- Mo38 N4 O191 -","- Mo152 N16 O764 -","4","0.5","","Zhang, S.-W.; Wei, Y.-G.; Yu, Q.; Shao, M.-C.; Tang, Y.-Q.","Toward quantum line-self-assembly process of nanomolecular building blocks leading to a novel one-dimensional nanomolecular polymer: single-crystal X-ray structure of ((H3 O)(+)12 ((H2 O) Mo O2.5 (Mo 36 O108 (N O)4 (H2 O)16) O2.5 Mo (H2 O))(12-)","Journal of the American Chemical Society","1997","119","","6440","6441","","","","","","","","","","","","","","","","","","","","","","has coordinates","141208","2020-10-21","18:00:00",""
"4323272","11.938","0.001","18.583","0.003","17.606","0.002","90","","106.54","0.06","90","","3744.2","1.4","213","2","213","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","cis,cis-Tetrachloro-bis(t-butylamido)-bis(diphenyl- phosphino)ethane ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(t-butylamido)-(cis,cis)- 1,2-bis(diphenylphosphino)ethane ditungsten(III)","","- C34 H44 Cl4 N2 P2 W2 -","- C34 H44 Cl4 N2 P2 W2 -","- C136 H176 Cl16 N8 P8 W8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NHR)2(PR'3)2 Molecules. 3. Bidentate Phosphine Complexes of Bis(tert-butylamido)tetrachloroditungsten. Preparation and Structural Characterization of cis,cis-W2Cl4(NHCMe3)2(L-L) (L-L = dmpm, dmpe, dppm, dppe)","Inorganic Chemistry","1997","36","","80","85","10.1021/ic960906z","","","0.71073","MoKα","","0.0615","0.0496","","0.127","0.1171","","","","1.123","1.155","1.155","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323273","13.807","0.001","11.835","0.002","15.348","0.001","90","","109.19","0.02","90","","2368.6","0.5","123","2","123","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","cis,cis-Tetrachloro-bis(t-butylamido)-bis(dimethyl- phosphino)methane ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(t-butylamido)-(cis,cis)-1,2- bis(dimethylphosphino)methane ditungsten(III)","","- C13 H34 Cl4 N2 P2 W2 -","- C13 H34 Cl4 N2 P2 W2 -","- C52 H136 Cl16 N8 P8 W8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NHR)2(PR'3)2 Molecules. 3. Bidentate Phosphine Complexes of Bis(tert-butylamido)tetrachloroditungsten. Preparation and Structural Characterization of cis,cis-W2Cl4(NHCMe3)2(L-L) (L-L = dmpm, dmpe, dppm, dppe)","Inorganic Chemistry","1997","36","","80","85","10.1021/ic960906z","","","0.71073","MoKα","","0.0388","0.0324","","0.0879","0.0832","","","","1.119","1.137","1.137","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323274","14.144","0.002","11.991","0.001","15.662","0.002","90","","109.5","0.01","90","","2503.9","0.5","293","2","293","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","cis-Tetrachloro-bis(t-butylamido)-dimethylphosphinoethan ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(t-butylamido)-(cis)-1,2- dimethylphosphinoethan ditungsten(III)","","- C14 H36 Cl4 N2 P2 W2 -","- C14 H36 Cl4 N2 P2 W2 -","- C56 H144 Cl16 N8 P8 W8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NHR)2(PR'3)2 Molecules. 3. Bidentate Phosphine Complexes of Bis(tert-butylamido)tetrachloroditungsten. Preparation and Structural Characterization of cis,cis-W2Cl4(NHCMe3)2(L-L) (L-L = dmpm, dmpe, dppm, dppe)","Inorganic Chemistry","1997","36","","80","85","10.1021/ic960906z","","","1.54184","CuKα","","0.0424","0.0343","","0.095","0.0878","","","","1.103","1.119","1.119","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323275","18.777","0.006","10.273","0.002","21.082","0.003","90","","94.11","0.06","90","","4056.2","1.7","213","2","213","2","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","cis,cis-Tetrachloro-bis(t-butylamido)-bis(diphenyl- phosphino)methane ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(t-butylamido)-(cis,cis)- 1,2-bis(diphenylphosphino)methane ditungsten(III)","","- C34 H44 Cl6 N2 P2 W2 -","- C34 H44 Cl6.004 N2 P2 W2 -","- C136 H176 Cl24.016 N8 P8 W8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NHR)2(PR'3)2 Molecules. 3. Bidentate Phosphine Complexes of Bis(tert-butylamido)tetrachloroditungsten. Preparation and Structural Characterization of cis,cis-W2Cl4(NHCMe3)2(L-L) (L-L = dmpm, dmpe, dppm, dppe)","Inorganic Chemistry","1997","36","","80","85","10.1021/ic960906z","","","0.71073","MoKα","","0.0555","0.042","","0.0979","0.0912","","","","1.068","1.091","1.091","","","","","has coordinates,has disorder","179335","2020-10-21","18:00:00",""
"4323276","13.718","0.003","4.962","0.001","16.643","0.003","90","","92.46","0.03","90","","1131.8","0.4","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","number 4","","","- C22 H34 Ni O4 -","- C22 H34 Ni O4 -","- C44 H68 Ni2 O8 -","2","0.5","","A. Döhring; R. Goddard; P. W. Jolly; C. Krüger; V. R. Polyakov","Monomer-Trimer Isomerism in 3-Substituted Pentane-2,4-dione Derivatives of Nickel(II)","Inorganic Chemistry","1997","36","","177","183","10.1021/ic960441c","","","1.54178","CuKα","","0.0619","0.0532","","0.1574","0.1487","","","","1.061","1.112","1.112","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323277","4.8449","0.0005","8.3202","0.0008","16.7918","0.0011","89.48","0.004","88.24","0.004","77.299","0.01","660.01","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","number 5","","","- C26 H42 Ni O4 -","- C26 H42 Ni O4 -","- C26 H42 Ni O4 -","1","0.5","","A. Döhring; R. Goddard; P. W. Jolly; C. Krüger; V. R. Polyakov","Monomer-Trimer Isomerism in 3-Substituted Pentane-2,4-dione Derivatives of Nickel(II)","Inorganic Chemistry","1997","36","","177","183","10.1021/ic960441c","","","1.54178","CuKα","","0.0564","0.0524","","0.1538","0.1504","","","","1.153","1.186","1.186","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323278","4.8067","0.0002","8.2809","0.0003","19.4014","0.0007","90.974","0.004","91.907","0.004","102.495","0.004","753.31","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","number 6","","","- C30 H50 Ni O4 -","- C30 H50 Ni O4 -","- C30 H50 Ni O4 -","1","0.5","","A. Döhring; R. Goddard; P. W. Jolly; C. Krüger; V. R. Polyakov","Monomer-Trimer Isomerism in 3-Substituted Pentane-2,4-dione Derivatives of Nickel(II)","Inorganic Chemistry","1997","36","","177","183","10.1021/ic960441c","","","1.54178","CuKα","","0.0465","0.0447","","0.1309","0.1292","","","","1.07","1.092","1.092","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323279","4.9447","0.0004","8.0649","0.0007","9.0633","0.0006","109.377","0.006","93.706","0.007","106.283","0.007","322.28","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","number 9","","","- C12 H18 Ni O4 -","- C12 H18 Ni O4 -","- C12 H18 Ni O4 -","1","0.5","","A. Döhring; R. Goddard; P. W. Jolly; C. Krüger; V. R. Polyakov","Monomer-Trimer Isomerism in 3-Substituted Pentane-2,4-dione Derivatives of Nickel(II)","Inorganic Chemistry","1997","36","","177","183","10.1021/ic960441c","","","1.54178","CuKα","","0.0632","0.0625","","0.2127","0.2124","","","","1.226","1.24","1.24","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323280","10.2261","0.0005","6.6439","0.0003","13.7862","0.0007","90","","93.677","0.006","90","","934.72","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","number 9","","","- C22 H22 Ni O4 -","- C22 H22 Ni O4 -","- C44 H44 Ni2 O8 -","2","0.5","","A. Döhring; R. Goddard; P. W. Jolly; C. Krüger; V. R. Polyakov","Monomer-Trimer Isomerism in 3-Substituted Pentane-2,4-dione Derivatives of Nickel(II)","Inorganic Chemistry","1997","36","","177","183","10.1021/ic960441c","","","1.54178","CuKα","","0.0353","0.0339","","0.0982","0.0968","","","","1.037","1.043","1.043","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323281","12.792","0.001","6.503","0.001","14.933","0.001","90","","109.025","0.007","90","","1174.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","number 11","","","- C26 H30 Ni O4 -","- C26 H30 Ni O4 -","- C52 H60 Ni2 O8 -","2","0.5","","A. Döhring; R. Goddard; P. W. Jolly; C. Krüger; V. R. Polyakov","Monomer-Trimer Isomerism in 3-Substituted Pentane-2,4-dione Derivatives of Nickel(II)","Inorganic Chemistry","1997","36","","177","183","10.1021/ic960441c","","","1.54178","CuKα","","0.0428","0.0401","","0.1159","0.114","","","","1.046","1.08","1.08","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323282","19.2961","0.0006","6.8561","0.0002","7.5935","0.0002","90","","90","","90","","1004.59","0.05","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","MeCOC(Ph):C(Me)OH","","","- C11 H12 O2 -","- C11 H12 O2 -","- C44 H48 O8 -","4","0.5","","A. Döhring; R. Goddard; P. W. Jolly; C. Krüger; V. R. Polyakov","Monomer-Trimer Isomerism in 3-Substituted Pentane-2,4-dione Derivatives of Nickel(II)","Inorganic Chemistry","1997","36","","177","183","10.1021/ic960441c","","","1.54178","CuKα","","0.0756","0.0708","","0.2381","0.2317","","","","1.154","1.207","1.207","","","","","has coordinates,has disorder","179335","2020-10-21","18:00:00",""
"4323283","9.713","0.001","17.55","0.001","17.391","0.001","90","","100.272","0.005","90","","2917","0.4","","","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","number 12","","","- C16 H26 Ni O6 -","- C16 H26 Ni O6 -","- C96 H156 Ni6 O36 -","6","1.5","","A. Döhring; R. Goddard; P. W. Jolly; C. Krüger; V. R. Polyakov","Monomer-Trimer Isomerism in 3-Substituted Pentane-2,4-dione Derivatives of Nickel(II)","Inorganic Chemistry","1997","36","","177","183","10.1021/ic960441c","","","1.54178","CuKα","","0.0491","0.036","","0.0919","0.0867","","","","0.991","1.055","1.055","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323284","10.5917","0.0007","12.3092","0.0008","12.5926","0.0005","103.937","0.004","96.388","0.003","96.227","0.005","1567.89","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","number 13","","","- C22 H22 Ni O4 -","- C22 H22 Ni O4 -","- C66 H66 Ni3 O12 -","3","1.5","","A. Döhring; R. Goddard; P. W. Jolly; C. Krüger; V. R. Polyakov","Monomer-Trimer Isomerism in 3-Substituted Pentane-2,4-dione Derivatives of Nickel(II)","Inorganic Chemistry","1997","36","","177","183","10.1021/ic960441c","","","1.54178","CuKα","","0.0463","0.0383","","0.111","0.1075","","","","1.045","1.113","1.113","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323285","10.536","0.002","11.433","0.002","19.125","0.003","98.01","0.01","89.94","0.01","112.22","0.01","2108.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","lithium-μ-dicyclohexylphosphido-P,P-heptacarbonyl-dirhenium-benzoylate water bis-tetrahydrofurane solvate","","- C34 H46 Li O11 P Re2 -","- C34 H43 Li O11 P Re2 -","- C68 H86 Li2 O22 P2 Re4 -","2","1","","Hans-Jürgen Haupt; Meinhard Schwefer; Hans Egold; Ulrich Flörke","Stepwise Synthesis of the Functionalized Metallatetrahedron Re~2~(AuPPh~3~)~2~(μ-PCy~2~)(CO)~7~X (X = Cl, Br, I)","Inorganic Chemistry","1997","36","","184","188","10.1021/ic9606690","","","0.71073","MoKα","","0.0912","0.0537","","0.1705","0.1401","","","","1.054","1.071","1.071","","","","","has coordinates,has disorder","179335","2020-10-21","18:00:00",""
"4323286","18.615","0.005","13.606","0.002","24.223","0.006","90","","105.14","0.02","90","","5922","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","μ-dicyclohexylphosphido-P,P-bis(triphenylphosphido-gold)- chloro-heptacarbonyl-dirhenium dichloromethane solvate","","- C56 H54 Au2 Cl3 O7 P3 Re2 -","- C56 H54 Au2 Cl3 O7 P3 Re2 -","- C224 H216 Au8 Cl12 O28 P12 Re8 -","4","1","","Hans-Jürgen Haupt; Meinhard Schwefer; Hans Egold; Ulrich Flörke","Stepwise Synthesis of the Functionalized Metallatetrahedron Re~2~(AuPPh~3~)~2~(μ-PCy~2~)(CO)~7~X (X = Cl, Br, I)","Inorganic Chemistry","1997","36","","184","188","10.1021/ic9606690","","","0.71073","MoKα","","0.1936","0.0744","","0.1596","0.1194","","","","0.97","1.111","1.111","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323287","37.952","0.004","18.382","0.003","10.368","0.002","90","","93.97","0.02","90","","7216","2","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H42 Cl2 N2 O P3 W -","- C280 H336 Cl16 N16 O8 P24 W8 -","- C280 H336 Cl16 N16 O8 P24 W8 -","","","","Hidetake Seino; Youichi Ishii; Masanobu Hidai","Synthesis and Structure Determinations of Complexes Containing a Five-Membered Lactam Structure Based on Organohydrazido(2-) Ligands1","Inorganic Chemistry","1997","36","","161","171","10.1021/ic960778e","","","0.7107","MoKalpha","","","0.054","","","0.046","","","","","2.69","2.69","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323288","17.712","0.004","17.933","0.005","17.715","0.003","90","","110.16","0.02","90","","5282","2","293","","293","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H52 B F5 N2 O P4 W -","- C224 H208 B4 F20 N8 O4 P16 W4 -","- C224 H208 B4 F20 N8 O4 P16 W4 -","","","","Hidetake Seino; Youichi Ishii; Masanobu Hidai","Synthesis and Structure Determinations of Complexes Containing a Five-Membered Lactam Structure Based on Organohydrazido(2-) Ligands1","Inorganic Chemistry","1997","36","","161","171","10.1021/ic960778e","","","0.7107","MoKalpha","","","0.048","","","0.026","","","","","1.36","1.36","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323289","17.71","0.002","17.885","0.002","17.785","0.002","90","","110.278","0.008","90","","5284.1","1.1","293","","293","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H52 B F5 N2 O P4 W -","- C224 H208 B4 F20 N8 O4 P16 W4 -","- C224 H208 B4 F20 N8 O4 P16 W4 -","","","","Hidetake Seino; Youichi Ishii; Masanobu Hidai","Synthesis and Structure Determinations of Complexes Containing a Five-Membered Lactam Structure Based on Organohydrazido(2-) Ligands1","Inorganic Chemistry","1997","36","","161","171","10.1021/ic960778e","","","0.7107","MoKalpha","","","0.039","","","0.022","","","","","1.33","1.33","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323290","12.798","0.002","27.619","0.002","17.002","0.002","90","","109.787","0.01","90","","5654.8","1.2","293","","293","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C57.5 H54 B Br Cl F5 N2 O2 P4 W -","- C230 H216 B4 Br4 Cl4 F20 N8 O8 P16 W4 -","- C230 H216 B4 Br4 Cl4 F20 N8 O8 P16 W4 -","","","","Hidetake Seino; Youichi Ishii; Masanobu Hidai","Synthesis and Structure Determinations of Complexes Containing a Five-Membered Lactam Structure Based on Organohydrazido(2-) Ligands1","Inorganic Chemistry","1997","36","","161","171","10.1021/ic960778e","","","0.7107","MoKalpha","","","0.049","","","0.033","","","","","2.47","2.47","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323291","13.5354","0.0005","14.117","0.0005","18.6611","0.0006","81.933","0.001","85.679","0.001","89.343","0.001","3520.4","0.2","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H40 O21 P2 Re7 Tl -","- C70 H40 O21 P2 Re7 Tl -","- C140 H80 O42 P4 Re14 Tl2 -","2","1","","Udo Brand; John R. Shapley","A Carbidoheptarhenate Complex of Thallium(I)","Inorganic Chemistry","1997","36","","253","255","10.1021/ic9609867","","","0.71073","MoKα","","0.0935","0.0547","","0.1866","0.1375","","","","1.03","0.927","0.927","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323292","22.451","0.003","11.8408","0.0014","25.698","0.003","90","","110.833","0.008","90","","6384.9","1.4","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C13 N15 O49 P Rh2 S2 W11 -","- C13 N15 O49 P Rh2 S2 W11 -","- C52 N60 O196 P4 Rh8 S8 W44 -","4","1","","Xinyi Wei; Michael H. Dickman; Michael T. Pope","New Routes for Multiple Derivatization of Polyoxometalates. Bis(acetato)dirhodium-11-tungstophosphate, [(PO4)W11O35{Rh2(OAc)2}]5-","Inorganic Chemistry","1997","36","","130","131","10.1021/ic960991a","","","0.71073","MoKα","","0.0526","0.0468","","0.1146","0.1119","","","","1.103","1.121","1.121","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323293","6.276","","6.72","","8.005","","109.39","","99.48","","110.31","","283.313","","193","4","193","4","","","","","","","","4","P -1","-P 1","2","","","","- C4 H14 O10 Re2 -","- C4 H14 O10 Re2 -","- C4 H14 O10 Re2 -","1","0.5","","Wolfgang A. Herrmann; William A. Wojtczak; Georg R. J. Artus; Fritz E. Kühn; Mike R. Mattner","Multiple Bonds Between Main Group Elements and Transition Metals. 151.1 Trioxorhenium(VII) Alkoxide Complexes","Inorganic Chemistry","1997","36","","465","471","10.1021/ic951508j","","","0.71073","MoKα","","","0.0495","","","0.0561","","","","","1.082","1.082","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4323294","8.263","","10.884","","22.963","","90","","90","","90","","2065.17","","193","4","193","4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H15 O5 Re -","- C7 H15 O5 Re -","- C56 H120 O40 Re8 -","8","1","","Wolfgang A. Herrmann; William A. Wojtczak; Georg R. J. Artus; Fritz E. Kühn; Mike R. Mattner","Multiple Bonds Between Main Group Elements and Transition Metals. 151.1 Trioxorhenium(VII) Alkoxide Complexes","Inorganic Chemistry","1997","36","","465","471","10.1021/ic951508j","","","0.71073","MoKα","","","0.0438","","","0.0276","","","","","1.1671","1.1671","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4323295","12.327","","10.973","","14.491","","90","","90.22","","90","","1960.1","","295","3","295","3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H13 O5 Re -","- C6 H13 O5 Re -","- C48 H104 O40 Re8 -","8","1","","Wolfgang A. Herrmann; William A. Wojtczak; Georg R. J. Artus; Fritz E. Kühn; Mike R. Mattner","Multiple Bonds Between Main Group Elements and Transition Metals. 151.1 Trioxorhenium(VII) Alkoxide Complexes","Inorganic Chemistry","1997","36","","465","471","10.1021/ic951508j","","","0.71073","MoKα","","","0.0474","","","0.03","","","","","1.1109","1.1109","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4323296","12.042","","10.782","","12.485","","90","","117.44","","90","","1438.64","","193","4","193","4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H21 O5 Re Si -","- C9 H21 O5 Re Si -","- C36 H84 O20 Re4 Si4 -","4","1","","Wolfgang A. Herrmann; William A. Wojtczak; Georg R. J. Artus; Fritz E. Kühn; Mike R. Mattner","Multiple Bonds Between Main Group Elements and Transition Metals. 151.1 Trioxorhenium(VII) Alkoxide Complexes","Inorganic Chemistry","1997","36","","465","471","10.1021/ic951508j","","","0.71073","MoKα","","","0.0438","","","0.0444","","","","","1.1235","1.1235","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4323297","7.28","0.001","20.642","0.004","22.365","0.004","90","","90","","90","","3360.9","1","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 Bi2 Fe3 N2 O9 -","- C25 H40 Bi2 Fe3 N2 O9 -","- C100 H160 Bi8 Fe12 N8 O36 -","4","1","","Jeffrey R. Eveland; Jean-Yves Saillard; Kenton H. Whitmire","Effect of Hybridization on Structure and Bonding of Cluster Compounds Possessing a Square-Pyramidal Fe3(CO)9E2 Core (E = Element of Group 15 or 16)","Inorganic Chemistry","1997","36","","330","334","10.1021/ic960243l","","","0.71069","MoKα","","0.1222","0.068","","0.2205","0.1744","","","","1.012","1.008","1.008","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323298","13.413","0.003","14.693","0.003","14.24","0.003","90","","90","","90","","2806.4","1","143","2","143","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C7 H16 I3 P -","- C7 H16 I3 P -","- C56 H128 I24 P8 -","8","1","","Volkmar Stenzel; Jörg Jeske; Wolf-Walther du Mont; Peter G. Jones","Supramolecular Soft-Soft Interactions of Diiodo(tert-butyl)(isopropyl)phosphonium Cations with μ~2~- to μ~5~-Bridging Iodide Anions. Formation of Chains, Helices, and Columnar Structures","Inorganic Chemistry","1997","36","","443","448","10.1021/ic9603058","","","0.71073","MoKα","","0.0757","0.0646","","0.2005","0.1798","","","","1.072","1.112","1.112","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323299","9.462","0.002","11.13","0.003","30.228","0.006","90","","90","","90","","3183.4","1.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H32 I8 P2 -","- C14 H32 I8 P2 -","- C56 H128 I32 P8 -","4","1","","Volkmar Stenzel; Jörg Jeske; Wolf-Walther du Mont; Peter G. Jones","Supramolecular Soft-Soft Interactions of Diiodo(tert-butyl)(isopropyl)phosphonium Cations with μ~2~- to μ~5~-Bridging Iodide Anions. Formation of Chains, Helices, and Columnar Structures","Inorganic Chemistry","1997","36","","443","448","10.1021/ic9603058","","","0.71073","MoKα","","0.0597","0.0418","","0.109","0.0995","","","","0.989","1.01","1.01","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323300","19.73","0.003","19.73","0.003","14.485","0.004","90","","90","","90","","5639","2","143","2","143","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C7 H16 I3.25 P -","- C7 H16 I3.25 P -","- C112 H256 I52 P16 -","16","1","","Volkmar Stenzel; Jörg Jeske; Wolf-Walther du Mont; Peter G. Jones","Supramolecular Soft-Soft Interactions of Diiodo(tert-butyl)(isopropyl)phosphonium Cations with μ~2~- to μ~5~-Bridging Iodide Anions. Formation of Chains, Helices, and Columnar Structures","Inorganic Chemistry","1997","36","","443","448","10.1021/ic9603058","","","0.71073","MoKα","","0.048","0.0356","","0.08","0.0747","","","","1.095","1.13","1.13","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323301","23.874","0.009","21.858","0.007","9.477","0.003","90","","94.3","0.03","90","","4932","3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H48 I13 P3 -","- C21 H48 I13 P3 -","- C84 H192 I52 P12 -","4","1","","Volkmar Stenzel; Jörg Jeske; Wolf-Walther du Mont; Peter G. Jones","Supramolecular Soft-Soft Interactions of Diiodo(tert-butyl)(isopropyl)phosphonium Cations with μ~2~- to μ~5~-Bridging Iodide Anions. Formation of Chains, Helices, and Columnar Structures","Inorganic Chemistry","1997","36","","443","448","10.1021/ic9603058","","","0.71073","MoKα","","0.1126","0.0465","","0.1381","0.1047","","","","0.949","0.986","0.986","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323302","18.804","0.004","9.901","0.008","17.447","0.003","90","","104.35","0.02","90","","3147","3","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H50 B N7 O7 W -","- C23 H42 B N7 O7 W -","- C92 H168 B4 N28 O28 W4 -","4","1","","Aston A. Eagle; Graham N. George; Edward R. T. Tiekink; Charles G. Young","Oxotungsten(VI) Chemistry of Hydrotris(3,5-dimethylpyrazol-1-yl)borate: Hydroxodioxotungsten(VI), Trioxotungsten(VI), and (μ-Oxo)bis[dioxotungsten(VI)] Complexes","Inorganic Chemistry","1997","36","","472","479","10.1021/ic9609261","","","0.71073","MoKalpha","","","0.03","","","0.032","","","","","1.35","1.35","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323303","27.454","0.007","15.322","0.003","19.802","0.003","90","","116.14","0.02","90","","7478","3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H46 Cl4 Fe N4 O4 -","- C37 H46 Cl4 Fe N4 O4 -","- C296 H368 Cl32 Fe8 N32 O32 -","8","1","","Charles E. Schulz; Hungsun Song; Anil Mislankar; Robert D. Orosz; Christopher A. Reed; Peter G. Debrunner; W. Robert Scheidt","[Fe(OEP.)(X)]+ π-Cation Radicals: Characterization and Spin-Spin Interactions","Inorganic Chemistry","1997","36","","406","412","10.1021/ic961053d","","","0.71073","MoKα","","","0.069","","","0.063","","","","","1.45","1.45","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323304","16.7763","0.0012","9.8236","0.0007","16.3714","0.0012","90","","103.728","0.002","90","","2621","0.3","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H40 B O2 P4 Rh -","- C18 H40 B O2 P4 Rh -","- C72 H160 B4 O8 P16 Rh4 -","4","1","","Chaoyang Dai; Graham Stringer; Todd B. Marder; Andrew J. Scott; William Clegg; Nicholas C. Norman","Synthesis and Characterization of Rhodium(I) Boryl and Rhodium(III) Tris(Boryl) Compounds: Molecular Structures of [(PMe3)4Rh(B(cat))] andfac-[(PMe3)3Rh(B(cat))3] (cat = 1,2-O2C6H4)","Inorganic Chemistry","1997","36","","272","273","10.1021/ic9611047","","","0.71073","MoKα","","0.0321","0.0278","","0.0746","0.0694","","","","1.161","1.144","1.144","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323305","9.4861","0.0009","11.5356","0.0011","17.8907","0.0018","73.055","0.003","83.211","0.002","68.39","0.002","1741","0.3","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C30.5 H43 B3 O6 P3 Rh -","- C30.5 H39 B3 O6 P3 Rh -","- C61 H78 B6 O12 P6 Rh2 -","2","1","","Chaoyang Dai; Graham Stringer; Todd B. Marder; Andrew J. Scott; William Clegg; Nicholas C. Norman","Synthesis and Characterization of Rhodium(I) Boryl and Rhodium(III) Tris(Boryl) Compounds: Molecular Structures of [(PMe3)4Rh(B(cat))] andfac-[(PMe3)3Rh(B(cat))3] (cat = 1,2-O2C6H4)","Inorganic Chemistry","1997","36","","272","273","10.1021/ic9611047","","","0.71073","MoKα","","0.0386","0.0375","","0.1023","0.1005","","","","1.05","1.053","1.053","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4323306","28.112","0.007","9.538","0.007","15.722","0.008","90","","115.56","0.02","90","","3803","4","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H44 B2 N12 O5 W2 -","- C30 H44 B2 N12 O5 W2 -","- C120 H176 B8 N48 O20 W8 -","4","0.5","","Aston A. Eagle; Graham N. George; Edward R. T. Tiekink; Charles G. Young","Oxotungsten(VI) Chemistry of Hydrotris(3,5-dimethylpyrazol-1-yl)borate: Hydroxodioxotungsten(VI), Trioxotungsten(VI), and (μ-Oxo)bis[dioxotungsten(VI)] Complexes","Inorganic Chemistry","1997","36","","472","479","10.1021/ic9609261","","","0.71073","MoKalpha","","","0.0312","","","0.0298","","","","","1.596","1.596","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323307","9.66","0.002","16.237","0.003","17.724","0.004","86.34","0.03","77.19","0.03","78.34","0.03","2654.3","1","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H41 Cl10 Fe N8 Ru2 -","- C46.5 H36 Cl10 Fe N8 Ru2 -","- C93 H72 Cl20 Fe2 N16 Ru4 -","2","1","","F. A. Cotton; A. Yokochi","Synthesis, Structure, and Magnetic Properties of New Ru26+ Compounds","Inorganic Chemistry","1997","36","","567","570","10.1021/ic960637c","","","0.71073","MoKα","","0.1027","0.0734","","0.1789","0.1606","","","","1.073","1.139","1.139","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4323308","13.991","0.003","22.228","0.005","15.067","0.004","90","","97.16","0.02","90","","4649.2","1.9","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 Au2 B10 Cl2 P2 S2 -","- C44 H40 Au2 B10 P2 S2 -","- C176 H160 Au8 B40 P8 S8 -","4","0.5","","Olga Crespo; M. Concepción Gimeno; Peter G. Jones; Birte Ahrens; Antonio Laguna","Synthesis and Characterization of Gold(I) Complexes with the Ligand 1,2-Dithiolate-o-carborane. Crystal Structures of [Au~2~(μ-S~2~C~2~B~10~H~10~)(PPh~3~)~2~], [Au~2~(μ-S~2~C~2~B~10~H~10~)(μ-{(PPh~2~)~2~(CHCH)}], and [Au~2~(μ-S~2~C~2~B~10~H~10~)(μ-{(PPh~2~)~2~)(C~6~H~4~)}]","Inorganic Chemistry","1997","36","","495","500","10.1021/ic960822q","","","0.71073","MoKα","","0.0611","0.0335","","0.0958","0.0736","","","","1.133","1.025","1.025","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323309","13.304","0.002","13.416","0.003","20.351","0.004","90","","109.12","0.02","90","","3432","1.2","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Au2 B10 P2 S2 -","- C28 H32 Au2 B10 P2 S2 -","- C112 H128 Au8 B40 P8 S8 -","4","1","","Olga Crespo; M. Concepción Gimeno; Peter G. Jones; Birte Ahrens; Antonio Laguna","Synthesis and Characterization of Gold(I) Complexes with the Ligand 1,2-Dithiolate-o-carborane. Crystal Structures of [Au~2~(μ-S~2~C~2~B~10~H~10~)(PPh~3~)~2~], [Au~2~(μ-S~2~C~2~B~10~H~10~)(μ-{(PPh~2~)~2~(CHCH)}], and [Au~2~(μ-S~2~C~2~B~10~H~10~)(μ-{(PPh~2~)~2~)(C~6~H~4~)}]","Inorganic Chemistry","1997","36","","495","500","10.1021/ic960822q","","","0.71073","MoKα","","0.043","0.0329","","0.0842","0.0749","","","","1.066","1.065","1.065","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323310","11.921","0.003","12.894","0.004","14.342","0.004","114.113","0.015","91.63","0.02","115.01","0.012","1768.7","1","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Au2 B10 P2 S2 -","- C32 H34 Au2 B10 P2 S2 -","- C64 H68 Au4 B20 P4 S4 -","2","1","","Olga Crespo; M. Concepción Gimeno; Peter G. Jones; Birte Ahrens; Antonio Laguna","Synthesis and Characterization of Gold(I) Complexes with the Ligand 1,2-Dithiolate-o-carborane. Crystal Structures of [Au~2~(μ-S~2~C~2~B~10~H~10~)(PPh~3~)~2~], [Au~2~(μ-S~2~C~2~B~10~H~10~)(μ-{(PPh~2~)~2~(CHCH)}], and [Au~2~(μ-S~2~C~2~B~10~H~10~)(μ-{(PPh~2~)~2~)(C~6~H~4~)}]","Inorganic Chemistry","1997","36","","495","500","10.1021/ic960822q","","","0.71073","MoKα","","0.0462","0.0357","","0.0883","0.0793","","","","1.046","1.046","1.046","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323311","15.053","0.003","12.59","0.002","22.784","0.005","90","","91.91","0.02","90","","4315.6","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(tetrahydrofuran)magnesium = bis[1,3-bis(trimethylsilyl)-2-phenyl-1-aza-3-phosphapropenide]","","- C34 H62 Mg N2 O2 P2 Si4 -","- C34 H62 Mg N2 O2 P2 Si4 -","- C136 H248 Mg4 N8 O8 P8 Si16 -","4","1","","Matthias Westerhausen; Matthias H. Digeser; Wolfgang Schwarz","1,3-Bis(trimethylsilyl)-2-phenyl-1-aza-3-phosphapropenide Anions as Bidentate Ligands for the Alkaline Earth Metals Magnesium, Calcium, Strontium, and Barium","Inorganic Chemistry","1997","36","","521","527","10.1021/ic960887t","","","0.71073","MoKα","","0.0896","0.0511","","0.1281","0.1092","","","","1.029","1.077","1.077","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323312","15.228","0.007","12.792","0.005","23.14","0.01","90","","92.53","0.02","90","","4503","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(tetrahydrofuran)calcium = bis[1,3-bis(trimethylsilyl)-2-phenyl-1-aza-3-phosphapropenide]","","- C34 H62 Ca N2 O2 P2 Si4 -","- C34 H62 Ca N2 O2 P2 Si4 -","- C136 H248 Ca4 N8 O8 P8 Si16 -","4","1","","Matthias Westerhausen; Matthias H. Digeser; Wolfgang Schwarz","1,3-Bis(trimethylsilyl)-2-phenyl-1-aza-3-phosphapropenide Anions as Bidentate Ligands for the Alkaline Earth Metals Magnesium, Calcium, Strontium, and Barium","Inorganic Chemistry","1997","36","","521","527","10.1021/ic960887t","","","0.71073","MoKα","","0.1072","0.0651","","0.1659","0.1392","","","","1.056","1.15","1.15","","","","","has coordinates,has disorder","179336","2020-10-21","18:00:00",""
"4323313","11.448","0.003","15.794","0.006","16.706","0.006","98.02","0.03","109.67","0.03","104.18","0.03","2674.9","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Tris(tetrahydrofuran)strontium = bis[1,3-bis(trimethylsilyl)-2-phenyl-1-aza-3-phosphapropenide]","","- C42 H78 N2 O4 P2 Si4 Sr -","- C42 H78 N2 O4 P2 Si4 Sr -","- C84 H156 N4 O8 P4 Si8 Sr2 -","2","1","","Matthias Westerhausen; Matthias H. Digeser; Wolfgang Schwarz","1,3-Bis(trimethylsilyl)-2-phenyl-1-aza-3-phosphapropenide Anions as Bidentate Ligands for the Alkaline Earth Metals Magnesium, Calcium, Strontium, and Barium","Inorganic Chemistry","1997","36","","521","527","10.1021/ic960887t","","","0.71069","MoKα","","0.1282","0.0746","","0.1861","0.1563","","","","1.21","1.335","1.335","","","","","has coordinates,has disorder","179336","2020-10-21","18:00:00",""
"4323314","12.452","0.004","19.071","0.004","22.123","0.007","76.46","0.02","76.45","0.02","89.31","0.02","4960","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Tris(tetrahydrofuran)barium = bis[1,3-bis(trimethylsilyl)-2-phenyl-1-aza-3-phosphapropenide]","","- C38 H70 Ba N2 O3 P2 Si4 -","- C38 H70 Ba N2 O3 P2 Si4 -","- C152 H280 Ba4 N8 O12 P8 Si16 -","4","2","","Matthias Westerhausen; Matthias H. Digeser; Wolfgang Schwarz","1,3-Bis(trimethylsilyl)-2-phenyl-1-aza-3-phosphapropenide Anions as Bidentate Ligands for the Alkaline Earth Metals Magnesium, Calcium, Strontium, and Barium","Inorganic Chemistry","1997","36","","521","527","10.1021/ic960887t","","","0.71073","MoKα","","0.0946","0.059","","0.1489","0.1309","","","","1.298","1.401","1.401","","","","","has coordinates,has disorder","179336","2020-10-21","18:00:00",""
"4323315","16.465","0.005","11.149","0.003","8.939","0.003","90","","107.93","0.01","90","","1561.2","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H4 K2 O17 Zr -","- C8 H2 K2 O17 Zr -","- C32 H8 K8 O68 Zr4 -","4","1","","Ricardo Baggio; Maria Teresa Garland; Mireille Perec","Preparation and X-ray Crystal Structure of the Polymeric Zirconium(IV) Oxalate Complex [K2{Zr(C2O4)3}.H2C2O4.H2O]n","Inorganic Chemistry","1997","36","","737","739","10.1021/ic960987z","","","0.71073","MoKα","","0.0326","0.0291","","0.0691","0.0667","","","","1.114","1.121","1.121","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323316","15.3937","0.0007","11.473","0.002","24.977","0.003","90","","92.33","0.01","90","","4407.6","1","213","2","213","2","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","cis-Tetrachloro-bis(dihexylamido)-bis(diethylphosphine)ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(dihexylamido)-(cis)- 1,2-bis(diethylphosphine)ditungsten(III)","","- C32 H74 Cl4 N2 P2 W2 -","- C32 H74 Cl4 N2 P2 W2 -","- C128 H296 Cl16 N8 P8 W8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; N. Nawar; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 4. A New Synthetic Route to Products with a Staggered Conformation. Preparations and Characterizations of W2Cl4(NR2)2(PR'3)2 (R = Et, Bu, Hex; R'3= Me3, Et2H) and an Intermediate Complex W2Cl4(NEt2)2(NHEt2)2","Inorganic Chemistry","1997","36","","559","566","10.1021/ic9610694","","","0.71073","MoKα","","0.0546","0.0435","","0.105","0.0995","","","","1.087","1.12","1.12","","","","","has coordinates,has disorder","179336","2020-10-21","18:00:00",""
"4323317","11.6704","0.0009","13.336","0.001","17.321","0.002","90","","90","","90","","2695.8","0.4","173","2","173","2","","","","","","","synthesized","5","I b a 2","I 2 -2c","45","cis,cis-Tetrachloro-bis(diethylamido)-bis(diethylamine) ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(diethylamido)-(cis,cis)-1,2- bis(diethylamine) ditungsten(III)","","- C16 H42 Cl4 N4 W2 -","- C16 H42 Cl4 N4 W2 -","- C64 H168 Cl16 N16 W8 -","4","0.5","","F. Albert Cotton; Evgeny V. Dikarev; N. Nawar; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 4. A New Synthetic Route to Products with a Staggered Conformation. Preparations and Characterizations of W2Cl4(NR2)2(PR'3)2 (R = Et, Bu, Hex; R'3= Me3, Et2H) and an Intermediate Complex W2Cl4(NEt2)2(NHEt2)2","Inorganic Chemistry","1997","36","","559","566","10.1021/ic9610694","","","0.7093","MoKα","","0.0282","0.0224","","0.056","0.0539","","","","1.098","1.101","1.101","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323318","9.568","0.002","17.294","0.007","17.418","0.005","111.82","0.03","103.11","0.02","90.72","0.03","2590.9","1.5","293","2","293","2","","","","","","","synthesized","6","P -1","-P 1","2","cis,cis-Tetrachloro-bis(diethylamido)-bis(trimethyl- phosphine) ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(diethylamido)-(cis,cis)- 1,2-bis(trimethylphosphine) ditungsten(III)","","- C14 H38 Cl4 N2 P2 W2 -","- C14 H38 Cl4 N2 P2 W2 -","- C56 H152 Cl16 N8 P8 W8 -","4","2","","F. Albert Cotton; Evgeny V. Dikarev; N. Nawar; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 4. A New Synthetic Route to Products with a Staggered Conformation. Preparations and Characterizations of W2Cl4(NR2)2(PR'3)2 (R = Et, Bu, Hex; R'3= Me3, Et2H) and an Intermediate Complex W2Cl4(NEt2)2(NHEt2)2","Inorganic Chemistry","1997","36","","559","566","10.1021/ic9610694","","","0.71073","MoKα","","0.0974","0.0447","","0.1543","0.1188","","","","0.957","0.983","0.983","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323319","12.162","0.006","14.955","0.004","18.82","0.01","95.66","0.03","97.99","0.04","91.26","0.03","3371","3","123","2","123","2","","","","","","","synthesized","6","P -1","-P 1","2","cis,cis-Tetrachloro-bis(dibutylamido)-bis(trimethyl- phosphine) ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(dibutylamido)-(cis,cis)- 1,2-bis(trimethylphosphine) ditungsten(III)","","- C22 H54 Cl4 N2 P2 W2 -","- C22 H54 Cl4 N2 P2 W2 -","- C88 H216 Cl16 N8 P8 W8 -","4","2","","F. Albert Cotton; Evgeny V. Dikarev; N. Nawar; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 4. A New Synthetic Route to Products with a Staggered Conformation. Preparations and Characterizations of W2Cl4(NR2)2(PR'3)2 (R = Et, Bu, Hex; R'3= Me3, Et2H) and an Intermediate Complex W2Cl4(NEt2)2(NHEt2)2","Inorganic Chemistry","1997","36","","559","566","10.1021/ic9610694","","","0.7093","MoKα","","0.0827","0.0576","","0.1709","0.1473","","","","1.059","1.037","1.037","","","","","has coordinates,has disorder","179336","2020-10-21","18:00:00",""
"4323320","17.97","0.003","10.993","0.002","20.689","0.004","90","","115.43","0.01","90","","3691","1.2","293","2","293","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","cis,cis-Tetrachloro-bis(dibutylamido)-bis(diethyl- phosphine) ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(dibutylamido)-(cis,cis)- 1,2-bis(diethylphosphine) ditungsten(III)","","- C24 H58 Cl4 N2 P2 W2 -","- C24 H58 Cl4 N2 P2 W2 -","- C96 H232 Cl16 N8 P8 W8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; N. Nawar; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 4. A New Synthetic Route to Products with a Staggered Conformation. Preparations and Characterizations of W2Cl4(NR2)2(PR'3)2 (R = Et, Bu, Hex; R'3= Me3, Et2H) and an Intermediate Complex W2Cl4(NEt2)2(NHEt2)2","Inorganic Chemistry","1997","36","","559","566","10.1021/ic9610694","","","1.5406","CuKα","","0.0738","0.041","","0.1127","0.0949","","","","1.067","1.075","1.075","","","","","has coordinates,has disorder","179336","2020-10-21","18:00:00",""
"4323321","6.566","0.003","25.171","0.013","14.71","0.007","90","","92.9","0.01","90","","2428","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Gadolinium(III) Hydrogen Oxydiacetate","","","- C16 H23 Gd O21 -","- C16 H23 Gd O21 -","- C64 H92 Gd4 O84 -","4","1","","Ricardo Baggio; Maria Teresa Garland; Mireille Perec","Synthesis and X-ray Structure of the Mononuclear Nine-Coordinate Gadolinium(III) Hydrogen Oxydiacetate [Gd(C4H5O5)3].C4H6O5.H2O","Inorganic Chemistry","1997","36","","950","952","10.1021/ic960974l","","","0.71073","MoKα","","0.077","0.047","","0.132","0.112","","","","1.12","1.173","1.173","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323322","6.468","0.001","12.677","0.002","17.791","0.002","90","","92.64","0.01","90","","1457.2","0.4","293","2","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Cl3 Mo O P2 -","- C6 H18 Cl3 Mo O P2 -","- C24 H72 Cl12 Mo4 O4 P8 -","4","1","","Christian Limberg; Michael Büchner; Katja Heinze; Olaf Walter","The [Cl2OMo(μ-OC2H5)2(μ-HOC2H5)MoOCl2]/PMe3 System: A Chameleon Yielding the X-ray Structures of MoOCl2(PMe3)3, MoOCl3(PMe3)2, Mo4O4Cl4(μ2-OEt)4(PMe3)2(μ3-O)2, and MoOCl3(OPMe3)(PMe3)","Inorganic Chemistry","1997","36","","872","879","10.1021/ic961046p","","","0.71073","MoKα","","0.0283","0.0236","","0.0618","0.0588","","","","1.062","1.077","1.077","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323323","11.1763","0.0015","11.616","0.002","12.771","0.003","90","","109.838","0.011","90","","1559.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H19 Cl2 Mo2 O5 P -","- C7 H19 Cl2 Mo2 O5 P -","- C28 H76 Cl8 Mo8 O20 P4 -","4","1","","Christian Limberg; Michael Büchner; Katja Heinze; Olaf Walter","The [Cl2OMo(μ-OC2H5)2(μ-HOC2H5)MoOCl2]/PMe3 System: A Chameleon Yielding the X-ray Structures of MoOCl2(PMe3)3, MoOCl3(PMe3)2, Mo4O4Cl4(μ2-OEt)4(PMe3)2(μ3-O)2, and MoOCl3(OPMe3)(PMe3)","Inorganic Chemistry","1997","36","","872","879","10.1021/ic961046p","","","0.71073","MoKα","","0.1801","0.0798","","0.211","0.1566","","","","0.952","1.018","1.018","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323324","17.138","0.003","12.808","0.003","19.226","0.004","90","","115.99","0.01","90","","3793.4","1.4","293","2","210","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H54 Cl4 Mo2 O2 P6 -","- C9 H27 Cl2 Mo O P3 -","- C72 H216 Cl16 Mo8 O8 P24 -","8","2","","Christian Limberg; Michael Büchner; Katja Heinze; Olaf Walter","The [Cl2OMo(μ-OC2H5)2(μ-HOC2H5)MoOCl2]/PMe3 System: A Chameleon Yielding the X-ray Structures of MoOCl2(PMe3)3, MoOCl3(PMe3)2, Mo4O4Cl4(μ2-OEt)4(PMe3)2(μ3-O)2, and MoOCl3(OPMe3)(PMe3)","Inorganic Chemistry","1997","36","","872","879","10.1021/ic961046p","","","0.71073","MoKα","","0.0438","0.0372","","0.1037","0.0985","","","","1.056","1.074","1.074","","","","","has coordinates,has disorder","179336","2020-10-21","18:00:00",""
"4323325","6.783","0.003","12.623","0.004","18.298","0.008","90","","98.58","0.03","90","","1549.2","1.1","293","2","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Cl3 Mo O2 P2 -","- C6 H18 Cl3 Mo O2 P2 -","- C24 H72 Cl12 Mo4 O8 P8 -","4","1","","Christian Limberg; Michael Büchner; Katja Heinze; Olaf Walter","The [Cl2OMo(μ-OC2H5)2(μ-HOC2H5)MoOCl2]/PMe3 System: A Chameleon Yielding the X-ray Structures of MoOCl2(PMe3)3, MoOCl3(PMe3)2, Mo4O4Cl4(μ2-OEt)4(PMe3)2(μ3-O)2, and MoOCl3(OPMe3)(PMe3)","Inorganic Chemistry","1997","36","","872","879","10.1021/ic961046p","","","0.71073","MoKα","","0.0607","0.0369","","0.1432","0.1043","","","","0.847","0.829","0.829","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323326","19.437","0.002","15.587","0.001","20.401","0.001","90","","97.84","0.006","90","","6123","0.8","213","2","213","2","","","","","","","synthesis","4","I 1 2/a 1","-I 2ya","15","","","","- C72 H62 N10 Ta2 -","- C72 H54 N10 Ta2 -","- C288 H216 N40 Ta8 -","4","0.5","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Xiaoping Wang","Cleavage of Formamidinate Ligands on a TaTa Double Bond: Formation of HxCNAryl (x= 0 and 1) and Arylimido-Bridged Complexes","Inorganic Chemistry","1997","36","","896","901","10.1021/ic9611507","","","0.71073","MoKα","","0.0706","0.0571","","0.1464","0.1366","","","","1.125","1.161","1.161","","","","","has coordinates,has disorder","179336","2020-10-21","18:00:00",""
"4323327","13.99","0.002","15.841","0.001","19.442","0.004","98.98","0.01","104.07","0.01","109.59","0.01","3802.1","1.1","213","2","213","2","","","","","","","synthesis","4","P -1","-P 1","2","","","","- C84 H95 N10 Ta2 -","- C84 H74 N10 Ta2 -","- C168 H148 N20 Ta4 -","2","1","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Xiaoping Wang","Cleavage of Formamidinate Ligands on a TaTa Double Bond: Formation of HxCNAryl (x= 0 and 1) and Arylimido-Bridged Complexes","Inorganic Chemistry","1997","36","","896","901","10.1021/ic9611507","","","0.71073","MoKα","","0.0561","0.04","","0.1215","0.1056","","","","1.066","1.117","1.117","","","","","has coordinates,has disorder","179336","2020-10-21","18:00:00",""
"4323328","17.962","0.003","15.539","0.004","19.973","0.003","90","","90.126","0.007","90","","5574.7","1.9","168","2","168","2","","","","","","","synthesis","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H60 Cl2 N8 Ta2 -","- C60 H60 Cl2 N8 Ta2 -","- C240 H240 Cl8 N32 Ta8 -","4","1","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Xiaoping Wang","Cleavage of Formamidinate Ligands on a TaTa Double Bond: Formation of HxCNAryl (x= 0 and 1) and Arylimido-Bridged Complexes","Inorganic Chemistry","1997","36","","896","901","10.1021/ic9611507","","","0.71073","MoKα","","0.0743","0.0317","","0.0827","0.0641","","","","1.113","1.057","1.057","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323329","16.396","0.003","10.104","0.002","26.68","0.002","90","","92.22","0.01","90","","4416.6","1.2","293","2","293","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","trans,trans-Tetrachloro-bis(diethylamido)-bis(diphenylphosphino)ethane ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(diethylamido)-(trans,trans)-bis(diphenyl- phosphino)ethane ditungsten(III)","","- C41 H52 Cl4 N2 P2 W2 -","- C41 H52 Cl4 N2 P2 W2 -","- C164 H208 Cl16 N8 P8 W8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 5. Preparation and Characterization of W2Cl4(NEt2)2(L-L) (L-L = dmpm, dmpe, dppe), W2Cl4(NBu2)2(L-L) (L-L = dmpm, dmpe), and W2Cl4(NHex2)2(dmpm). First Complexes with Bridging Diphosphine Ligands in a cis,trans-Stereochemistry","Inorganic Chemistry","1997","36","","902","912","10.1021/ic961151z","","","1.54184","CuKα","","0.0561","0.0423","","0.1172","0.1079","","","","1.053","1.057","1.057","","","","","has coordinates,has disorder","179336","2020-10-21","18:00:00",""
"4323330","33.21","0.003","8.725","0.004","17.052","0.004","90","","100.44","0.01","90","","4859","3","293","2","293","2","","","","","","","synthesized","6","C 1 2/c 1","-C 2yc","15","cis,trans-Tetrachloro-bis(diethylamido)-bis(dimethylphosphino)methane ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(diethylamido)-(cis,trans)-1,2- bis(dimethylphosphino)methane ditungsten(III)","","- C13 H34 Cl4 N2 P2 W2 -","- C13 H34 Cl4 N2 P2 W2 -","- C104 H272 Cl32 N16 P16 W16 -","8","1","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 5. Preparation and Characterization of W2Cl4(NEt2)2(L-L) (L-L = dmpm, dmpe, dppe), W2Cl4(NBu2)2(L-L) (L-L = dmpm, dmpe), and W2Cl4(NHex2)2(dmpm). First Complexes with Bridging Diphosphine Ligands in a cis,trans-Stereochemistry","Inorganic Chemistry","1997","36","","902","912","10.1021/ic961151z","","","0.71073","MoKα","","0.0549","0.0229","","0.0575","0.0456","","","","1.036","1.026","1.026","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323331","8.76","0.003","21.028","0.008","12.778","0.005","90","","91.77","0.03","90","","2352.7","1.5","293","2","293","2","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","cis,cis-Tetrachloro-bis(diethylamido)-bis(dimethyl- phosphino)methane ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(diethylamido)-(cis,cis)- 1,2-bis(dimethylphosphino)methane ditungsten(III)","","- C13 H34 Cl4 N2 P2 W2 -","- C13 H34 Cl4 N2 P2 W2 -","- C52 H136 Cl16 N8 P8 W8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 5. Preparation and Characterization of W2Cl4(NEt2)2(L-L) (L-L = dmpm, dmpe, dppe), W2Cl4(NBu2)2(L-L) (L-L = dmpm, dmpe), and W2Cl4(NHex2)2(dmpm). First Complexes with Bridging Diphosphine Ligands in a cis,trans-Stereochemistry","Inorganic Chemistry","1997","36","","902","912","10.1021/ic961151z","","","1.54184","CuKα","","0.0633","0.0587","","0.1702","0.1656","","","","1.111","1.128","1.128","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323332","14.958","0.002","15.823","0.002","27.8014","0.0009","90","","90","","90","","6580","1.2","213","2","213","2","","","","","","","synthesized","6","P b c a","-P 2ac 2ab","61","cis,trans-Tetrachloro-bis(dibutylamido)-dimethyl- phosphinomethan ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(dibutylamido)-(cis,trans)- 1,2-dimethylphosphinomethan ditungsten(III)","","- C21 H50 Cl4 N2 P2 W2 -","- C21 H50 Cl4 N2 P2 W2 -","- C168 H400 Cl32 N16 P16 W16 -","8","1","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 5. Preparation and Characterization of W2Cl4(NEt2)2(L-L) (L-L = dmpm, dmpe, dppe), W2Cl4(NBu2)2(L-L) (L-L = dmpm, dmpe), and W2Cl4(NHex2)2(dmpm). First Complexes with Bridging Diphosphine Ligands in a cis,trans-Stereochemistry","Inorganic Chemistry","1997","36","","902","912","10.1021/ic961151z","","","0.71073","MoKα","","0.0941","0.0448","","0.1393","0.1083","","","","0.845","1.029","1.029","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323333","18.011","0.004","17.221","0.004","21.264","0.006","90","","103.33","0.02","90","","6418","3","213","2","213","2","","","","","","","synthesized","6","C 1 2/c 1","-C 2yc","15","cis,cis-Tetrachloro-bis(dibutylamido)-bis(dimethylphosphino)methane ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(dibutylamido)-(cis,cis)-bis(dimethyl- phosphino)methane ditungsten(III)","","- C21 H50 Cl4 N2 P2 W2 -","- C21 H50 Cl4 N2 P2 W2 -","- C168 H400 Cl32 N16 P16 W16 -","8","1","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 5. Preparation and Characterization of W2Cl4(NEt2)2(L-L) (L-L = dmpm, dmpe, dppe), W2Cl4(NBu2)2(L-L) (L-L = dmpm, dmpe), and W2Cl4(NHex2)2(dmpm). First Complexes with Bridging Diphosphine Ligands in a cis,trans-Stereochemistry","Inorganic Chemistry","1997","36","","902","912","10.1021/ic961151z","","","0.71073","MoKα","","0.1328","0.0608","","0.1495","0.1254","","","","0.916","1.108","1.108","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323334","14.772","0.002","17.188","0.001","25.37","0.003","90","","90","","90","","6441.5","1.2","213","2","213","2","","","","","","","synthesized","6","P b c a","-P 2ac 2ab","61","cis,cis-Tetrachloro-bis(dibutylamido)-bis(dimethyl- phosphino)methane ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(dibutylamido)-(cis,cis)- 1,2-bis(dimethylphosphino)methane ditungsten(III)","","- C21 H50 Cl4 N2 P2 W2 -","- C21 H50 Cl4 N2 P2 W2 -","- C168 H400 Cl32 N16 P16 W16 -","8","1","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 5. Preparation and Characterization of W2Cl4(NEt2)2(L-L) (L-L = dmpm, dmpe, dppe), W2Cl4(NBu2)2(L-L) (L-L = dmpm, dmpe), and W2Cl4(NHex2)2(dmpm). First Complexes with Bridging Diphosphine Ligands in a cis,trans-Stereochemistry","Inorganic Chemistry","1997","36","","902","912","10.1021/ic961151z","","","0.71073","MoKα","","0.0984","0.0399","","0.1141","0.0861","","","","0.751","0.9","0.9","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323335","18.368","0.004","17.06","0.002","30.414","0.004","90","","103.96","0.01","90","","9249","3","173","2","173","2","","","","","","","synthesized","6","C 1 2/c 1","-C 2yc","15","cis,cis-Tetrachloro-bis(dihexylamido)-bis(dimethylphosphino)methane ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(dihexylamido)-(cis,cis)-bis(dimethyl- phosphino)methane ditungsten(III)","","- C36 H74 Cl4 N2 P2 W2 -","- C36 H74 Cl4 N2 P2 W2 -","- C288 H592 Cl32 N16 P16 W16 -","8","1","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 5. Preparation and Characterization of W2Cl4(NEt2)2(L-L) (L-L = dmpm, dmpe, dppe), W2Cl4(NBu2)2(L-L) (L-L = dmpm, dmpe), and W2Cl4(NHex2)2(dmpm). First Complexes with Bridging Diphosphine Ligands in a cis,trans-Stereochemistry","Inorganic Chemistry","1997","36","","902","912","10.1021/ic961151z","","","0.7093","MoKα","","0.1069","0.0468","","0.1325","0.1069","","","","1.047","1.11","1.11","","","","","has coordinates,has disorder","179336","2020-10-21","18:00:00",""
"4323336","9.596","0.002","15.975","0.002","18.756","0.004","90","","96.73","0.01","90","","2855.4","0.9","173","2","173","2","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","cis,trans-Tetrachloro-bis(diethylamido)-dimethyl- phosphinoethan ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(diethylamido)-(cis,trans)- 1,2-dimethylphosphinoethan ditungsten(III)","","- C15 H38 Cl6 N2 P2 W2 -","- C15 H38 Cl6 N2 P2 W2 -","- C60 H152 Cl24 N8 P8 W8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 5. Preparation and Characterization of W2Cl4(NEt2)2(L-L) (L-L = dmpm, dmpe, dppe), W2Cl4(NBu2)2(L-L) (L-L = dmpm, dmpe), and W2Cl4(NHex2)2(dmpm). First Complexes with Bridging Diphosphine Ligands in a cis,trans-Stereochemistry","Inorganic Chemistry","1997","36","","902","912","10.1021/ic961151z","","","0.7093","MoKα","","0.0319","0.0257","","0.0706","0.0653","","","","1.152","1.17","1.17","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323337","9.465","0.001","34.545","0.007","10.177","0.004","90","","97.22","0.001","90","","3301.2","1.5","213","2","213","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","cis,trans-Tetrachloro-bis(dibutylamido)-bis(dimethylphosphino)ethane ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(dibutylamido)-(cis,trans)-1,2- bis(dimethylphosphino)ethane ditungsten(III)","","- C22 H52 Cl4 N2 P2 W2 -","- C22 H52 Cl4 N2 P2 W2 -","- C88 H208 Cl16 N8 P8 W8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 5. Preparation and Characterization of W2Cl4(NEt2)2(L-L) (L-L = dmpm, dmpe, dppe), W2Cl4(NBu2)2(L-L) (L-L = dmpm, dmpe), and W2Cl4(NHex2)2(dmpm). First Complexes with Bridging Diphosphine Ligands in a cis,trans-Stereochemistry","Inorganic Chemistry","1997","36","","902","912","10.1021/ic961151z","","","0.71073","MoKα","","0.0754","0.047","","0.1298","0.1063","","","","1.072","1.16","1.16","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323338","12.569","0.001","17.857","0.002","14.729","0.002","90","","92.56","0.01","90","","3302.5","0.6","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 Cl N2 O7 P2 Pd -","- C32 H37 Cl0.99 N2 O6.96 P2 Pd -","- C128 H148 Cl3.96 N8 O27.84 P8 Pd4 -","4","1","","Larry R. Falvello; Susana Fernández; Rafael Navarro; Esteban P. Urriolabeitia","Nitrogen- vs Carbon-Coordination of the α-Cyano-Stabilized Phosphorus Ylide Ph3PC(H)CN. X-ray Crystal Structure of {Pd(dmba)[P(OMe)3][N\τbCC(H)PPh3]}(ClO4)","Inorganic Chemistry","1997","36","","1136","1142","10.1021/ic960904e","","","0.71073","MoKα","","0.0476","0.0384","","0.1003","0.0961","","","","1.044","1.098","1.098","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323339","21.971","0.006","28.081","0.005","12.207","0.008","90","0","93.57","0.02","90","0","7517","6","295","","295","","","","","","","","chemical synthesis","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 I12 N8 Ni2 S12 -","- C36 H56 I12 N8 Ni2 S12 -","- C144 H224 I48 N32 Ni8 S48 -","4","0.5","","Francesco Bigoli; Paola Deplano; Francesco A. Devillanova; John. R. Ferraro; Vito Lippolis; Peter J. Lukes; Maria Laura Mercuri; Maria Angela Pellinghelli; Emanuele F. Trogu; Jack M. Williams","Syntheses, X-ray Crystal Structures, and Spectroscopic Properties of New Nickel Dithiolenes and Related Compounds","Inorganic Chemistry","1997","36","","1218","1226","10.1021/ic960930c","","","0.71073","Mo_Kα","","","0.0356","","","0.045","","","","","1.136","1.136","","","","","has coordinates","284577","2023-06-29","09:30:39",""
"4323340","13.104","0.006","15.091","0.006","6.067","0.007","90","0","103","0.02","90","0","1169","1.5","295","","","","","","","","","","chemical synthesis","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 N4 S6 -","- C22 H18 N4 S6 -","- C44 H36 N8 S12 -","2","0.5","","Francesco Bigoli; Paola Deplano; Francesco A. Devillanova; John. R. Ferraro; Vito Lippolis; Peter J. Lukes; Maria Laura Mercuri; Maria Angela Pellinghelli; Emanuele F. Trogu; Jack M. Williams","Syntheses, X-ray Crystal Structures, and Spectroscopic Properties of New Nickel Dithiolenes and Related Compounds","Inorganic Chemistry","1997","36","","1218","1226","10.1021/ic960930c","","","1.54184","Cu_Kα","","","0.066","","","0.0639","","","","","1.652","1.652","","","","","has coordinates","284577","2023-06-29","09:30:39",""
"4323341","18.717","0.005","8.846","0.006","14.475","0.005","90","0","97.78","0.02","90","0","2374.6","1.9","295","","295","","","","","","","","chemical synthesis","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 N4 S4 -","- C18 H30 N4 S4 -","- C72 H120 N16 S16 -","4","0.5","","Francesco Bigoli; Paola Deplano; Francesco A. Devillanova; John. R. Ferraro; Vito Lippolis; Peter J. Lukes; Maria Laura Mercuri; Maria Angela Pellinghelli; Emanuele F. Trogu; Jack M. Williams","Syntheses, X-ray Crystal Structures, and Spectroscopic Properties of New Nickel Dithiolenes and Related Compounds","Inorganic Chemistry","1997","36","","1218","1226","10.1021/ic960930c","","","1.54184","Cu_Kα","","","0.0472","","0.0646","","","","","","0.841","0.841","","","","","has coordinates","284577","2023-06-29","09:30:39",""
"4323342","18.806","0.005","5.628","0.007","23.665","0.005","90","0","90","0","90","0","2505","3","295","","295","","","","","","","","chemical synthesis","5","P n a 21","P 2c -2n","33","","","","- C18 H28 N4 Ni S6 -","- C18 H28 N4 Ni S6 -","- C72 H112 N16 Ni4 S24 -","4","1","","Francesco Bigoli; Paola Deplano; Francesco A. Devillanova; John. R. Ferraro; Vito Lippolis; Peter J. Lukes; Maria Laura Mercuri; Maria Angela Pellinghelli; Emanuele F. Trogu; Jack M. Williams","Syntheses, X-ray Crystal Structures, and Spectroscopic Properties of New Nickel Dithiolenes and Related Compounds","Inorganic Chemistry","1997","36","","1218","1226","10.1021/ic960930c","","","1.54184","Cu_Kα","","","0.0463","","","0.0621","","","","","1.0744","1.0744","","","","","has coordinates","284577","2023-06-29","09:30:39",""
"4323343","9.126","0.007","9.153","0.007","12.924","0.006","82.11","0.02","70.14","0.02","72.51","0.02","967.7","1.2","295","","295","","","","","","","","chemical synthesis","6","P -1","-P 1","2","","","","- C18 H28 I4.5 N4 Ni S6 -","- C18 H28 I8 N4 Ni S6 -","- C18 H28 I8 N4 Ni S6 -","1","0.5","","Francesco Bigoli; Paola Deplano; Francesco A. Devillanova; John. R. Ferraro; Vito Lippolis; Peter J. Lukes; Maria Laura Mercuri; Maria Angela Pellinghelli; Emanuele F. Trogu; Jack M. Williams","Syntheses, X-ray Crystal Structures, and Spectroscopic Properties of New Nickel Dithiolenes and Related Compounds","Inorganic Chemistry","1997","36","","1218","1226","10.1021/ic960930c","","","0.71073","Mo_Kα","","","0.0732","","","0.0748","","","","","","","","","","","has coordinates","284577","2023-06-29","09:30:39",""
"4323344","12.229","0.001","12.79","0.001","20.215","0.001","90","","90","","90","","3161.8","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Chiragen[3]","1,3-Bis([4,5]-pinenyl-2,2'-bipyridine)-propane","","- C37 H40 N4 O -","- C37 H40 N4 O -","- C148 H160 N16 O4 -","4","1","","Nicholas C. Fletcher; F. Richard Keene; Heiko Viebrock; Alex von Zelewsky","Molecular Architecture of Polynuclear Ruthenium Bipyridyl Complexes with Controlled Metal Helicity","Inorganic Chemistry","1997","36","","1113","1121","10.1021/ic960948n","","","0.71073","MoKα","","0.1187","0.0554","","0.1344","0.113","","","","0.937","1.111","1.111","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323345","10.321","0.002","11.116","0.002","13.434","0.003","107.57","0.03","111.31","0.03","90.67","0.03","1356","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H84 Cl2 Gd2 N4 O2 Si4 -","- C39 H84 Cl2 Gd2 N4 O2 Si4 -","- C39 H84 Cl2 Gd2 N4 O2 Si4 -","1","0.5","","Syed A. A. Shah; Hendrik Dorn; Herbert W. Roesky; Paolo Lubini; Hans-Georg Schmidt","Novel Cyclopentadienyl-Free Organolanthanides: The First Examples of Five-Membered Amidolanthanide Heterocycles","Inorganic Chemistry","1997","36","","1102","1106","10.1021/ic961033b","","","0.71073","MoKα","","0.0234","0.0233","","0.0634","0.0633","","","","1.185","1.185","1.185","","","","","has coordinates,has disorder","179336","2020-10-21","18:00:00",""
"4323346","13.913","0.013","12.914","0.009","16.434","0.014","90","","105.64","0.03","90","","2843","4","193","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H76 Cl2 Gd2 N4 O4 Si4 -","- C48 H76 Cl2 Gd2 N4 O4 Si4 -","- C96 H152 Cl4 Gd4 N8 O8 Si8 -","2","0.5","","Syed A. A. Shah; Hendrik Dorn; Herbert W. Roesky; Paolo Lubini; Hans-Georg Schmidt","Novel Cyclopentadienyl-Free Organolanthanides: The First Examples of Five-Membered Amidolanthanide Heterocycles","Inorganic Chemistry","1997","36","","1102","1106","10.1021/ic961033b","","","0.71073","MoKα","","0.0323","0.0281","","0.072","0.0694","","","","1.106","1.113","1.113","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323347","11.045","0.002","16.12","0.003","16.949","0.003","66.17","0.03","85.51","0.03","78.27","0.03","2702.8","1.1","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H78 F6 Gd2 N4 O6 Si4 -","- C36 H78 F6 Gd2 N4 O6 Si4 -","- C72 H156 F12 Gd4 N8 O12 Si8 -","2","1","","Syed A. A. Shah; Hendrik Dorn; Herbert W. Roesky; Paolo Lubini; Hans-Georg Schmidt","Novel Cyclopentadienyl-Free Organolanthanides: The First Examples of Five-Membered Amidolanthanide Heterocycles","Inorganic Chemistry","1997","36","","1102","1106","10.1021/ic961033b","","","0.71073","MoKα","","0.0366","0.0311","","0.0853","0.0815","","","","1.01","1.032","1.032","","","","","has coordinates,has disorder","179336","2020-10-21","18:00:00",""
"4323348","11.183","0.003","12.616","0.003","13.815","0.003","74.582","0.007","70.088","0.011","81.48","0.014","1763","0.8","295","2","295","2","","","","","","","","6","P -1","-P 1","2","Compound_4","","","- C56 H84 Ag2 N6 Si8 Sn2 -","- C28 H42 Ag N3 Si4 Sn -","- C56 H84 Ag2 N6 Si8 Sn2 -","2","1","","Bernd Findeis; Lutz H. Gade; Ian J. Scowen; Mary McPartlin","Ligand Exchange and Molecular Aggregation of an Ag-Sn Heterobimetallic Complex: First Structural Characterization of an Ag-Sn Bond","Inorganic Chemistry","1997","36","","960","961","10.1021/ic9611352","","","0.71073","MoKα","","0.0688","0.0389","","0.1058","0.0811","","","","1.02","1.028","1.028","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323349","5.9552","0.0006","10.2753","0.0008","9.5595","0.0009","90","","90","","90","","584.96","0.09","293","2","293","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","Strontium gallium nitride","","- Ga2 N4 Sr3 -","- Ga2 N4 Sr3 -","- Ga8 N16 Sr12 -","4","0.5","","S. J. Clarke; F. J. DiSalvo","Synthesis and Structure of One-, Two-, and Three-Dimensional Alkaline Earth Metal Gallium Nitrides: Sr3Ga2N4, Ca3Ga2N4, and Sr3Ga3N5","Inorganic Chemistry","1997","36","","1143","1148","10.1021/ic9612562","","","0.71073","MoKα","","0.0339","0.0264","","0.0591","0.0561","","","","1.09","1.109","1.109","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323350","10.6901","0.0011","8.3655","0.0007","5.5701","0.0004","90","","91.194","0.006","90","","498.01","0.08","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Calcium gallium nitride","","- Ca3 Ga2 N4 -","- Ca3 Ga2 N4 -","- Ca12 Ga8 N16 -","4","0.5","","S. J. Clarke; F. J. DiSalvo","Synthesis and Structure of One-, Two-, and Three-Dimensional Alkaline Earth Metal Gallium Nitrides: Sr3Ga2N4, Ca3Ga2N4, and Sr3Ga3N5","Inorganic Chemistry","1997","36","","1143","1148","10.1021/ic9612562","","","0.71073","MoKα","","0.0204","0.0174","","0.0423","0.0415","","","","1.112","1.159","1.159","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323351","5.9358","0.0006","7.2383","0.0008","8.6853","0.0012","108.332","0.01","103.783","0.009","95.326","0.008","338.28","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Strontium gallium nitride","","- Ga3 N5 Sr3 -","- Ga3 N5 Sr3 -","- Ga6 N10 Sr6 -","2","1","","S. J. Clarke; F. J. DiSalvo","Synthesis and Structure of One-, Two-, and Three-Dimensional Alkaline Earth Metal Gallium Nitrides: Sr3Ga2N4, Ca3Ga2N4, and Sr3Ga3N5","Inorganic Chemistry","1997","36","","1143","1148","10.1021/ic9612562","","","0.71073","MoKα","","0.0439","0.0388","","0.1016","0.0976","","","","1.092","1.118","1.118","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323352","14.685","0.002","8.509","0.003","14.96","0.003","90","","104.46","0.01","90","","1810.1","0.8","20","","20","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 Br Cr Mo O6 -","- C68 H36 Br4 Cr4 Mo4 O24 -","- C68 H36 Br4 Cr4 Mo4 O24 -","","","","Changtao Qian; Jianhua Guo; Jie Sun; Jian Chen; Peiju Zheng","Heterobimetallic Complexes with Phenylcyclopentadienyl Ligand: Syntheses and Structures of Tricarbonylchromium-η6,η5-Phenylcyclopentadienyl-Transition Metal Complexes1","Inorganic Chemistry","1997","36","","1286","1295","10.1021/ic951630i","","","0.7107","MoKalpha","","","0.037","","","0.037","","","","","1.31","1.31","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323353","11.66","0.004","12.578","0.005","6.987","0.002","100.03","0.03","104.19","0.02","71.99","0.03","939.4","0.6","20","","20","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H11 Cr Mo O6 -","- C42 H22 Cr2 Mn2 O12 -","- C42 H22 Cr2 Mn2 O12 -","","","","Changtao Qian; Jianhua Guo; Jie Sun; Jian Chen; Peiju Zheng","Heterobimetallic Complexes with Phenylcyclopentadienyl Ligand: Syntheses and Structures of Tricarbonylchromium-η6,η5-Phenylcyclopentadienyl-Transition Metal Complexes1","Inorganic Chemistry","1997","36","","1286","1295","10.1021/ic951630i","","","0.7107","MoKalpha","","","0.048","","","0.065","","","","","2.37","2.37","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323354","14.033","0.004","16.163","0.006","10.411","0.003","104.22","0.03","103.5","0.02","90.81","0.03","2219.4","1.3","20","","20","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H45 Cl Cr O4 P2 Ru -","- C100 Cl2 Cr2 O10 P4 Ru2 -","- C100 Cl2 Cr2 O10 P4 Ru2 -","","","","Changtao Qian; Jianhua Guo; Jie Sun; Jian Chen; Peiju Zheng","Heterobimetallic Complexes with Phenylcyclopentadienyl Ligand: Syntheses and Structures of Tricarbonylchromium-η6,η5-Phenylcyclopentadienyl-Transition Metal Complexes1","Inorganic Chemistry","1997","36","","1286","1295","10.1021/ic951630i","","","0.7107","MoKalpha","","","0.081","","","0.096","","","","","2.76","2.76","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323355","15.083","0.005","16.391","0.005","6.351","0.004","90","","90","","90","","1570.1","1.2","20","","20","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Co Cr O5 -","- C64 H36 Co4 Cr4 O20 -","- C64 H36 Co4 Cr4 O20 -","","","","Changtao Qian; Jianhua Guo; Jie Sun; Jian Chen; Peiju Zheng","Heterobimetallic Complexes with Phenylcyclopentadienyl Ligand: Syntheses and Structures of Tricarbonylchromium-η6,η5-Phenylcyclopentadienyl-Transition Metal Complexes1","Inorganic Chemistry","1997","36","","1286","1295","10.1021/ic951630i","","","0.7107","MoKalpha","","","0.036","","","0.039","","","","","1.49","1.49","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323356","29.616","0.008","12.861","0.005","12.397","0.007","90","","90","","90","","4722","3","20","","20","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H20 Cr2 O6 -","- C224 H160 Cr16 O48 -","- C224 H160 Cr16 O48 -","","","","Changtao Qian; Jianhua Guo; Jie Sun; Jian Chen; Peiju Zheng","Heterobimetallic Complexes with Phenylcyclopentadienyl Ligand: Syntheses and Structures of Tricarbonylchromium-η6,η5-Phenylcyclopentadienyl-Transition Metal Complexes1","Inorganic Chemistry","1997","36","","1286","1295","10.1021/ic951630i","","","0.7107","MoKalpha","","","0.045","","","0.045","","","","","1.36","1.36","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323357","12.361","0.004","12.487","0.006","12.531","0.007","90","","93.48","0.04","90","","1930.6","1.6","20","","20","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 Cr O5 Ti -","- C84 H56 Cr4 O20 Ti4 -","- C84 H56 Cr4 O20 Ti4 -","","","","Changtao Qian; Jianhua Guo; Jie Sun; Jian Chen; Peiju Zheng","Heterobimetallic Complexes with Phenylcyclopentadienyl Ligand: Syntheses and Structures of Tricarbonylchromium-η6,η5-Phenylcyclopentadienyl-Transition Metal Complexes1","Inorganic Chemistry","1997","36","","1286","1295","10.1021/ic951630i","","","0.7107","MoKalpha","","","0.0469","","","0.048","","","","","1.665","1.665","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323358","31.857","0.005","11.119","0.002","22.414","0.003","90","0","97.82","0.01","90","0","7866","2","295","","295","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H38 B F4 M N3 O7 P2 -","- C30 H37 B F4 Mn N2 O7 P2 -","- C240 H296 B8 F32 Mn8 N16 O56 P16 -","8","1","","Gabriele Albertin; Stefano Antoniutti; Alessia Bacchi; Emilio Bordignon; Fabio Busatto; Giancarlo Pelizzi","Aryldiazene, Aryldiazenido, and Hydrazine Complexes of Manganese. Preparation, Characterization, and X-ray Crystal Structures of [Mn(CO)3(4-CH3C6H4NNH){PPh(OEt)2}2]BF4 and [Mn(CO)3(NH2NH2){PPh(OEt)2}2]BPh4 Derivatives","Inorganic Chemistry","1997","36","","1296","1305","10.1021/ic9608612","","","0.71069","MoKα","","0.22","0.0708","","0.36","","","","","1.98","","","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4323359","13.772","0.003","14.951","0.004","13.319","0.003","104.47","0.01","100.32","0.01","111.08","0.01","2365.4","1","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C47 H54 B M N3 O7 P2 -","- C47 H54 B Mn N2 O7 P2 -","- C94 H108 B2 Mn2 N4 O14 P4 -","2","1","","Gabriele Albertin; Stefano Antoniutti; Alessia Bacchi; Emilio Bordignon; Fabio Busatto; Giancarlo Pelizzi","Aryldiazene, Aryldiazenido, and Hydrazine Complexes of Manganese. Preparation, Characterization, and X-ray Crystal Structures of [Mn(CO)3(4-CH3C6H4NNH){PPh(OEt)2}2]BF4 and [Mn(CO)3(NH2NH2){PPh(OEt)2}2]BPh4 Derivatives","Inorganic Chemistry","1997","36","","1296","1305","10.1021/ic9608612","","","0.71069","MoKα","","0.094","0.0511","","0.173","","","","","1.024","","","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4323360","12.449","0.002","17.583","0.003","23.111","0.003","90","","90","","90","","5058.8","1.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H42 Cl5 Hg2 N2 O5 P3 -","- C46 H42 Cl5 Hg2 N2 O5 P3 -","- C184 H168 Cl20 Hg8 N8 O20 P12 -","4","1","","Dietrich Gudat; Martin Nieger; Martin Schrott","Reactions of Bis(triphenylphosphonio)isophosphindolide Salts with Mercury(II) Compounds: Coordination Induced Addition and Oxidation Reactions and Synthesis of a Monomeric 1:1 Complex of the Type [R2(R'O)P]HgBr2","Inorganic Chemistry","1997","36","","1476","1481","10.1021/ic960883o","","","0.71073","MoKα","","0.0764","0.045","","0.1028","0.097","","","","0.889","0.993","0.993","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323361","20.028","0.002","15.513","0.002","30.247","0.008","90","","91.91","0.01","90","","9392","3","208","2","208","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Dibromo-(2-methoxy-1,3-bis(triphenylphosphonio)-isophosphindol)- quecksilber(II)","","- C47 H41 Br2 Cl4 Hg O P3 -","- C47 H41 Br2 Cl4 Hg O P3 -","- C376 H328 Br16 Cl32 Hg8 O8 P24 -","8","1","","Dietrich Gudat; Martin Nieger; Martin Schrott","Reactions of Bis(triphenylphosphonio)isophosphindolide Salts with Mercury(II) Compounds: Coordination Induced Addition and Oxidation Reactions and Synthesis of a Monomeric 1:1 Complex of the Type [R2(R'O)P]HgBr2","Inorganic Chemistry","1997","36","","1476","1481","10.1021/ic960883o","","","1.54178","CuKa","","0.0698","0.0568","","0.1774","0.1648","","","","1.115","1.145","1.145","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323362","18.174","0.002","7.8881","0.0008","18.881","0.002","90","","93.036","0.008","90","","2702.9","0.5","295","2","295","2","","","","","","","current publication","6","C 1 2/c 1","-C 2yc","15","","Tetraphenylphosphonium trans-dicyano-bis(trifluoromethyl)argentate(III)","","- C28 H20 Ag F6 N2 P -","- C28 H20 Ag F6 N2 P -","- C112 H80 Ag4 F24 N8 P4 -","4","0.5","","Reint Eujen; Berthold Hoge; David J. Brauer","Preparation and NMR Spectra of the (Trifluoromethyl)argentates(III) [Ag(CF~3~)~n~X~4-n~]^-^, with X = CN (n= 1-3), CH~3~, C\τbCC~6~H~11~, Cl, Br (n= 2, 3), and I (n= 3), and of Related Silver(III) Compounds. Structures of [PPh~4~][trans-Ag(CF~3~)~2~(CN)~2~] and [PPh~4~][Ag(CF~3~)~3~CH~3~].","Inorganic Chemistry","1997","36","","1464","1475","10.1021/ic9610445","","","1.54184","CuKα","","0.0396","0.0341","","0.0944","0.0898","","","","1.077","1.102","1.102","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323363","24.941","0.003","7.2629","0.0006","14.9985","0.0014","90","","90","","90","","2716.9","0.5","291","2","291","2","","","","","","","current publication","5","P c a 21","P 2c -2ac","29","","Tetraphenylphosphonium tris(trifluoromethyl)methylargenate(III)","","- C28 H23 Ag F9 P -","- C28 H23 Ag F9 P -","- C112 H92 Ag4 F36 P4 -","4","1","","Reint Eujen; Berthold Hoge; David J. Brauer","Preparation and NMR Spectra of the (Trifluoromethyl)argentates(III) [Ag(CF~3~)~n~X~4-n~]^-^, with X = CN (n= 1-3), CH~3~, C\τbCC~6~H~11~, Cl, Br (n= 2, 3), and I (n= 3), and of Related Silver(III) Compounds. Structures of [PPh~4~][trans-Ag(CF~3~)~2~(CN)~2~] and [PPh~4~][Ag(CF~3~)~3~CH~3~].","Inorganic Chemistry","1997","36","","1464","1475","10.1021/ic9610445","","","1.54184","CuKα","","0.038","0.032","","0.0824","0.0785","","","","1.043","1.074","1.074","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323364","9.338","0.008","10.001","0.003","16.28","0.006","75.88","0.03","74.2","0.06","69.55","0.05","1351.9","1.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23 N Os S4 -","- C31 H23 N Os S4 -","- C62 H46 N2 Os2 S8 -","2","1","","Dieter Sellmann; Michael W. Wemple; Wolfgang Donaubauer; Frank W. Heinemann","Synthesis, Structure, and Reactivity of Ruthenium and Osmium Nitrido Complexes with 1,2-Benzenedithiolate Ligands: N- versus S-Alkylation","Inorganic Chemistry","1997","36","","1397","1402","10.1021/ic961240b","","","0.71073","MoKα","","0.037","0.0344","","0.0897","0.0892","","","","1.057","1.113","1.113","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4323365","36.881","0.006","9.402","0.002","17.652","0.002","90","","90","","90","","6120.9","1.8","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H44 N2 Ru S4 -","- C28 H44 N2 Ru S4 -","- C224 H352 N16 Ru8 S32 -","8","2","","Dieter Sellmann; Michael W. Wemple; Wolfgang Donaubauer; Frank W. Heinemann","Synthesis, Structure, and Reactivity of Ruthenium and Osmium Nitrido Complexes with 1,2-Benzenedithiolate Ligands: N- versus S-Alkylation","Inorganic Chemistry","1997","36","","1397","1402","10.1021/ic961240b","","","0.71073","MoKα","","0.0453","0.0252","","0.042","0.0399","","","","0.635","0.771","0.771","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323366","37.042","0.004","9.375","0.002","17.671","0.002","90","","90","","90","","6136.6","1.6","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H44 N2 Os S4 -","- C28 H44 N2 Os S4 -","- C224 H352 N16 Os8 S32 -","8","2","","Dieter Sellmann; Michael W. Wemple; Wolfgang Donaubauer; Frank W. Heinemann","Synthesis, Structure, and Reactivity of Ruthenium and Osmium Nitrido Complexes with 1,2-Benzenedithiolate Ligands: N- versus S-Alkylation","Inorganic Chemistry","1997","36","","1397","1402","10.1021/ic961240b","","","0.71073","MoKα","","0.0733","0.0386","","0.0803","0.0734","","","","0.776","0.954","0.954","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323367","8.552","0.001","10.772","0.002","19.716","0.003","90","","90","","90","","1816.3","0.5","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Cl2 N Os S4 -","- C14 H13 Cl2 N Os S4 -","- C56 H52 Cl8 N4 Os4 S16 -","4","1","","Dieter Sellmann; Michael W. Wemple; Wolfgang Donaubauer; Frank W. Heinemann","Synthesis, Structure, and Reactivity of Ruthenium and Osmium Nitrido Complexes with 1,2-Benzenedithiolate Ligands: N- versus S-Alkylation","Inorganic Chemistry","1997","36","","1397","1402","10.1021/ic961240b","","","0.71073","MoKα","","0.0396","0.0362","","0.0848","0.0843","","","","0.962","1.02","1.02","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323368","10.5801","0.0008","17.732","0.002","19.309","0.004","102.467","0.012","90.7","0.011","91.701","0.008","3534.9","0.9","294","1","294","1","","","","","","","synthesized by the authors","6","P -1","-P 1","2","","Bis[uranylbis(dibenzoylmethanato)]malonyldianilide","","- C76 H59 Cl3 N2 O14 U2 -","- C76 H59 Cl3 N2 O14 U2 -","- C152 H118 Cl6 N4 O28 U4 -","2","1","","Shanmugaperumal Kannan; George Ferguson","Synthesis and Crystal Structure of (μ-Malonanilide-O,O')bis[bis(dibenzoylmethanato)dioxouranium(VI)]: A New Coordination Mode of the Malonamide Ligand","Inorganic Chemistry","1997","36","","1724","1725","10.1021/ic960626j","","","0.7107","MolybdenumKα","","0.1436","0.0558","","0.1095","0.0936","","","","0.9","1.169","1.169","","","","","has coordinates,has disorder","179336","2020-10-21","18:00:00",""
"4323369","9.024","0.003","21.886","0.008","23.184","0.006","90","","90","","90","","4579","3","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C41 H77 Co N7 -","- C20.5 H35.5 Co0.5 N3.5 -","- C164 H284 Co4 N28 -","8","1","","Ingrid K. Meier; Ronald M. Pearlstein; Dorai Ramprasad; Guido P. Pez","Tetrabutylammonium Tetracyanocobaltate(II) Dioxygen Carriers","Inorganic Chemistry","1997","36","","1707","1714","10.1021/ic9608004","","","0.71073","MoKα","","0.2122","0.1013","","0.3022","0.2523","","","","1.383","1.715","1.715","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323370","11.188","0.001","30.936","0.004","23.985","0.002","90","","90","","90","","8301.5","1.5","290.2","","290.2","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C42 H100 Ga Mo3 O47 S10 -","- C42 H100 Ga Mo3 O47 S10 -","- C168 H400 Ga4 Mo12 O188 S40 -","4","1","","Takashi Shibahara; Syoji Kobayashi; Naoki Tsuji; Genta Sakane; Minoru Fukuhara","Sulfur-Bridged Cubane-Type Molybdenum-Gallium Clusters with Mo3GaS4n+ (n = 5, 6) Cores. X-ray Structures of [Mo3GaS4(H2O)12](CH3C6H4SO3)5.14H2O and [Mo3GaS4(H2O)12](CH3C6H4SO3)6.17H2O","Inorganic Chemistry","1997","36","","1702","1706","10.1021/ic960897u","","","0.7107","MoKα","","","0.0586","","","0.0641","","","","","1.482","1.482","","","","","has coordinates","190776","2020-10-21","18:00:00",""
"4323371","16.406","0.004","16.743","0.003","13.173","0.004","90.64","0.02","98.4","0.02","89.32","0.02","3579.2","1.5","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H87 Ga Mo3 O41 S9 -","- C35 H87 Ga Mo3 O41 S9 -","- C70 H174 Ga2 Mo6 O82 S18 -","2","1","","Takashi Shibahara; Syoji Kobayashi; Naoki Tsuji; Genta Sakane; Minoru Fukuhara","Sulfur-Bridged Cubane-Type Molybdenum-Gallium Clusters with Mo3GaS4n+ (n = 5, 6) Cores. X-ray Structures of [Mo3GaS4(H2O)12](CH3C6H4SO3)5.14H2O and [Mo3GaS4(H2O)12](CH3C6H4SO3)6.17H2O","Inorganic Chemistry","1997","36","","1702","1706","10.1021/ic960897u","","","0.7107","MoKα","","","0.0674","","","0.1009","","","","","1.378","1.378","","","","","has coordinates","190776","2020-10-21","18:00:00",""
"4323372","10.841","0.003","13.668","0.002","22.33","0.003","90","","103.09","0.01","90","","3222.8","1.1","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","[SP-4-4-[(R~C~),(R~P~,R~P~)]]-bis[1-[1-dimethylamino)ethyl]-2-phenyl- C^2^,N](1,1,4,7,10,10-hexaphenyl-1,4,7,10-tetraphosphadecane- P,P,P,P)dipalladium(II) hexafluorophosphate","","- C62 H70 F12 N2 P6 Pd2 -","- C62 H70 F12 N2 P6 Pd2 -","- C124 H140 F24 N4 P12 Pd4 -","2","1","","Anthea L. Airey; Gerhard F. Swiegers; Anthony C. Willis; S. Bruce Wild","Self-Assembly of Homochiral Double Helix and Side-by-Side Helix Conformers of Double-Stranded Disilver(I)- and Digold(I)-Tetra(tertiary phosphine) Helicates","Inorganic Chemistry","1997","36","","1588","1597","10.1021/ic9610344","","","0.71069","MoKα","","0.054","0.036","","0.039","0.034","","","","2.01","2.043","2.043","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4323373","10.435","0.002","10.435","","41.04","0.004","90","","90","","90","","4468.8","1","213.2","","213.2","","","","","","","","","6","P 43","P 4cw","78","","[T-4-[(R-(R~*~,R~*~)]]-Λ-(‒)-(1,1,4,7,10,10-hexaphenyl-1,4,7,10- tetraphosphadecane)copper(I) hexafluorophosphate ethanol-solvate","","- C44 H48 Cu F6 O P5 -","- C44 H42 Cu F6 O P5 -","- C176 H168 Cu4 F24 O4 P20 -","4","1","","Anthea L. Airey; Gerhard F. Swiegers; Anthony C. Willis; S. Bruce Wild","Self-Assembly of Homochiral Double Helix and Side-by-Side Helix Conformers of Double-Stranded Disilver(I)- and Digold(I)-Tetra(tertiary phosphine) Helicates","Inorganic Chemistry","1997","36","","1588","1597","10.1021/ic9610344","","","1.5418","CuKα","","","0.03","","","0.034","","","","","1.92","1.92","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323374","12.42","0.004","12.641","0.004","27.27","0.009","92.59","0.03","94.82","0.03","99.15","0.03","4205","2","293","","293","","","","","","","","","5","P 1","P 1","1","","[T-4-[(R-(R~*~,R~*~)]]-Λ-(‒)-bis(1,1,4,7,10,10-hexaphenyl-1,4,7,10- tetraphosphadecane)disilver(I) hexafluorophosphate","","- C84 H84 Ag2 F12 P10 -","- C84 H84 Ag2 F12 P10 -","- C168 H168 Ag4 F24 P20 -","2","2","","Anthea L. Airey; Gerhard F. Swiegers; Anthony C. Willis; S. Bruce Wild","Self-Assembly of Homochiral Double Helix and Side-by-Side Helix Conformers of Double-Stranded Disilver(I)- and Digold(I)-Tetra(tertiary phosphine) Helicates","Inorganic Chemistry","1997","36","","1588","1597","10.1021/ic9610344","","","0.71069","MoKα","","0.135","0.07","","0.109","0.066","","","","2.473","2.039","2.039","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4323375","15.924","0.005","18.392","0.007","29.384","0.007","90","","90","","90","","8606","5","293.2","","293.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[T-4-[(R-(R~*~,R~*~)]]-Λ-(‒)-bis(1,1,4,7,10,10-hexaphenyl-1,4,7,10- tetraphosphadecane)digold(I) hexafluorophosphate dichloromethane-solvate","","- C85 H86 Au2 Cl2 F12 P10 -","- C85 H86 Au2 Cl2 F12 P10 -","- C340 H344 Au8 Cl8 F48 P40 -","4","1","","Anthea L. Airey; Gerhard F. Swiegers; Anthony C. Willis; S. Bruce Wild","Self-Assembly of Homochiral Double Helix and Side-by-Side Helix Conformers of Double-Stranded Disilver(I)- and Digold(I)-Tetra(tertiary phosphine) Helicates","Inorganic Chemistry","1997","36","","1588","1597","10.1021/ic9610344","","","0.7107","MoKα","","","0.035","","","0.022","","","","","1.22","1.22","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323376","8.105","0.003","8.263","0.003","17.663","0.004","100.29","0.02","99.775","0.015","98.81","0.02","1126.3","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 Mo P2 S4 -","- C20 H26 Mo P2 S4 -","- C40 H52 Mo2 P4 S8 -","2","1","","Philip J. Blower; John C. Jeffery; John R. Miller; Spencer N. Salek; Dirk Schmaljohann; Raymond J. Smith; Michael J. Went","Template Synthesis and Reactions of Tricarbonylmolybdenum Phosphadithiamacrocycle Complexes","Inorganic Chemistry","1997","36","","1578","1582","10.1021/ic961143i","","","0.71073","MoKα","","0.0208","0.0201","","0.0516","0.0505","","","","1.151","1.148","1.148","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323377","9.6","0.003","15.594","0.005","11.335","0.003","90","","93.01","0.02","90","","1694.5","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Mo O3 P S2 -","- C15 H17 Mo O3 P S2 -","- C60 H68 Mo4 O12 P4 S8 -","4","1","","Philip J. Blower; John C. Jeffery; John R. Miller; Spencer N. Salek; Dirk Schmaljohann; Raymond J. Smith; Michael J. Went","Template Synthesis and Reactions of Tricarbonylmolybdenum Phosphadithiamacrocycle Complexes","Inorganic Chemistry","1997","36","","1578","1582","10.1021/ic961143i","","","0.71073","MoKα","","0.0233","0.0225","","0.0558","0.0552","","","","1.144","1.146","1.146","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323378","17.039","0.003","8.686","0.002","12.466","0.003","90","","100.52","0.02","90","","1814","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Br2 Mo O2 P S2 -","- C14 H17 Br2 Mo O2 P S2 -","- C56 H68 Br8 Mo4 O8 P4 S8 -","4","1","","Philip J. Blower; John C. Jeffery; John R. Miller; Spencer N. Salek; Dirk Schmaljohann; Raymond J. Smith; Michael J. Went","Template Synthesis and Reactions of Tricarbonylmolybdenum Phosphadithiamacrocycle Complexes","Inorganic Chemistry","1997","36","","1578","1582","10.1021/ic961143i","","","0.71073","MoKα","","0.0822","0.0577","","0.1504","0.1398","","","","0.97","1.085","1.085","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323379","6.65","0.004","7.313","0.002","14.687","0.009","90","","101.62","0.03","90","","699.6","0.6","291","","291","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-phenyl,1-sulfido(1-phospha-4,7-dithiacyclononane)","","- C12 H17 P S3 -","- C12 H17 P S3 -","- C24 H34 P2 S6 -","2","1","","Philip J. Blower; John C. Jeffery; John R. Miller; Spencer N. Salek; Dirk Schmaljohann; Raymond J. Smith; Michael J. Went","Template Synthesis and Reactions of Tricarbonylmolybdenum Phosphadithiamacrocycle Complexes","Inorganic Chemistry","1997","36","","1578","1582","10.1021/ic961143i","","","0.71073","Mo-Kα","","0.077","0.07","","","0.096","","","","","3.857","3.857","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323380","12.949","0.003","13.009","0.003","22.98","0.005","96.89","0.03","103.53","0.03","106.43","0.03","3537.3","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H68 N8 O6 P4 Pt2 S4 -","- C68 H68 N8 O6 P4 Pt2 S4 -","- C136 H136 N16 O12 P8 Pt4 S8 -","2","1","","Enrique Colacio; Rafael Cuesta; Mustapha Ghazi; M. Angeles Huertas; Jose M. Moreno; Antonio Navarrete","Metal-Purine Interactions: Homo- and Heterodinuclear Platinum(II) and/or Palladium(II) Complexes of 8-Thiotheophylline. Crystal Structures of [Pt(μ-TT)(dppm)]2.2DMSO and [(dppm)Pt(μ-TT)2Pd(dppm)].7H2O","Inorganic Chemistry","1997","36","","1652","1656","10.1021/ic961288p","","","0.71073","MoKα","","0.0594","0.0453","","0.1199","0.1037","","","","1.009","1.013","1.013","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323381","16.56","0.005","17.063","0.005","24.428","0.005","90","","90","","90","","6902","3","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C64 H70 N8 O11 P4 Pd Pt S2 -","- C64 H56 N8 O11 P4 Pd Pt S2 -","- C256 H224 N32 O44 P16 Pd4 Pt4 S8 -","4","1","","Enrique Colacio; Rafael Cuesta; Mustapha Ghazi; M. Angeles Huertas; Jose M. Moreno; Antonio Navarrete","Metal-Purine Interactions: Homo- and Heterodinuclear Platinum(II) and/or Palladium(II) Complexes of 8-Thiotheophylline. Crystal Structures of [Pt(μ-TT)(dppm)]2.2DMSO and [(dppm)Pt(μ-TT)2Pd(dppm)].7H2O","Inorganic Chemistry","1997","36","","1652","1656","10.1021/ic961288p","","","0.71069","MoKα","","0.0531","0.042","","0.1557","0.1071","","","","0.883","0.851","0.851","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323382","18.339","0.004","12.162","0.002","26.585","0.005","90","","106.49","0.03","90","","5686","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","not assigned","","- C36 H84 B6 N6 P6 Si2 -","- C36 H84 B6 N6 P6 Si2 -","- C144 H336 B24 N24 P24 Si8 -","4","1","","Tuqiang Chen; Eileen N. Duesler; Robert T. Paine; H. Nöth","Assembly of a Triple-Cage Species Containing B, P, and Si Atoms","Inorganic Chemistry","1997","36","","1534","1535","10.1021/ic961421d","","","0.71073","MoKα","","0.1634","0.0391","","0.0782","0.0481","","","","0.961","1.226","1.226","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323383","10.69","0.005","34.243","0.015","12.923","0.004","90","","96.17","0.03","90","","4703","3","293","2","293","2","","","","","","","see paper","5","P 1 21/n 1","-P 2yn","14","","Bis[hydrotris(3-phenylpyrazol-1-yl)borato]cobalt(II)","","- C54 H44 B2 Co N12 -","- C54 H44 B2 Co N12 -","- C216 H176 B8 Co4 N48 -","4","1","","Andreas Kremer-Aach; Wolfgang Kläui; Ralf Bell; Angela Strerath; Hartmut Wunderlich; Dietrich Mootz","Cobalt as a Probe for Zinc in Metalloenzyme Model Compounds? A Comparison of Spectroscopic Features and Coordination Geometry of Four- and Five-Coordinate Complexes. Crystal and Molecular Structures of [Co(η^3^-Tp^Ph^)(η^2^-Tp^Ph^)], [(η^3^-Tp^Ph^)Zn(anthranilate)], and [(η^3^-Tp^Ph^)M(η^2^-acac)] (Tp^Ph^ = Hydrotris(3-phenylpyrazol-1-yl)borate, acac = Pentane-2,4-dionate, and M = Zn, Co)","Inorganic Chemistry","1997","36","","1552","1563","10.1021/ic961434r","","","0.71073","MoKα","","0.0816","0.0403","","0.2197","0.099","","","","0.961","1.049","1.049","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323384","13.205","0.004","15.643","0.003","15.116","0.003","90","","98.86","0.02","90","","3085.2","1.3","293","2","293","2","","","","","","","see paper","6","P 1 21/n 1","-P 2yn","14","","(2-Aminobenzoato)[hydrotris(3-phenylpyrazol-1-yl)borato]zinc(II)","","- C34 H28 B N7 O2 Zn -","- C34 H28 B N7 O2 Zn -","- C136 H112 B4 N28 O8 Zn4 -","4","1","","Andreas Kremer-Aach; Wolfgang Kläui; Ralf Bell; Angela Strerath; Hartmut Wunderlich; Dietrich Mootz","Cobalt as a Probe for Zinc in Metalloenzyme Model Compounds? A Comparison of Spectroscopic Features and Coordination Geometry of Four- and Five-Coordinate Complexes. Crystal and Molecular Structures of [Co(η^3^-Tp^Ph^)(η^2^-Tp^Ph^)], [(η^3^-Tp^Ph^)Zn(anthranilate)], and [(η^3^-Tp^Ph^)M(η^2^-acac)] (Tp^Ph^ = Hydrotris(3-phenylpyrazol-1-yl)borate, acac = Pentane-2,4-dionate, and M = Zn, Co)","Inorganic Chemistry","1997","36","","1552","1563","10.1021/ic961434r","","","0.71073","MoKα","","0.0857","0.0336","","0.1487","0.0755","","","","0.778","1.028","1.028","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323385","16.334","0.003","11.545","0.002","15.816","0.003","90","","94.77","0.01","90","","2972.2","0.9","293","2","293","2","","","","","","","see paper","6","P 1 21/c 1","-P 2ybc","14","","[Hydrotris(3-phenylpyrazol-1-yl)borato](pentane-2.4-dionato)zinc(II)","","- C32 H29 B N6 O2 Zn -","- C32 H29 B N6 O2 Zn -","- C128 H116 B4 N24 O8 Zn4 -","4","1","","Andreas Kremer-Aach; Wolfgang Kläui; Ralf Bell; Angela Strerath; Hartmut Wunderlich; Dietrich Mootz","Cobalt as a Probe for Zinc in Metalloenzyme Model Compounds? A Comparison of Spectroscopic Features and Coordination Geometry of Four- and Five-Coordinate Complexes. Crystal and Molecular Structures of [Co(η^3^-Tp^Ph^)(η^2^-Tp^Ph^)], [(η^3^-Tp^Ph^)Zn(anthranilate)], and [(η^3^-Tp^Ph^)M(η^2^-acac)] (Tp^Ph^ = Hydrotris(3-phenylpyrazol-1-yl)borate, acac = Pentane-2,4-dionate, and M = Zn, Co)","Inorganic Chemistry","1997","36","","1552","1563","10.1021/ic961434r","","","0.71073","MoKα","","0.0878","0.0393","","0.1057","0.0825","","","","0.81","1.006","1.006","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323386","16.358","0.007","11.519","0.002","15.847","0.006","90","","95.3","0.03","90","","2973.2","1.8","293","2","293","2","","","","","","","see paper","6","P 1 21/c 1","-P 2ybc","14","","[Hydrotris(3-phenylpyrazol-1-yl)borato](pentane-2.4-dionato)cobalt(II)","","- C32 H29 B Co N6 O2 -","- C32 H29 B Co N6 O2 -","- C128 H116 B4 Co4 N24 O8 -","4","1","","Andreas Kremer-Aach; Wolfgang Kläui; Ralf Bell; Angela Strerath; Hartmut Wunderlich; Dietrich Mootz","Cobalt as a Probe for Zinc in Metalloenzyme Model Compounds? A Comparison of Spectroscopic Features and Coordination Geometry of Four- and Five-Coordinate Complexes. Crystal and Molecular Structures of [Co(η^3^-Tp^Ph^)(η^2^-Tp^Ph^)], [(η^3^-Tp^Ph^)Zn(anthranilate)], and [(η^3^-Tp^Ph^)M(η^2^-acac)] (Tp^Ph^ = Hydrotris(3-phenylpyrazol-1-yl)borate, acac = Pentane-2,4-dionate, and M = Zn, Co)","Inorganic Chemistry","1997","36","","1552","1563","10.1021/ic961434r","","","0.71073","MoKα","","0.0567","0.0347","","0.106","0.0892","","","","0.99","1.131","1.131","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323387","11.8719","0.0012","11.8719","0.0012","37.051","0.003","90","","90","","120","","4522.4","0.7","298","2","298","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","(Fluoro)[η^3^-hydrotris(3-tolyl-5-methylpyrazol-1-yl)borate]zinc(II)","","- C33 H34 B F N6 Zn -","- C33 H34 B F N6 Zn -","- C198 H204 B6 F6 N36 Zn6 -","6","0.333333","","Wolfgang Kläui; Uwe Schilde; Michael Schmidt","Fluoro[η3-hydrotris(3-R-5-methylpyrazol-1-yl)borato]zinc(II): The First TpZnF Complexes, Convenient Precursors to Zinc Hydride Complexes,","Inorganic Chemistry","1997","36","","1598","1601","10.1021/ic961249d","","","0.71073","MoKα","","0.0965","0.0425","","0.1271","0.0962","","","","","1.022","1.022","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323388","6.617","0.002","7.436","0.002","13.965","0.003","76.39","0.02","82.31","0.02","87.26","0.02","661.7","0.3","293","","293","","","","","","","","","7","P 1","P 1","1","","","","- C9 H15 Cl F12 N P2 Rh -","- C18 H30 Cl F12 N2 P2 Rh -","- C18 H30 Cl F12 N2 P2 Rh -","1","1","","Athanassios I. Philippopoulos; Nick Hadjiliadis; Claire E. Hart; Bruno Donnadieu; Patrick C. Mc Gowan; René Poilblanc","Transition-Metal Derivatives of a Functionalized Cyclopentadienyl Ligand. 15.Synthesis and Structures of Amino Cyclopentadienyl Derivatives of Rhodium(I) and Rhodium(III) Including Water-Soluble Compounds","Inorganic Chemistry","1997","36","","1842","1849","10.1021/ic960395g","","","0.71073","MoKα","","","0.044","","","0.0484","","","","","3.6013","3.6013","","","","","has coordinates","209078","2020-10-21","18:00:00",""
"4323389","21.183","0.002","21.18","0.003","8.324","0.002","90","","90","","90","","3734.6","1.1","25","","293","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C17 H27 B F4 Rh -","- C16.8 H16 B F4 N0.9 Rh -","- C134.4 H128 B8 F32 N7.2 Rh8 -","8","1","","Athanassios I. Philippopoulos; Nick Hadjiliadis; Claire E. Hart; Bruno Donnadieu; Patrick C. Mc Gowan; René Poilblanc","Transition-Metal Derivatives of a Functionalized Cyclopentadienyl Ligand. 15.Synthesis and Structures of Amino Cyclopentadienyl Derivatives of Rhodium(I) and Rhodium(III) Including Water-Soluble Compounds","Inorganic Chemistry","1997","36","","1842","1849","10.1021/ic960395g","","","0.71073","MoKα","","","0.0473","","","0.0526","","","","","1.0947","1.0947","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323390","27.804","0.002","17.659","0.002","27.795","0.003","90","","90","","90","","13647","2","153","2","153","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C70 H56 Cl4 F8 O3 P4 Pd2 S2 -","- C70 H56 Cl4 F8 O3 P4 Pd2 S2 -","- C560 H448 Cl32 F64 O24 P32 Pd16 S16 -","8","2","","Rafael Usón; Juan Forniés; Javier Fernández Sanz; Miguel A. Usón; Isabel Usón; Santiago Herrero","Reactions of {[Pd(μ-SC6F5)(μ-dppm)Pd](μ-SC6F5)}4.2O(C2H5)2. Crystal Structures of the Complexes [(Ph3P)Pd(μ-SC6F5)(μ-dppm)Pd(SC6F5)].1.4CH2Cl2 and [(Ph3P)Pd(μ-SC6F5)(μ-dppm)Pd(PPh3)]SO3CF3.2CH2Cl2 and ab Initio MO Calculations on the Model Systems [(H3P)Pd(μ-H2PCH2PH2)(μ-SH)Pd(PH3)]+ and [(H3P)Pd(μ-H2PCH2PH2)Pd(PH3)]2+","Inorganic Chemistry","1997","36","","1912","1922","10.1021/ic960818e","","","0.71073","MoKα","","0.0748","0.0555","","0.1341","0.1222","","","","1.005","1.026","1.026","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4323391","14.054","0.002","26.528","0.005","16.532","0.002","90","","112.034","0.012","90","","5713.4","1.6","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56.4 H39.8 Cl2.8 F10 P3 Pd2 S2 -","- C56.4 H39.8 Cl2.8 F10 P3 Pd2 S2 -","- C225.6 H159.2 Cl11.2 F40 P12 Pd8 S8 -","4","1","","Rafael Usón; Juan Forniés; Javier Fernández Sanz; Miguel A. Usón; Isabel Usón; Santiago Herrero","Reactions of {[Pd(μ-SC6F5)(μ-dppm)Pd](μ-SC6F5)}4.2O(C2H5)2. Crystal Structures of the Complexes [(Ph3P)Pd(μ-SC6F5)(μ-dppm)Pd(SC6F5)].1.4CH2Cl2 and [(Ph3P)Pd(μ-SC6F5)(μ-dppm)Pd(PPh3)]SO3CF3.2CH2Cl2 and ab Initio MO Calculations on the Model Systems [(H3P)Pd(μ-H2PCH2PH2)(μ-SH)Pd(PH3)]+ and [(H3P)Pd(μ-H2PCH2PH2)Pd(PH3)]2+","Inorganic Chemistry","1997","36","","1912","1922","10.1021/ic960818e","","","0.71073","MoKα","","0.0784","0.0559","","0.1591","0.1441","","","","1.097","1.146","1.146","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4323392","11.071","0.002","14.892","0.003","17.262","0.003","65.36","0.03","74.21","0.03","70.7","0.03","2411.3","1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H74 N6 Pb3 Sb2 -","- C43 H74 N6 Pb3 Sb2 -","- C86 H148 N12 Pb6 Sb4 -","2","1","","Michael A. Beswick; Natalie L. Cromhout; Christopher N. Harmer; Michael A. Paver; Paul R. Raithby; Moira-Ann Rennie; Alexander Steiner; Dominic S. Wright","Assembly of Mixed-Metal Cages Using Polyimido Antimony(III) Anions. Syntheses and Structures of [Sb3(NCy)4(HNCy)2]K.2(toluene), [Sb2(NCy)4]2M4 (M = Cu, Ag), and [Sb(NCy)3]2Pb3 (Cy = Cyclohexyl, C6H11)","Inorganic Chemistry","1997","36","","1740","1744","10.1021/ic961108b","","","0.71073","MoKα","","0.1337","0.0909","","0.2961","0.237","","","","1.063","1.024","1.024","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323393","18.418","0.003","11.457","0.002","24.798","0.006","90","","90.24","0.02","90","","5232.7","1.8","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H84 K N6 Sb3 -","- C50 H84 K N6 Sb3 -","- C200 H336 K4 N24 Sb12 -","4","0.5","","Michael A. Beswick; Natalie L. Cromhout; Christopher N. Harmer; Michael A. Paver; Paul R. Raithby; Moira-Ann Rennie; Alexander Steiner; Dominic S. Wright","Assembly of Mixed-Metal Cages Using Polyimido Antimony(III) Anions. Syntheses and Structures of [Sb3(NCy)4(HNCy)2]K.2(toluene), [Sb2(NCy)4]2M4 (M = Cu, Ag), and [Sb(NCy)3]2Pb3 (Cy = Cyclohexyl, C6H11)","Inorganic Chemistry","1997","36","","1740","1744","10.1021/ic961108b","","","0.71073","MoKα","","0.0305","0.0265","","0.0659","0.0634","","","","1.041","1.05","1.05","","","","","has coordinates,has disorder","179336","2020-10-21","18:00:00",""
"4323394","16.041","0.011","21.936","0.015","25.43","0.016","90","","90","","90","","8948","10","295","2","295","2","","","","","","","Brown (Ohio University)","6","P 21 21 21","P 2ac 2ab","19","Cyanocobalamin 8-butanamide","Cyanocobalamin 8-butanamide hydrate","","- C64 H127 Co N12 O31 P -","- C65 H87 Co N13 O38 P -","- C260 H348 Co4 N52 O152 P4 -","4","1","","Kenneth L. Brown; Shifa Cheng; Jeffrey D. Zubkowski; Edward J. Valente","Side Chain Entropy and the Activation of Organocobalamins for Carbon-Cobalt Bond Homolysis: Synthesis, Characterization, and Thermolysis of the Neopentyl Derivative of a Unique Cobalamin Analog Lacking a c Side Chain","Inorganic Chemistry","1997","36","","1772","1781","10.1021/ic961378u","","","0.71073","MoKα","","0.1147","0.0554","","0.1207","0.1083","","","","0.713","1.137","1.137","","","","","has coordinates,has disorder","179336","2020-10-21","18:00:00",""
"4323395","10.573","0.009","11.173","0.008","17.028","0.014","100.65","0.06","93.92","0.06","106.9","0.06","1876","3","220","1","220","","","","","","","","reaction between [Nb(O)Cl3(thf)2] and 2 Li[MeC6H4C(NSiMe3)2] in thf","7","P -1","-P 1","2","","[Nb(O){(4-C6H4Me)C(NSiMe3)2}2Cl]","","- C28 H50 Cl N4 Nb O Si4 -","- C28 H50 Cl N4 Nb O Si4 -","- C56 H100 Cl2 N8 Nb2 O2 Si8 -","2","1","","Peter J. Stewart; Alexander J. Blake; Philip Mountford","Mononuclear Niobium Imido and Oxo Complexes Supported by N,N'-Bis(trimethylsilyl)benzamidinate Ligands. X-ray Structures of [Nb(NBut){PhC(NSiMe3)2}Cl2(py)] and [Nb(O){(4-C6H4Me)C(NSiMe3)2}2Cl]","Inorganic Chemistry","1997","36","","1982","1986","10.1021/ic961391e","","","0.71073","MoKα","","","0.0574","","","0.0643","","","","","1.3277","1.3277","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4323396","10.972","0.003","17.1","0.004","17.777","0.003","91.368","0.015","95.509","0.022","93.025","0.019","3313.9","1.3","150","1","150","1","","","","","","","Li[4-Me-C6H4C(NSiMe3)2] + [Nb(Nbu-t)Cl3(py)2] recrystallise from hexane","6","P -1","-P 1","2","","[Nb(NBu-t){PhC(NSiMe3)2}Cl2(py)] . 0.25(C6H14)","","- C23.5 H40.5 Cl2 N4 Nb Si2 -","- C23.5 H40.5 Cl2 N4 Nb Si2 -","- C94 H162 Cl8 N16 Nb4 Si8 -","4","2","","Peter J. Stewart; Alexander J. Blake; Philip Mountford","Mononuclear Niobium Imido and Oxo Complexes Supported by N,N'-Bis(trimethylsilyl)benzamidinate Ligands. X-ray Structures of [Nb(NBut){PhC(NSiMe3)2}Cl2(py)] and [Nb(O){(4-C6H4Me)C(NSiMe3)2}2Cl]","Inorganic Chemistry","1997","36","","1982","1986","10.1021/ic961391e","","","0.71073","MoKα","","","0.0352","","","0.0407","","","","","0.9635","0.9635","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4323397","16.395","0.002","16.395","0.002","16.03","0.002","90","","90","","120","","3731.5","0.8","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C39 H78 Ag5 Cl6 F30 N24 P5 -","- C39 H78 Ag5 Cl6 F30 N24 P5 -","- C78 H156 Ag10 Cl12 F60 N48 P10 -","2","0.166667","","Lucia Carlucci; Gianfranco Ciani; Davide M. Proserpio; Angelo Sironi","A Novel 3D Three-Connected cubic Network Containing [Ag6(hmt)6]6+ hexagonal Units (hmt = Hexamethylenetetramine)","Inorganic Chemistry","1997","36","","1736","1737","10.1021/ic970043p","","","0.71069","MoKα","","","0.0549","","","0.1035","","","","","1.137","1.137","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323398","21.85","0.005","21.85","0.005","21.85","0.005","90","","90","","90","","10432","4","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C24 H56 Ag4 F24 N12 O4 P4 -","- C27 H38.01 Ag4 F23.96 N12 O P4 -","- C216 H304.08 Ag32 F191.68 N96 O8 P32 -","8","0.333333","","Lucia Carlucci; Gianfranco Ciani; Davide M. Proserpio; Angelo Sironi","A Novel 3D Three-Connected cubic Network Containing [Ag6(hmt)6]6+ hexagonal Units (hmt = Hexamethylenetetramine)","Inorganic Chemistry","1997","36","","1736","1737","10.1021/ic970043p","","","0.71073","MoKα","","","0.0718","","","0.1714","","","","","1.106","1.106","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323399","8.347","0.004","10.044","0.005","15.087","0.008","94.015","0.012","91.184","0.008","102.496","0.013","1231","1.1","173","","173","","","","","","","","","6","P -1","-P 1","2","","Bis(tetramethylpiperidino)alanyl-cyclopentadienyl-dicarbonyl-iron","","- C25 H41 Al Fe N2 O2 -","- C25 H41 Al Fe N2 O2 -","- C50 H82 Al2 Fe2 N4 O4 -","2","1","","B. N. Anand; Ingo Krossing; Heinrich Nöth","Synthesis and X-ray Crystal Structure of (tmp)2Al-Fe(cp)(CO)2: An Alanyl-Containing Iron Complex with a Tricoordinated Aluminum Atom","Inorganic Chemistry","1997","36","","1979","1981","10.1021/ic970110f","","","0.71073","MoKα","","0.0516","0.0399","","0.1579","0.1281","","","","1.179","1.104","1.104","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4323400","12.382","0.005","14.108","0.006","17.15","0.004","90","","91.27","0.02","90","","2995.1","1.9","293","2","293","2","","","","","","","own crystals","4","P 1 21/n 1","-P 2yn","14","","pentakis(3,5-dimethylpyrazolato)tantalum(V)","","- C25 H35 N10 Ta -","- C25 H35 N10 Ta -","- C100 H140 N40 Ta4 -","4","1","","Ilia A. Guzei; Glenn P. A. Yap; Charles H. Winter","Tantalum Complexes Bearing η1-, η2-, and ""Slipped"" η2-Pyrazolato Ligands","Inorganic Chemistry","1997","36","","1738","1739","10.1021/ic970185j","","","0.71073","MoKα","","0.0479","0.0357","","0.1007","0.0952","","","","1.081","1.153","1.153","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323401","10.895","0.002","33.513","0.007","19.279","0.004","90","","104.54","0.03","90","","6814","3","295","2","295","2","","","","","","","own crystals","4","P 1 21/c 1","-P 2ybc","14","","bis(3,5-di-tert-butylpyrazolato)tris(dimethylamido)tantalum(V)","","- C28 H56 N7 Ta -","- C28 H56 N7 Ta -","- C224 H448 N56 Ta8 -","8","2","","Ilia A. Guzei; Glenn P. A. Yap; Charles H. Winter","Tantalum Complexes Bearing η1-, η2-, and ""Slipped"" η2-Pyrazolato Ligands","Inorganic Chemistry","1997","36","","1738","1739","10.1021/ic970185j","","","0.71073","MoKα","","0.0834","0.0508","","0.0959","0.0845","","","","1.005","1.057","1.057","","","","","has coordinates,has disorder","179337","2020-10-21","18:00:00",""
"4323402","11.501","0.002","13.752","0.003","22.868","0.005","103.5","0.03","95.89","0.03","96.71","0.03","3461.1","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H96 Ag4 N8 O Sb4 -","- C52 H96 Ag4 N8 O Sb4 -","- C104 H192 Ag8 N16 O2 Sb8 -","2","1","","Michael A. Beswick; Natalie L. Cromhout; Christopher N. Harmer; Michael A. Paver; Paul R. Raithby; Moira-Ann Rennie; Alexander Steiner; Dominic S. Wright","Assembly of Mixed-Metal Cages Using Polyimido Antimony(III) Anions. Syntheses and Structures of [Sb3(NCy)4(HNCy)2]K.2(toluene), [Sb2(NCy)4]2M4 (M = Cu, Ag), and [Sb(NCy)3]2Pb3 (Cy = Cyclohexyl, C6H11)","Inorganic Chemistry","1997","36","","1740","1744","10.1021/ic961108b","","","0.71073","MoKα","","0.0791","0.0513","","0.2832","0.174","","","","1.109","0.795","0.795","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323403","26.991","0.003","14.112","0.002","23.928","0.003","90","","127.45","0.01","90","","7235.5","1.9","300","1","300","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C81 H63 Fe2 Ga N2 O8 P4 -","- C81 H63 Fe2 Ga N2 O8 P4 -","- C324 H252 Fe8 Ga4 N8 O32 P16 -","4","0.5","","Roland A. Fischer; Markus M. Schulte; Eberhardt Herdtweck; Mike R. Mattner","Reactions of Transition Metal Carbonyl Dianions with (Organo)gallium Chlorides: Anionic Gallium Complexes of Chromium, Iron, and Manganese. Structure of [PPN]2{[(CO)4Fe-Ga(CH3)-Fe(CO)4]}","Inorganic Chemistry","1997","36","","2010","2017","10.1021/ic9606183","","","0.71073","MoKα","","0.0683","0.0377","","0.0972","0.0872","","","","0.959","1.046","1.046","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323404","8.267","0.001","9.467","0.001","14.087","0.001","94.04","0.01","91.49","0.01","104.03","0.01","1065.9","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Cd N2 O2 S2 -","- C18 H24 Cd N2 O2 S2 -","- C36 H48 Cd2 N4 O4 S4 -","2","1","","May D. Nyman; Mark J. Hampden-Smith; Eileen N. Duesler","Synthesis, Characterization, and Reactivity of Group 12 Metal Thiocarboxylates, M(SOCR)2Lut2 [M = Cd, Zn; R = CH3, C(CH3)3; Lut = 3,5-Dimethylpyridine (Lutidine)]","Inorganic Chemistry","1997","36","","2218","2224","10.1021/ic960784a","","","0.71073","MoKα","","0.0342","0.0311","","0.0977","0.0958","","","","0.814","0.844","0.844","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323405","18.666","0.001","9.38","0.001","16.542","0.001","90","","94.42","0.01","90","","2887.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Cd N2 O2 S2 -","- C24 H36 Cd N2 O2 S2 -","- C96 H144 Cd4 N8 O8 S8 -","4","0.5","","May D. Nyman; Mark J. Hampden-Smith; Eileen N. Duesler","Synthesis, Characterization, and Reactivity of Group 12 Metal Thiocarboxylates, M(SOCR)2Lut2 [M = Cd, Zn; R = CH3, C(CH3)3; Lut = 3,5-Dimethylpyridine (Lutidine)]","Inorganic Chemistry","1997","36","","2218","2224","10.1021/ic960784a","","","0.71073","MoKα","","0.0475","0.0402","","0.1138","0.1095","","","","0.848","0.905","0.905","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323406","8.146","0.001","9.472","0.001","14.008","0.001","94.21","0.01","90.99","0.01","104.35","0.01","1043.59","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 N2 O2 S2 Zn -","- C18 H24 N2 O2 S2 Zn -","- C36 H48 N4 O4 S4 Zn2 -","2","1","","May D. Nyman; Mark J. Hampden-Smith; Eileen N. Duesler","Synthesis, Characterization, and Reactivity of Group 12 Metal Thiocarboxylates, M(SOCR)2Lut2 [M = Cd, Zn; R = CH3, C(CH3)3; Lut = 3,5-Dimethylpyridine (Lutidine)]","Inorganic Chemistry","1997","36","","2218","2224","10.1021/ic960784a","","","0.71073","MoKα","","0.044","0.0311","","0.1055","0.0941","","","","0.681","0.747","0.747","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323407","9.855","0.001","10.719","0.001","14.125","0.001","91.94","0.01","104.14","0.01","105.5","0.01","1386.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 N2 O2 S2 Zn -","- C24 H36 N2 O2 S2 Zn -","- C48 H72 N4 O4 S4 Zn2 -","2","1","","May D. Nyman; Mark J. Hampden-Smith; Eileen N. Duesler","Synthesis, Characterization, and Reactivity of Group 12 Metal Thiocarboxylates, M(SOCR)2Lut2 [M = Cd, Zn; R = CH3, C(CH3)3; Lut = 3,5-Dimethylpyridine (Lutidine)]","Inorganic Chemistry","1997","36","","2218","2224","10.1021/ic960784a","","","0.71073","MoKα","","0.0984","0.0424","","0.1335","0.1061","","","","0.589","0.746","0.746","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323408","14.173","0.002","14.383","0.001","30.622","0.003","90","0","90","0","90","0","6242.3","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H45 Cl3 N8 Ni O13 -","- C18 H45 Cl3 N8 Ni O16 -","- C144 H360 Cl24 N64 Ni8 O128 -","8","1","","Giancarlo De Santis; Luigi Fabbrizzi; Angelo Perotti; Nicola Sardone; Angelo Taglietti","A Loose Cage for Transition Metals","Inorganic Chemistry","1997","36","","1998","2003","10.1021/ic960933p","","","1.54184","CuKα","","","0.049","","","0.054","","","","","2.51","2.51","","","","","has coordinates","189264","2020-10-21","18:00:00",""
"4323409","14.791","0.003","20.35","0.007","27.058","0.004","90","","90","","90","","8144","3","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C35 H38 F12 Fe N6 O3 P2 V -","- C35 H38 F12 Fe N6 O3 P2 V -","- C280 H304 F96 Fe8 N48 O24 P16 V8 -","8","1","","David G. McCollum; Glenn P. A. Yap; Louise Liable-Sands; Arnold L. Rheingold; B. Bosnich","Bimetallic Reactivity. Oxo Transfer Reactions with a Heterobimetallic Complex of Iron(II) and Vanadium(III)","Inorganic Chemistry","1997","36","","2230","2235","10.1021/ic9609923","","","0.71073","MoKα","","0.1531","0.0556","","0.1245","0.1106","","","","1.003","1.46","1.46","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323410","28.881","0.004","10.265","0.001","17.184","0.003","90","","122.73","0.01","90","","4285.6","1.1","298","2","298","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C36.2 H41 Cl2 F6 Fe N6 O2.3 P V -","- C36.2 H38 Cl2 F6 Fe N6 O2.3 P V -","- C144.8 H152 Cl8 F24 Fe4 N24 O9.2 P4 V4 -","4","1","","David G. McCollum; Glenn P. A. Yap; Louise Liable-Sands; Arnold L. Rheingold; B. Bosnich","Bimetallic Reactivity. Oxo Transfer Reactions with a Heterobimetallic Complex of Iron(II) and Vanadium(III)","Inorganic Chemistry","1997","36","","2230","2235","10.1021/ic9609923","","","0.71073","MoKα","","0.0792","0.0633","","0.1482","0.1356","","","","1.504","1.691","1.691","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323411","16.943","0.004","13.365","0.003","26.488","0.006","90","","102.97","0.02","90","","5845","2","298","1","298","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-[bis(*-O){trans-tetrachloro-tetrahydrofuran-niobium(V)}]-tetrakis(tetra- hydrofuran)-magnesium dichloromethane(1/1)","","- C40 H80 Cl8 Mg Nb2 O12 -","- C40 H80 Cl8 Mg Nb2 O12 -","- C160 H320 Cl32 Mg4 Nb8 O48 -","4","0.5","","Piotr Sobota; Józef Utko; Sławomir Szafert","Synthesis and Molecular Structures of the Magnesium and Aluminum Adducts of a Niobium-Oxo Complex. X-ray Crystal Structures of [{NbOCl4(THF)}2Mg(THF)4] and [{NbOCl4(THF)}2AlCl(THF)3]","Inorganic Chemistry","1997","36","","2227","2229","10.1021/ic9610804","","","0.71069","MoKα","","0.0435","0.0435","","0.1141","0.1141","","","","1.066","1.066","1.066","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323412","10.855","0.003","15.672","0.005","26.552","0.008","90","","101.73","0.03","90","","4423","2","298","1","298","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-[bis(*-O){trans-tetrachloro-tetrahydrofuran-niobium(V)}]-tetrakis- (tetrahydrofuran)-magnesium tetrahydrofuran(1/4)","","- C25 H50 Cl10 Mg Nb2 O8 -","- C25 H50 Cl10 Mg Nb2 O8 -","- C100 H200 Cl40 Mg4 Nb8 O32 -","4","1","","Piotr Sobota; Józef Utko; Sławomir Szafert","Synthesis and Molecular Structures of the Magnesium and Aluminum Adducts of a Niobium-Oxo Complex. X-ray Crystal Structures of [{NbOCl4(THF)}2Mg(THF)4] and [{NbOCl4(THF)}2AlCl(THF)3]","Inorganic Chemistry","1997","36","","2227","2229","10.1021/ic9610804","","","0.71069","MoKα","","0.0354","0.0354","","0.084","0.084","","","","1.043","1.043","1.043","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323413","12.051","0.003","13.794","0.004","14.948","0.004","67.17","0.03","78.7","0.02","65.03","0.03","2074.6","1.2","300","1","300","1","","","","","","","","6","P -1","-P 1","2","","trans-[bis(*-O){trans-tetrachloro-tetrahydrofuran-niobium(V)}]- tris(tetrahydrofuran)chloroaluminium]","","- C20 H40 Al Cl9 Nb2 O7 -","- C20 H40 Al Cl9 Nb2 O7 -","- C40 H80 Al2 Cl18 Nb4 O14 -","2","1","","Piotr Sobota; Józef Utko; Sławomir Szafert","Synthesis and Molecular Structures of the Magnesium and Aluminum Adducts of a Niobium-Oxo Complex. X-ray Crystal Structures of [{NbOCl4(THF)}2Mg(THF)4] and [{NbOCl4(THF)}2AlCl(THF)3]","Inorganic Chemistry","1997","36","","2227","2229","10.1021/ic9610804","","","0.71069","MoKα","","0.0377","0.0377","","0.1009","0.1009","","","","1.081","1.081","1.081","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323414","9.499","0.001","18.971","0.001","23.478","0.002","90","","95.93","0.01","90","","4208.2","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H63 N O4.5 P -","- C43 H63 N O4.5 P -","- C172 H252 N4 O18 P4 -","4","1","","Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; K. C. Kumara Swamy","Cyclic Aminophosphites and -phosphoranes Possessing Six- and Higher-Membered Rings: A Comparative Study of Structure and Reactivity","Inorganic Chemistry","1997","36","","2044","2051","10.1021/ic9611958","","","0.71073","MoKa","","0.094","0.0634","","0.1864","0.1596","","","","1.028","1.068","1.068","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4323415","18.287","0.002","15.157","0.001","18.541","0.003","90","","90","","90","","5139.1","1.1","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H22 N O2 P -","- C11 H22 N O2 P -","- C176 H352 N16 O32 P16 -","16","4","","Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; K. C. Kumara Swamy","Cyclic Aminophosphites and -phosphoranes Possessing Six- and Higher-Membered Rings: A Comparative Study of Structure and Reactivity","Inorganic Chemistry","1997","36","","2044","2051","10.1021/ic9611958","","","0.71073","MoKa","","0.0994","0.0584","","0.121","0.1033","","","","1.021","1.071","1.071","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323416","9.845","0.001","17.923","0.004","12.344","0.002","90","","107.47","0.01","90","","2077.7","0.6","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Cl4 N O4 P -","- C17 H22 Cl4 N O4 P -","- C68 H88 Cl16 N4 O16 P4 -","4","1","","Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; K. C. Kumara Swamy","Cyclic Aminophosphites and -phosphoranes Possessing Six- and Higher-Membered Rings: A Comparative Study of Structure and Reactivity","Inorganic Chemistry","1997","36","","2044","2051","10.1021/ic9611958","","","0.71073","MoKα","","0.0559","0.0382","","0.1107","0.0807","","","","1.052","1.054","1.054","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4323417","9.676","0.003","13.06","0.003","13.969","0.004","96.97","0.02","103.96","0.02","96.53","0.02","1681.6","0.8","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H54 N O2 P -","- C35 H54 N O2 P -","- C70 H108 N2 O4 P2 -","2","1","","Musa A. Said; Melanie Pülm; Regine Herbst-Irmer; K. C. Kumara Swamy","Cyclic Aminophosphites and -phosphoranes Possessing Six- and Higher-Membered Rings: A Comparative Study of Structure and Reactivity","Inorganic Chemistry","1997","36","","2044","2051","10.1021/ic9611958","","","0.71073","MoKα","","0.0837","0.0585","","0.1639","0.1394","","","","1.027","1.063","1.063","","","","","has coordinates,has disorder","179337","2020-10-21","18:00:00",""
"4323418","11.151","0.002","13.436","0.003","16.872","0.003","90","","102.42","0.02","90","","2468.7","0.9","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Mo2 O4 Se2 -","- C22 H24 Mo2 O4 Se2 -","- C88 H96 Mo8 O16 Se8 -","4","1","","Peter G. Jones; Jörg Laube; Carsten Thöne","Organometallic Selenolates. 5.1 Synthesis and Complexing Properties of 2-Propene- and 2-Methyl-2-propeneselenolato Molybdenum and Tungsten Compounds. Crystal Structures of cp(CO)3WSeCH2C(CH3)CH2, [cp(CO)2MoSeCH2C(CH3)CH2]2, [cp(CO)3Mo(μ-SeCH2C(CH3)CH2)W(CO)5], [cp(CO)3Mo(μ-SeCH2C(CH3)CH2)Mo(CO)5], and [cp(CO)3Mo(μ-SeCH2CHCH2)Mo(CO)5]","Inorganic Chemistry","1997","36","","2097","2102","10.1021/ic961199c","","","0.71073","MoKα","","0.0463","0.0349","","0.0873","0.0798","","","","1.029","1.041","1.041","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323419","7.592","0.003","7.7","0.003","12.296","0.005","98.31","0.04","104.24","0.02","108.49","0.03","641.1","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 O3 Se W -","- C12 H12 O3 Se W -","- C24 H24 O6 Se2 W2 -","2","1","","Peter G. Jones; Jörg Laube; Carsten Thöne","Organometallic Selenolates. 5.1 Synthesis and Complexing Properties of 2-Propene- and 2-Methyl-2-propeneselenolato Molybdenum and Tungsten Compounds. Crystal Structures of cp(CO)3WSeCH2C(CH3)CH2, [cp(CO)2MoSeCH2C(CH3)CH2]2, [cp(CO)3Mo(μ-SeCH2C(CH3)CH2)W(CO)5], [cp(CO)3Mo(μ-SeCH2C(CH3)CH2)Mo(CO)5], and [cp(CO)3Mo(μ-SeCH2CHCH2)Mo(CO)5]","Inorganic Chemistry","1997","36","","2097","2102","10.1021/ic961199c","","","0.71073","MoKα","","0.0597","0.0506","","0.145","0.1375","","","","1.018","1.042","1.042","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323420","14.708","0.002","9.837","0.002","14.958","0.002","90","","103.03","0.01","90","","2108.4","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Mo O8 Se W -","- C17 H12 Mo O8 Se W -","- C68 H48 Mo4 O32 Se4 W4 -","4","1","","Peter G. Jones; Jörg Laube; Carsten Thöne","Organometallic Selenolates. 5.1 Synthesis and Complexing Properties of 2-Propene- and 2-Methyl-2-propeneselenolato Molybdenum and Tungsten Compounds. Crystal Structures of cp(CO)3WSeCH2C(CH3)CH2, [cp(CO)2MoSeCH2C(CH3)CH2]2, [cp(CO)3Mo(μ-SeCH2C(CH3)CH2)W(CO)5], [cp(CO)3Mo(μ-SeCH2C(CH3)CH2)Mo(CO)5], and [cp(CO)3Mo(μ-SeCH2CHCH2)Mo(CO)5]","Inorganic Chemistry","1997","36","","2097","2102","10.1021/ic961199c","","","0.71073","MoKα","","0.0274","0.0206","","0.0429","0.0416","","","","0.958","1.006","1.006","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323421","14.712","0.002","9.867","0.001","14.982","0.002","90","","103.1","0.01","90","","2118.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Mo2 O8 Se -","- C17 H12 Mo2 O8 Se -","- C68 H48 Mo8 O32 Se4 -","4","1","","Peter G. Jones; Jörg Laube; Carsten Thöne","Organometallic Selenolates. 5.1 Synthesis and Complexing Properties of 2-Propene- and 2-Methyl-2-propeneselenolato Molybdenum and Tungsten Compounds. Crystal Structures of cp(CO)3WSeCH2C(CH3)CH2, [cp(CO)2MoSeCH2C(CH3)CH2]2, [cp(CO)3Mo(μ-SeCH2C(CH3)CH2)W(CO)5], [cp(CO)3Mo(μ-SeCH2C(CH3)CH2)Mo(CO)5], and [cp(CO)3Mo(μ-SeCH2CHCH2)Mo(CO)5]","Inorganic Chemistry","1997","36","","2097","2102","10.1021/ic961199c","","","0.71073","MoKα","","0.0273","0.0195","","0.0416","0.0404","","","","0.991","1.054","1.054","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323422","18.638","0.004","9.707","0.002","11.169","0.003","90","","90","","90","","2020.7","0.8","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H10 Mo2 O8 Se -","- C16 H10 Mo2 O8 Se -","- C64 H40 Mo8 O32 Se4 -","4","1","","Peter G. Jones; Jörg Laube; Carsten Thöne","Organometallic Selenolates. 5.1 Synthesis and Complexing Properties of 2-Propene- and 2-Methyl-2-propeneselenolato Molybdenum and Tungsten Compounds. Crystal Structures of cp(CO)3WSeCH2C(CH3)CH2, [cp(CO)2MoSeCH2C(CH3)CH2]2, [cp(CO)3Mo(μ-SeCH2C(CH3)CH2)W(CO)5], [cp(CO)3Mo(μ-SeCH2C(CH3)CH2)Mo(CO)5], and [cp(CO)3Mo(μ-SeCH2CHCH2)Mo(CO)5]","Inorganic Chemistry","1997","36","","2097","2102","10.1021/ic961199c","","","0.71073","MoKα","","0.041","0.036","","0.0915","0.0864","","","","1.078","1.052","1.052","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323423","8.756","0.001","12.154","0.001","12.927","0.001","105.26","0.01","102.29","0.01","105.09","0.01","1221.6","0.2","223","","223","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H25 B Fe Mo N6 O2 -","- C25 H25 B Fe Mo N6 O2 -","- C50 H50 B2 Fe2 Mo2 N12 O4 -","2","1","","Fabrizia Fabrizi de Biani; Frieder Jäkle; Michael Spiegler; Matthias Wagner; Piero Zanello","Ferrocene-Based Tris(1-pyrazolyl)borates: A New Approach to Heterooligometallic Complexes and Organometallic Polymers Containing Transition Metal Atoms in the Backbone","Inorganic Chemistry","1997","36","","2103","2111","10.1021/ic9612360","","","0.71073","MoKα","","0.0308","0.0295","","0.0879","0.0869","","","","1.076","1.093","1.093","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323424","7.352","0.002","12.584","0.004","12.826","0.004","107.61","0.02","102.96","0.02","95.25","0.02","1085.9","0.6","188","2","188","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H58 N6 O15 V4 -","- C35 H58 N6 O15 V4 -","- C35 H58 N6 O15 V4 -","1","0.5","","Winfried Plass","Competing Magnetic Exchange Interactions in Tetranuclear d^1^ Systems: Synthesis, Structure, and Magnetochemistry of a Neutral Vanadium(IV) Complex with a {(VO)4(μ3-OR)2(μ2-OR)4}2+ Core","Inorganic Chemistry","1997","36","","2200","2205","10.1021/ic9613669","","","0.71073","MoKα","","0.1348","0.0712","","0.1861","0.1517","","","","1.012","1.118","1.118","","","","","has coordinates,has disorder","179337","2020-10-21","18:00:00",""
"4323425","10.709","0.002","15.043","0.001","17.205","0.002","69.34","0.01","87.56","0.01","71.02","0.01","2444.2","0.6","293","2","293","2","","","","","","","benzene","6","P -1","-P 1","2","","Tp(Cum,Me)Zn-Dihydroorotate","","- C50 H57 B N8 O4 Zn -","- C50 H57 B N8 O4 Zn -","- C100 H114 B2 N16 O8 Zn2 -","2","1","","Michael Ruf; Karl Weis; Heinrich Vahrenkamp","Pyrazolylborate-Zinc Complexes of RNA Precursors and Analogues Thereof","Inorganic Chemistry","1997","36","","2130","2137","10.1021/ic961379m","","","0.71073","MoKα","","0.1597","0.0616","","0.2207","0.1473","","","","1.084","1.004","1.004","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323426","13.059","0.001","13.658","0.001","13.97","0.001","93.62","0.01","110.38","0.01","114.76","0.01","2056.1","0.4","293","2","293","2","","","","","","","Benzene","6","P -1","-P 1","2","Tp(Cum,Me)Zn-Uracilate","","","- C43 H49 B N8 O2 Zn -","- C43 H49 B N8 O2 Zn -","- C86 H98 B2 N16 O4 Zn2 -","2","1","","Michael Ruf; Karl Weis; Heinrich Vahrenkamp","Pyrazolylborate-Zinc Complexes of RNA Precursors and Analogues Thereof","Inorganic Chemistry","1997","36","","2130","2137","10.1021/ic961379m","","","0.71073","MoKα","","0.0411","0.0291","","0.0817","0.0734","","","","1.074","1.059","1.059","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323427","12.418","0.001","13.985","0.001","14.962","0.002","111.43","0.01","111.19","0.01","97.3","0.01","2152.3","0.5","293","2","293","2","","","","","","","Methanol/Dichloromethane","7","P -1","-P 1","2","Tp(Cum,Me)Zn-2-Metyl-thiouracilate","","","- C44 H51 B N8 O S Zn -","- C44 H51 B N8 O S Zn -","- C88 H102 B2 N16 O2 S2 Zn2 -","2","1","","Michael Ruf; Karl Weis; Heinrich Vahrenkamp","Pyrazolylborate-Zinc Complexes of RNA Precursors and Analogues Thereof","Inorganic Chemistry","1997","36","","2130","2137","10.1021/ic961379m","","","0.71073","MoKα","","0.1633","0.0465","","0.1298","0.0914","","","","1.089","1.093","1.093","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323428","11.434","0.002","14.179","0.003","15.399","0.003","84.4","0.03","71.16","0.03","80.96","0.03","2330.5","0.9","293","2","293","2","","","","","","","Methanol\Dichloromethane","6","P -1","-P 1","2","Tp(Cum,Me)Zn-Xanthinate","","","- C46.5 H59 B N10 O4.5 Zn -","- C46.5 H61 B N10 O4.5 Zn -","- C93 H122 B2 N20 O9 Zn2 -","2","1","","Michael Ruf; Karl Weis; Heinrich Vahrenkamp","Pyrazolylborate-Zinc Complexes of RNA Precursors and Analogues Thereof","Inorganic Chemistry","1997","36","","2130","2137","10.1021/ic961379m","","","0.71073","MoKα","","0.3272","0.0836","","0.388","0.1869","","","","1.023","1.185","1.185","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323429","13.372","0.002","9.198","0.003","16.872","0.002","90","","93.93","0.01","90","","2070.3","0.8","296","","296","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C33 H29 Cl3 N8 S4 Zn2 -","- C33 Cl8 N8 S4 Zn2 -","- C66 Cl16 N16 S8 Zn4 -","2","0.5","","Ren-Gen Xiong; Jing-Lin Zuo; Xiao-Zeng You","A Novel Dimeric Zinc Complex: Bis{μ-[(dimercaptomethylene)propanedinitrilato -S,S']}tetrakis(4-methylpyridine)dizinc(II)-Chloroform","Inorganic Chemistry","1997","36","","2472","2474","10.1021/ic951029k","","","0.71069","MoKalpha","","","0.045","","","0.06","","","","","1.56","1.56","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323430","9.567","0.002","11.44","0.002","10.073","0.002","93.59","0.02","64.01","0.02","107.24","0.02","943.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Ag N2 P -","- C21 H18 Ag N2 P -","- C42 H36 Ag2 N4 P2 -","2","1","","G. Attilio Ardizzoia; Girolamo La Monica; Angelo Maspero; Massimo Moret; Norberto Masciocchi","Silver(I) Pyrazolates. Synthesis and X-ray and 31P-NMR Characterization of Triphenylphosphine Complexes and Their Reactivity toward Heterocumulenes","Inorganic Chemistry","1997","36","","2321","2328","10.1021/ic960908j","","","0.71073","MoKα","","0.0591","0.0283","","0.073","0.0652","","","","1.034","1.064","1.064","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323431","9.752","0.002","14.163","0.002","20.45","0.002","101.84","0.01","99.83","0.02","100.68","0.02","2651.8","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H51 Ag2 N4 P3 -","- C60 H51 Ag2 N4 P3 -","- C120 H102 Ag4 N8 P6 -","2","1","","G. Attilio Ardizzoia; Girolamo La Monica; Angelo Maspero; Massimo Moret; Norberto Masciocchi","Silver(I) Pyrazolates. Synthesis and X-ray and 31P-NMR Characterization of Triphenylphosphine Complexes and Their Reactivity toward Heterocumulenes","Inorganic Chemistry","1997","36","","2321","2328","10.1021/ic960908j","","","0.71073","MoKα","","0.0468","0.0253","","0.0674","0.0645","","","","0.957","1.058","1.058","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323432","10.329","0.004","13.082","0.002","14.284","0.003","86.71","0.02","75.14","0.02","74.79","0.02","1800.1","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H33 Ag N2 P2 S2 -","- C40 H33 Ag N2 P2 S2 -","- C80 H66 Ag2 N4 P4 S4 -","2","1","","G. Attilio Ardizzoia; Girolamo La Monica; Angelo Maspero; Massimo Moret; Norberto Masciocchi","Silver(I) Pyrazolates. Synthesis and X-ray and 31P-NMR Characterization of Triphenylphosphine Complexes and Their Reactivity toward Heterocumulenes","Inorganic Chemistry","1997","36","","2321","2328","10.1021/ic960908j","","","0.71073","MoKα","","0.046","0.0279","","0.0767","0.0702","","","","1.035","1.051","1.051","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323433","10.29","0.006","18.681","0.012","13.047","0.008","90","","99.59","0.05","90","","2473","3","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17.5 H34 B Co N5 O7.5 -","- C18 H23 B Co N5 O8 -","- C72 H92 B4 Co4 N20 O32 -","4","1","","Renata Dreos; Giorgio Nardin; Lucio Randaccio; Giovanni Tauzher; Sara Vuano","A New Dinuclear Complex Derived from Cobaloxime Units Held Together by 3-Pyridylboronic Acid Residues","Inorganic Chemistry","1997","36","","2463","2464","10.1021/ic960995f","","","0.71073","MoKα","","","0.071","","","0.086","","","","","0.43","0.43","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4323434","11.134","0.0015","18.435","0.002","12.515","0.002","90","","110.999","0.009","90","","2398.2","0.6","293","2","293","2","","","","","","","Reac. of MoOCl(dppee)2/Li2S methanol/air","5","P 1 21/c 1","-P 2ybc","14","trans-Mo(O)~2~(dppee)~2~, 2 CH~3~OH","trans-bis(cis-1,2-bis(diphenylphosphino)ethylene-P,P')-di-oxo-molybdenum(IV) methanol solvate","","- C54 H52 Mo O4 P4 -","- C54 H50 Mo O4 P4 -","- C108 H100 Mo2 O8 P8 -","2","0.5","","F. Albert Cotton; Günter Schmid","Mononuclear Molybdenum(IV) Complexes with Two Multiply Bonded Chalcogen Ligands in Trans Configuration and Chelating Biphosphine Ligands","Inorganic Chemistry","1997","36","","2267","2278","10.1021/ic961071v","","","0.7093","MoKα","","0.0489","0.0323","","0.0872","0.0796","","","","1.046","1.073","1.073","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323435","10.102","0.004","10.722","0.004","12.195","0.003","100.95","0.03","95.04","0.04","117.81","0.02","1123.1","0.8","293","2","293","2","","","","","","","Reaction: Mo(N2)2(dppee)2, 2 Bz2S3 in toluene","5","P -1","-P 1","2","trans-Mo(S)~2~(dppee)~2~","trans-bis(cis-1,2-bis(diphenylphosphino)ethylene-P,P')-bis-sulfido- molybdenum(IV)","","- C52 H44 Mo P4 S2 -","- C52 H44 Mo P4 S2 -","- C52 H44 Mo P4 S2 -","1","0.5","","F. Albert Cotton; Günter Schmid","Mononuclear Molybdenum(IV) Complexes with Two Multiply Bonded Chalcogen Ligands in Trans Configuration and Chelating Biphosphine Ligands","Inorganic Chemistry","1997","36","","2267","2278","10.1021/ic961071v","","","0.71073","Mo-Kα","","0.0463","0.0366","","0.1029","0.0969","","","","1.077","1.09","1.09","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323436","11.186","0.005","18.005","0.008","12.761","0.009","90","","110.35","0.04","90","","2410","2","213","2","213","2","","","","","","","reac. of Mo(N2)2(dppee)2 and Se in toluene","6","P 1 21/c 1","-P 2ybc","14","trans-Mo(Se)2~2~(dppee)~2~, CH2Cl2","trans-bis(cis-1,2-bis-(diphenylphosphino)ethylene-P,P')-di-selenido- molybdenum (IV), dichloromethane solvate","","- C53 H46 Cl2 Mo P4 Se2 -","- C53 H44 Cl2 Mo P4 Se2 -","- C106 H88 Cl4 Mo2 P8 Se4 -","2","0.5","","F. Albert Cotton; Günter Schmid","Mononuclear Molybdenum(IV) Complexes with Two Multiply Bonded Chalcogen Ligands in Trans Configuration and Chelating Biphosphine Ligands","Inorganic Chemistry","1997","36","","2267","2278","10.1021/ic961071v","","","0.71073","MoKα","","0.1001","0.0653","","0.1684","0.1398","","","","1.079","1.085","1.085","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323437","12.681","0.004","19.28","0.005","10.454","0.003","104.6","0.02","111.61","0.02","75.12","0.02","2261","1.2","293","2","293","2","","","","","","","reac. of Mo(N2)2(dppee)2 with Te/PEt3","5","P -1","-P 1","2","trans-Mo(Te)~2~(dppee)~2~","trans-bis(cis-1,2-bis(diphenylphosphino)ethylene-P,P')-di-tellurido- molybdenum(IV)","","- C52 H44 Mo P4 Te2 -","- C52 H44 Mo P4 Te2 -","- C104 H88 Mo2 P8 Te4 -","2","1","","F. Albert Cotton; Günter Schmid","Mononuclear Molybdenum(IV) Complexes with Two Multiply Bonded Chalcogen Ligands in Trans Configuration and Chelating Biphosphine Ligands","Inorganic Chemistry","1997","36","","2267","2278","10.1021/ic961071v","","","1.54184","CuKα","","0.1188","0.05","","0.1425","0.117","","","","1.047","1.087","1.087","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323438","49.515","0.007","10.9286","0.0012","18.203","0.003","90","","98.306","0.012","90","","9747","2","293","2","293","2","","","","","","","Reaction: Mo(N2)2(dppe)2, 2 Bz2S3 in toluene","5","C 1 2/c 1","-C 2yc","15","trans-Mo(S)2(dppe)2","trans-bis(1,2-bis(diphenylphosphino)ethane-P,P')-bis-sulfido-molybdenum (IV), toluene solvate","","- C55.5 H52 Mo P4 S2 -","- C55 H48 Mo P4 S2 -","- C440 H384 Mo8 P32 S16 -","8","1","","F. Albert Cotton; Günter Schmid","Mononuclear Molybdenum(IV) Complexes with Two Multiply Bonded Chalcogen Ligands in Trans Configuration and Chelating Biphosphine Ligands","Inorganic Chemistry","1997","36","","2267","2278","10.1021/ic961071v","","","0.7093","MoKalpha","","0.0885","0.0395","","0.1113","0.0951","","","","1.038","1.105","1.105","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323439","49.566","0.009","10.9765","0.0015","18.282","0.003","90","","98.541","0.013","90","","9836","3","293","2","293","2","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","","","","- C55.5 H52 Mo P4 Se2 -","- C55.5 H48 Mo P4 Se2 -","- C444 H384 Mo8 P32 Se16 -","8","1","","F. Albert Cotton; Günter Schmid","Mononuclear Molybdenum(IV) Complexes with Two Multiply Bonded Chalcogen Ligands in Trans Configuration and Chelating Biphosphine Ligands","Inorganic Chemistry","1997","36","","2267","2278","10.1021/ic961071v","","","0.7093","MoKalpha","","0.0968","0.0606","","0.1968","0.1744","","","","1.064","1.118","1.118","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323440","10.04","0.001","10.563","0.001","12.162","0.002","75.3","0.01","85.93","0.01","63.21","0.01","1112.3","0.3","293","2","293","2","","","","","","","data were measured by Sanjay K. Mandel","6","P -1","-P 1","2","trans-Mo(O)(S)(dppee)~2~","trans-bis(cis-1,2-bis(diphenylphosphino)ethylene-P,P')-oxo-sulfido- molybdenum (IV)","","- C52 H44 Mo O P4 S -","- C52 H44 Mo O P4 S -","- C52 H44 Mo O P4 S -","1","0.5","","F. Albert Cotton; Günter Schmid","Mononuclear Molybdenum(IV) Complexes with Two Multiply Bonded Chalcogen Ligands in Trans Configuration and Chelating Biphosphine Ligands","Inorganic Chemistry","1997","36","","2267","2278","10.1021/ic961071v","","","1.54184","CuKα","","0.0301","0.0299","","0.0981","0.098","","","","1.102","1.105","1.105","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323441","21.534","0.006","12.4271","0.0013","19.55","0.005","90","","118.48","0.014","90","","4598.6","1.9","293","2","293","2","","","","","","","Reaction: SO2 + Mo(N2)2(dppee)2","6","C 1 2/c 1","-C 2yc","15","trans-Mo(η-SO~2~)~2~(dppee)~2~","trans-bis(cis-1,2-bis(diphenylphosphino)ethylene-P,P') -bis-(η~2~(S,O)-sulfur dioxide)molybdenum (0)","","- C52 H44 Mo O4 P4 S2 -","- C52 H44 Mo O4 P4 S2 -","- C208 H176 Mo4 O16 P16 S8 -","4","0.5","","F. Albert Cotton; Günter Schmid","Mononuclear Molybdenum(IV) Complexes with Two Multiply Bonded Chalcogen Ligands in Trans Configuration and Chelating Biphosphine Ligands","Inorganic Chemistry","1997","36","","2267","2278","10.1021/ic961071v","","","0.7093","MoKalpha","","0.0441","0.0299","","0.0806","0.0751","","","","1.031","1.052","1.052","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323442","6.4856","0.0009","18.072","0.0011","9.7854","0.0014","90","","98.28","0.013","90","","1135","0.2","122","0.5","122","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C H18 Co N5 O6 S2 -","- C H18 Co N5 O6 S2 -","- C4 H72 Co4 N20 O24 S8 -","4","1","","Pauli Kofod; Pernille Harris; Sine Larsen","NMR Spectroscopic Characterization of Methylcobalt(III) Compounds with Classical Ligands. Crystal Structures of [Co(NH3)5(CH3)]S2O6, trans-[Co(en)2(NH3)(CH3)]S2O6 (en = 1,2-Ethanediamine), and [Co(NH3)6]-mer,trans-[Co(NO2)3(NH3)2(CH3)]2-trans-[Co(NO2)4(NH3)2]","Inorganic Chemistry","1997","36","","2258","2266","10.1021/ic961264i","","","0.71073","MoKα","","0.0623","0.0391","","0.089","0.0728","","","","1.116","1.118","1.118","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323443","12.211","0.003","10.107","0.003","11.514","0.003","90","0.003","90","0.003","90","0.003","1421","0.7","122","0.5","122","0.5","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C5 H22 Co N5 O6 S2 -","- C5 H22 Co N5 O6 S2 -","- C20 H88 Co4 N20 O24 S8 -","4","1","","Pauli Kofod; Pernille Harris; Sine Larsen","NMR Spectroscopic Characterization of Methylcobalt(III) Compounds with Classical Ligands. Crystal Structures of [Co(NH3)5(CH3)]S2O6, trans-[Co(en)2(NH3)(CH3)]S2O6 (en = 1,2-Ethanediamine), and [Co(NH3)6]-mer,trans-[Co(NO2)3(NH3)2(CH3)]2-trans-[Co(NO2)4(NH3)2]","Inorganic Chemistry","1997","36","","2258","2266","10.1021/ic961264i","","","0.71073","MoKα","","0.0179","0.0173","","0.0501","0.05","","","","1.565","1.58","1.58","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323444","8.39","0.002","8.97","0.003","20.65","0.009","90","","91.29","0.02","90","","1553.7","0.9","122","0.5","122","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H21 Co2 N11 O10 -","- C H21 Co2 N11 O10 -","- C4 H84 Co8 N44 O40 -","4","1","","Pauli Kofod; Pernille Harris; Sine Larsen","NMR Spectroscopic Characterization of Methylcobalt(III) Compounds with Classical Ligands. Crystal Structures of [Co(NH3)5(CH3)]S2O6, trans-[Co(en)2(NH3)(CH3)]S2O6 (en = 1,2-Ethanediamine), and [Co(NH3)6]-mer,trans-[Co(NO2)3(NH3)2(CH3)]2-trans-[Co(NO2)4(NH3)2]","Inorganic Chemistry","1997","36","","2258","2266","10.1021/ic961264i","","","0.71073","MoKα","","0.047","0.0438","","0.1382","0.1293","","","","1.127","1.137","1.137","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323445","11.269","0.003","15.104","0.002","23.177","0.004","90","","90","","90","","3944.9","1.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[2(S),3(S)-Bis(diphenylphosphino)butane-(eta-5-cyclopentadienyl)-(methyl-ph= enyl-sulfide)-ruthenium]hexafluorophosphate","","- C40 H41 F6 P3 Ru S -","- C40 H41 F6 P3 Ru S -","- C160 H164 F24 P12 Ru4 S4 -","4","1","","Wolfdieter A. Schenk; Jürgen Frisch; Michael Dürr; Nicolai Burzlaff; Dietmar Stalke; Roland Fleischer; Waldemar Adam; Frank Prechtl; Alexander K. Smerz","Oxidation of Thioether Ligands in Pseudotetrahedral Cyclopentadienylruthenium Complexes: Toward a New Stereoselective Synthesis of Chiral Sulfoxides1","Inorganic Chemistry","1997","36","","2372","2378","10.1021/ic961280f","","","0.7093","MoKα","","0.2626","0.0713","","0.1421","0.0974","","","","1.037","1.137","1.137","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323446","14.1664","0.0013","15.792","0.002","17.641","0.002","90","","90","","90","","3946.6","0.8","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[2(S),3(S)-Bis(diphenylphosphino)butane-(eta-5-cyclopentadienyl)-(methyl-ph= enyl-sulfoxide)-ruthenium]hexafluorophosphate","","- C40 H41 F6 O P3 Ru S -","- C40 H41 F6 O P3 Ru S -","- C160 H164 F24 O4 P12 Ru4 S4 -","4","1","","Wolfdieter A. Schenk; Jürgen Frisch; Michael Dürr; Nicolai Burzlaff; Dietmar Stalke; Roland Fleischer; Waldemar Adam; Frank Prechtl; Alexander K. Smerz","Oxidation of Thioether Ligands in Pseudotetrahedral Cyclopentadienylruthenium Complexes: Toward a New Stereoselective Synthesis of Chiral Sulfoxides1","Inorganic Chemistry","1997","36","","2372","2378","10.1021/ic961280f","","","0.7093","MoKα","","0.0792","0.05","","0.1449","0.1281","","","","1.058","1.056","1.056","","","","","has coordinates,has disorder","179337","2020-10-21","18:00:00",""
"4323447","12.069","0.002","17.379","0.002","19.76","0.005","90","","90","","90","","4144.6","1.3","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","[2(S),3(S)-Bis(diphenylphosphino)butane-(eta-5-cyclopentadienyl)- (methyl-isopropyl-sulfoxide)-ruthenium]hexafluorophosphate","","- C37.93 H44.86 Cl2.86 F6 O P3 Ru S -","- C37.93 H44.86 Cl1.86 F6 O P3 Ru S -","- C151.72 H179.44 Cl7.44 F24 O4 P12 Ru4 S4 -","4","1","","Wolfdieter A. Schenk; Jürgen Frisch; Michael Dürr; Nicolai Burzlaff; Dietmar Stalke; Roland Fleischer; Waldemar Adam; Frank Prechtl; Alexander K. Smerz","Oxidation of Thioether Ligands in Pseudotetrahedral Cyclopentadienylruthenium Complexes: Toward a New Stereoselective Synthesis of Chiral Sulfoxides1","Inorganic Chemistry","1997","36","","2372","2378","10.1021/ic961280f","","","0.7093","MoKα","","0.0894","0.0476","","0.1802","0.1365","","","","1.095","0.991","0.991","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323448","10.539","0.005","16.216","0.009","11.011","0.008","90","","106.04","0.02","90","","1808.5","1.9","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H43 F6 P3 Ru S -","- C37 H43 F6 P3 Ru S -","- C74 H86 F12 P6 Ru2 S2 -","2","1","","Wolfdieter A. Schenk; Jürgen Frisch; Michael Dürr; Nicolai Burzlaff; Dietmar Stalke; Roland Fleischer; Waldemar Adam; Frank Prechtl; Alexander K. Smerz","Oxidation of Thioether Ligands in Pseudotetrahedral Cyclopentadienylruthenium Complexes: Toward a New Stereoselective Synthesis of Chiral Sulfoxides1","Inorganic Chemistry","1997","36","","2372","2378","10.1021/ic961280f","","","0.71073","MoKα","","0.0379","0.0376","","0.0992","0.0983","","","","1.101","1.094","1.094","","","","","has coordinates,has disorder","179337","2020-10-21","18:00:00",""
"4323449","11.318","0.001","25.198","0.002","18.314","0.001","90","","93.106","0.006","90","","5215.3","0.7","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Barium-N,N'-Bis(trimethylsilyl)-aminodiphenylphosphonimid","","- C44 H72 Ba N4 O2 P2 Si4 -","- C44 H72 Ba N4 O2 P2 Si4 -","- C176 H288 Ba4 N16 O8 P8 Si16 -","4","1","","Roland Fleischer; Dietmar Stalke","Syntheses and Structures of [(THF)nM{(NSiMe3)2PPh2}2] Complexes (M = Be, Mg, Ca, Sr, Ba;n= 0-2): Deviation of Alkaline Earth Metal Cations from the Plane of an Anionic Ligand","Inorganic Chemistry","1997","36","","2413","2419","10.1021/ic9613117","","","0.71073","MoKa","","0.0365","0.0276","","0.0675","0.063","","","","1.025","1.039","1.039","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323450","18.845","0.008","11.474","0.003","19.836","0.008","90","","100.92","0.03","90","","4211","3","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Berylium-N,N'-Bis(trimethylsilyl)-aminodiphenylphosphinimid","","- C36 H56 Be N4 P2 Si4 -","- C36 H56 Be N4 P2 Si4 -","- C144 H224 Be4 N16 P8 Si16 -","4","1","","Roland Fleischer; Dietmar Stalke","Syntheses and Structures of [(THF)nM{(NSiMe3)2PPh2}2] Complexes (M = Be, Mg, Ca, Sr, Ba;n= 0-2): Deviation of Alkaline Earth Metal Cations from the Plane of an Anionic Ligand","Inorganic Chemistry","1997","36","","2413","2419","10.1021/ic9613117","","","0.71073","MoKa","","0.0287","0.0264","","0.0671","0.0658","","","","1.032","1.041","1.041","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323451","12.759","0.003","18.03","0.004","19.392","0.004","90","","106.21","0.02","90","","4283.7","1.7","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Magnesium-N,N'-Bis-(trimethylsilyl)-aminodiphenylphosphinimid","","- C36 H56 Mg N4 P2 Si4 -","- C36 H56 Mg N4 P2 Si4 -","- C144 H224 Mg4 N16 P8 Si16 -","4","1","","Roland Fleischer; Dietmar Stalke","Syntheses and Structures of [(THF)nM{(NSiMe3)2PPh2}2] Complexes (M = Be, Mg, Ca, Sr, Ba;n= 0-2): Deviation of Alkaline Earth Metal Cations from the Plane of an Anionic Ligand","Inorganic Chemistry","1997","36","","2413","2419","10.1021/ic9613117","","","0.71073","MoKa","","0.048","0.0371","","0.0944","0.0869","","","","1.032","1.051","1.051","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323452","11.33","0.001","11.564","0.001","19.948","0.002","104.162","0.007","97.393","0.006","97.258","0.006","2479","0.4","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","Calcium-N,N'-Bis(trimethylsilyl)-aminodiphenylphosphinimid","","- C40 H64 Ca N4 O P2 Si4 -","- C40 H64 Ca N4 O P2 Si4 -","- C80 H128 Ca2 N8 O2 P4 Si8 -","2","1","","Roland Fleischer; Dietmar Stalke","Syntheses and Structures of [(THF)nM{(NSiMe3)2PPh2}2] Complexes (M = Be, Mg, Ca, Sr, Ba;n= 0-2): Deviation of Alkaline Earth Metal Cations from the Plane of an Anionic Ligand","Inorganic Chemistry","1997","36","","2413","2419","10.1021/ic9613117","","","0.71073","MoKa","","0.0347","0.032","","0.0873","0.0847","","","","1.072","1.084","1.084","","","","","has coordinates,has disorder","179337","2020-10-21","18:00:00",""
"4323453","11.195","0.001","24.929","0.003","18.388","0.002","90","","92.829","0.008","90","","5125.5","0.9","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Strontium-N,N'-Bis(trimethylsilyl)-aminodiphenylphosphinimid","","- C44 H72 N4 O2 P2 Si4 Sr -","- C44 H72 N4 O2 P2 Si4 Sr -","- C176 H288 N16 O8 P8 Si16 Sr4 -","4","1","","Roland Fleischer; Dietmar Stalke","Syntheses and Structures of [(THF)nM{(NSiMe3)2PPh2}2] Complexes (M = Be, Mg, Ca, Sr, Ba;n= 0-2): Deviation of Alkaline Earth Metal Cations from the Plane of an Anionic Ligand","Inorganic Chemistry","1997","36","","2413","2419","10.1021/ic9613117","","","0.71073","MoKa","","0.0583","0.0346","","0.1003","0.0745","","","","1.033","1.063","1.063","","","","","has coordinates,has disorder","179337","2020-10-21","18:00:00",""
"4323454","21.618","0.014","9.878","0.005","19.949","0.013","90","","109.51","0.04","90","","4015","4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H63 Cl2 O9 Ti2 Y -","- C27 Cl2 O9 Ti2 Y -","- C108 Cl8 O36 Ti8 Y4 -","4","1","","Michael Veith; Sanjay Mathur; Volker Huch","Synthesis and Characterization of New Alkoxotitanates of Yttrium, Barium, and Copper: Single Crystal X-ray Diffraction Structures of Cl2Y{Ti2(OPri)9}, {Ti(OPri)5}Ba{Ti2(OPri)9}, and ClCu{Ti2(OPri)9}","Inorganic Chemistry","1997","36","","2391","2399","10.1021/ic9613218","","","0.71073","MoKα","","0.0811","0.0595","","0.1931","0.1762","","","","1.124","1.158","1.158","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323455","10.085","0.002","10.21","0.002","21.551","0.004","84.4","0.03","84.03","0.03","60.86","0.03","1924.9","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H63 Cl Cu O9 Ti2 -","- C27 H63 Cl Cu O9 Ti2 -","- C54 H126 Cl2 Cu2 O18 Ti4 -","2","1","","Michael Veith; Sanjay Mathur; Volker Huch","Synthesis and Characterization of New Alkoxotitanates of Yttrium, Barium, and Copper: Single Crystal X-ray Diffraction Structures of Cl2Y{Ti2(OPri)9}, {Ti(OPri)5}Ba{Ti2(OPri)9}, and ClCu{Ti2(OPri)9}","Inorganic Chemistry","1997","36","","2391","2399","10.1021/ic9613218","","","0.71073","MoKα","","0.0521","0.0476","","0.1328","0.1291","","","","1.048","1.078","1.078","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323456","11.85","0.002","13.888","0.003","18.716","0.004","86.08","0.03","89.15","0.03","83.36","0.03","3052.3","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H70 Ba O10 Ti2 -","- C42 H95 Ba O14 Ti3 -","- C84 H190 Ba2 O28 Ti6 -","2","1","","Michael Veith; Sanjay Mathur; Volker Huch","Synthesis and Characterization of New Alkoxotitanates of Yttrium, Barium, and Copper: Single Crystal X-ray Diffraction Structures of Cl2Y{Ti2(OPri)9}, {Ti(OPri)5}Ba{Ti2(OPri)9}, and ClCu{Ti2(OPri)9}","Inorganic Chemistry","1997","36","","2391","2399","10.1021/ic9613218","","","0.71073","MoKα","","0.0786","0.0731","","0.2228","0.215","","","","1.028","1.054","1.054","","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4323457","12.923","0.004","20.274","0.007","18.255","0.006","90","","104.7","0.01","90","","4626","3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H112 Au2 N6 P2 Si8 Sn2 -","- C84 H112 Au2 N6 P2 Si8 Sn2 -","- C168 H224 Au4 N12 P4 Si16 Sn4 -","2","0.5","","Bernd Findeis; Maria Contel; Lutz H. Gade; Mariano Laguna; M. Concepción Gimeno; Ian J. Scowen; Mary McPartlin","Tris(amido)tingold Complexes in Different Oxidation States. First Structural Characterization of a Sn-Au-Au-Sn Linear Chain","Inorganic Chemistry","1997","36","","2386","2390","10.1021/ic961423y","","","0.71073","MoKα","","0.0956","0.0493","","0.1204","0.1034","","","","0.894","1.045","1.045","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4323458","11.78","0.003","10.662","0.003","11.642","0.003","90","","118.61","0.02","90","","1283.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Fe2 N2 -","- C34 H28 Fe2 N2 -","- C68 H56 Fe4 N4 -","2","0.5","","Sudhir Achar; Chad E. Immoos; Michael G. Hill; Vincent J. Catalano","Synthesis, Characterization, and Electrochemistry of Heterometallic Dendrimers","Inorganic Chemistry","1997","36","","2314","2320","10.1021/ic961435j","","","0.71073","MoKα","","0.1404","0.0625","","0.1442","0.1116","","","","0.999","1.115","1.115","","","","","has coordinates","264764","2021-05-03","08:11:06",""
"4323459","11.497","0.002","22.796","0.006","15.801","0.003","90","","106.08","0.01","90","","3979.2","1.5","293","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H41 Cl4 Fe2 I N2 Pt -","- C39 H41 Cl4 Fe2 I N2 Pt -","- C156 H164 Cl16 Fe8 I4 N8 Pt4 -","4","1","","Sudhir Achar; Chad E. Immoos; Michael G. Hill; Vincent J. Catalano","Synthesis, Characterization, and Electrochemistry of Heterometallic Dendrimers","Inorganic Chemistry","1997","36","","2314","2320","10.1021/ic961435j","","","0.71073","MoKα","","0.1024","0.0648","","0.1786","0.1538","","","","1.024","1.084","1.084","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323460","14.469","0.012","15.145","0.011","21.327","0.018","69.46","0.05","71.15","0.05","81.87","0.06","4140","6","293","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H75 Br2 Cl2 Fe4 N4 Pt2 -","- C81 H75 Br2 Cl2 Fe4 N4 Pt2 -","- C162 H150 Br4 Cl4 Fe8 N8 Pt4 -","2","1","","Sudhir Achar; Chad E. Immoos; Michael G. Hill; Vincent J. Catalano","Synthesis, Characterization, and Electrochemistry of Heterometallic Dendrimers","Inorganic Chemistry","1997","36","","2314","2320","10.1021/ic961435j","","","0.71073","MoKα","","0.2506","0.1244","","0.3641","0.2825","","","","1.122","1.345","1.345","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323461","5.639","0.001","24.97","0.003","10.466","0.001","90","","101.33","","90","","1445","0.3","188","","188","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,10-octachlorophenanthroline","1,10-octachlorophenanthroline","","- C12 Cl8 N2 -","- C12 Cl8 N2 -","- C48 Cl32 N8 -","4","1","","Christoph Titze; Wolfgang Kaim; Stanislav Zalis","Structural Flexibility of the Hydrogen-Free Acceptor Ligand Octachloro-1,10-phenanthroline in Its Complexes with d10 Metal Ions","Inorganic Chemistry","1997","36","","2505","2510","10.1021/ic960837o","","","0.71073","MoKα","","0.0533","0.0451","","0.1507","0.1291","","","","1.141","1.165","1.165","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4323462","13.185","0.002","9.474","0.001","16.106","0.002","90","","92.05","","90","","2010.6","0.4","188","","188","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","Bis(octachlro-1,10-phenanthroline)silver(I) hexafluorophosphate","Bis(octachloro-1,10-phenanthroline)silver(I) hexafluorophosphate","","- C25 H2 Ag Cl18 F6 N4 P -","- C26 H4 Ag Cl20 F6 N4 P -","- C52 H8 Ag2 Cl40 F12 N8 P2 -","2","0.5","","Christoph Titze; Wolfgang Kaim; Stanislav Zalis","Structural Flexibility of the Hydrogen-Free Acceptor Ligand Octachloro-1,10-phenanthroline in Its Complexes with d10 Metal Ions","Inorganic Chemistry","1997","36","","2505","2510","10.1021/ic960837o","","","0.71073","MoKα","","0.0766","0.0529","","0.1405","0.1264","","","","1.044","1.09","1.09","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323463","10.391","0.002","12.911","0.003","13.647","0.003","103.53","0.03","111.85","0.03","103.69","0.03","1542.2","0.9","188","","188","","","","","","","","","5","P -1","-P 1","2","(octachloro-1,10-phenanthroline)mercury(II) dichlorid","(octachloro-1,10-phenanthroline)mercury(II) dichlorid","","- C27 H15 Cl10 Hg N2 -","- C27 H12 Cl10 Hg N2 -","- C54 H24 Cl20 Hg2 N4 -","2","1","","Christoph Titze; Wolfgang Kaim; Stanislav Zalis","Structural Flexibility of the Hydrogen-Free Acceptor Ligand Octachloro-1,10-phenanthroline in Its Complexes with d10 Metal Ions","Inorganic Chemistry","1997","36","","2505","2510","10.1021/ic960837o","","","0.71073","MoKα","","0.0391","0.0343","","0.0915","0.0857","","","","1.078","1.088","1.088","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323464","13.699","0.003","6.1577","0.0007","6.633","0.001","90","","103.09","0.02","90","","544.98","0.16","293","","293","","","","","","","","See Experimental","5","P 1 21/c 1","-P 2ybc","14","","Aquo(2-(hydroxyimino)propionate)sodium","","- C3 H6 N Na O4 -","- C3 H6 N Na O4 -","- C12 H24 N4 Na4 O16 -","4","1","","Allen W. Apblett; Galina D. Georgieva; Joel T. Mague","Synthesis and Spectroscopic and Thermal Decomposition Studies of Alkali Metal Salts of 2-Oximidopropionate","Inorganic Chemistry","1997","36","","2656","2661","10.1021/ic9611204","","","0.71073","Mo-Kα","","0.055","0.036","","","0.05","","","","","1.73","1.73","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323465","30.565","0.004","7.2406","0.0013","13.915","0.002","90","","90.626","0.007","90","","3079.3","0.8","249","2","249","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H19 Cl3 N Nb O2 -","- C8 H19 Cl3 N Nb O2 -","- C64 H152 Cl24 N8 Nb8 O16 -","8","2","","Andrey V. Korolev; Arnold L. Rheingold; Darryl S. Williams","A General Route to Labile Niobium and Tantalum d0 Monoimides. Discussion of Metal-Nitrogen Vibrational Modes","Inorganic Chemistry","1997","36","","2647","2655","10.1021/ic961360j","","","0.71073","MoKα","","0.0462","0.0392","","0.1107","0.1025","","","","0.991","1.052","1.052","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323466","8.5429","0.0008","18.393","0.002","16.957","0.003","90","","90.264","0.005","90","","2664.4","0.6","213","2","213","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","cis,cis-Tetrachloro-bis(n-butylamido)- bis(trimethylphosphine) ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(n-butylamido)- -(cis,cis)-1,2-bis(trimethylphosphine) ditungsten(III)","","- C14 H38 Cl4 N2 P2 W2 -","- C14 H38 Cl4 N2 P2 W2 -","- C56 H152 Cl16 N8 P8 W8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 8. Synthesis and Structural Characterization of Both Cis Isomers of Stoichiometry W2Cl4(NHR)2(PMe3)2, R = Et, Prn, and Bun. Direct Evidence Favoring an Internal Flip Mechanism for Cis-Trans Isomerization","Inorganic Chemistry","1997","36","","2670","2677","10.1021/ic9700361","","","0.71073","MoKα","","0.0601","0.0415","","0.105","0.0975","","","","0.961","1.012","1.012","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323467","7.4366","0.0002","8.8618","0.0006","9.352","0.001","105.262","0.006","109.2","0.01","94.423","0.009","552.37","0.09","213","2","213","2","","","","","","","synthesized","6","P -1","-P 1","2","cis,cis-Tetrachloro-bis(ethylamido)- bis(trimethylphosphine) ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(ethylamido)-(cis,cis)- 1,2-bis(trimethylphosphine)ditungsten(III)","","- C10 H30 Cl4 N2 P2 W2 -","- C10 H30 Cl4 N2 P2 W2 -","- C10 H30 Cl4 N2 P2 W2 -","1","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 8. Synthesis and Structural Characterization of Both Cis Isomers of Stoichiometry W2Cl4(NHR)2(PMe3)2, R = Et, Prn, and Bun. Direct Evidence Favoring an Internal Flip Mechanism for Cis-Trans Isomerization","Inorganic Chemistry","1997","36","","2670","2677","10.1021/ic9700361","","","0.71073","MoKα","","0.0332","0.0306","","0.0838","0.0772","","","","1.096","1.085","1.085","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323468","13.1268","0.0008","10.871","0.001","17.106","0.001","90","","92.872","0.005","90","","2438","0.3","213","2","213","2","","","","","","","synthesized","6","I 1 2/a 1","-I 2ya","15","cis,cis-Tetrachloro-bis(n-propylamido)- bis(trimethylphosphine) ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(n-propylamido)-(cis,cis)- 1,2-bis(trimethylphosphine)ditungsten(III)","","- C12 H34 Cl4 N2 P2 W2 -","- C12 H34 Cl4 N2 P2 W2 -","- C48 H136 Cl16 N8 P8 W8 -","4","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 8. Synthesis and Structural Characterization of Both Cis Isomers of Stoichiometry W2Cl4(NHR)2(PMe3)2, R = Et, Prn, and Bun. Direct Evidence Favoring an Internal Flip Mechanism for Cis-Trans Isomerization","Inorganic Chemistry","1997","36","","2670","2677","10.1021/ic9700361","","","0.71073","MoKα","","0.0445","0.038","","0.0933","0.0894","","","","1.086","1.108","1.108","","","","","has coordinates,has disorder","179337","2020-10-21","18:00:00",""
"4323469","22.058","0.009","8.562","0.001","29.768","0.008","90","","105.642","0.001","90","","5414","3","213","2","213","2","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","cis,cis-Tetrachloro-bis(n-butylamido)- bis(trimethylphosphine) ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(n-butylamido)-(cis,cis)- 1,2-bis(trimethylphosphine)ditungsten(III)","","- C14 H38 Cl4 N2 P2 W2 -","- C14 H38 Cl4 N2 P2 W2 -","- C112 H304 Cl32 N16 P16 W16 -","8","2","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 8. Synthesis and Structural Characterization of Both Cis Isomers of Stoichiometry W2Cl4(NHR)2(PMe3)2, R = Et, Prn, and Bun. Direct Evidence Favoring an Internal Flip Mechanism for Cis-Trans Isomerization","Inorganic Chemistry","1997","36","","2670","2677","10.1021/ic9700361","","","0.71073","MoKα","","0.1181","0.0603","","0.1532","0.1321","","","","0.939","1.097","1.097","","","","","has coordinates,has disorder","179337","2020-10-21","18:00:00",""
"4323470","27.8224","0.0001","14.2541","0.0002","14.5549","0.0002","90","","90","","90","","5772.23","0.12","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H40 B Cl N7 Rh -","- C24 H40 B Cl N7 Rh -","- C192 H320 B8 Cl8 N56 Rh8 -","8","1","","Douglas D. Wick; William D. Jones","Synthesis and Characterization of (Tris(3,5-dimethylpyrazolyl)borato)rhodium Alkyl and Vinyl Chloride Complexes","Inorganic Chemistry","1997","36","","2723","2729","10.1021/ic961337y","","","0.71073","MoKα","","0.0735","0.0442","","0.1075","0.0924","","","","1.078","1.122","1.122","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323471","9.573","0.002","18.933","0.003","17.87","0.01","90","","103.7","0.04","90","","3147","2","233.2","","233.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 B Cl N7 O Rh -","- C28 H4 B Cl N7 O Rh -","- C112 H16 B4 Cl4 N28 O4 Rh4 -","4","1","","Douglas D. Wick; William D. Jones","Synthesis and Characterization of (Tris(3,5-dimethylpyrazolyl)borato)rhodium Alkyl and Vinyl Chloride Complexes","Inorganic Chemistry","1997","36","","2723","2729","10.1021/ic961337y","","","0.7107","MoKalpha","","","0.052","","","0.0441","","","","","1.271","1.271","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323472","10.9384","0.0006","17.3111","0.0009","13.5132","0.0007","90","","111.636","0.001","90","","2378.5","0.2","223","","223","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H31 B Cl2 N6 P Rh -","- C18 H31 B Cl2 N6 P Rh -","- C72 H124 B4 Cl8 N24 P4 Rh4 -","4","1","","Douglas D. Wick; William D. Jones","Synthesis and Characterization of (Tris(3,5-dimethylpyrazolyl)borato)rhodium Alkyl and Vinyl Chloride Complexes","Inorganic Chemistry","1997","36","","2723","2729","10.1021/ic961337y","","","0.71073","MoKα","","0.0301","0.0238","","0.0581","0.0553","","","","1.021","1.041","1.041","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323473","13.998","0.002","15.568","0.002","8.699","0.002","95.32","0.01","92.23","0.01","82.81","0.01","1872","0.6","20","","20","","","","","","","","","8","P -1","-P 1","2","","","","- C33 H38 Br2 Cl Cu N5 O9 Pb -","- C66 H76 Br4 Cl2 Cu2 N10 O18 Pb2 -","- C66 H76 Br4 Cl2 Cu2 N10 O18 Pb2 -","","","","Masami Yonemura; Yukiko Matsumura; Hideki Furutachi; Masaaki Ohba; Hisashi Ōkawa; David E. Fenton","Migratory Transmetalation in Diphenoxo-Bridged CuIIMII Complexes of a Dinucleating Macrocycle with N(amine)2O2 and N(imine)2O2 Metal-Binding Sites","Inorganic Chemistry","1997","36","","2711","2717","10.1021/ic9614430","","","0.7107","MoKalpha","","","0.058","","","0.069","","","","","3.02","3.02","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323474","12.29","0.003","13.402","0.004","11.501","0.002","95.1","0.02","116.68","0.02","112","0.02","1491.9","0.8","20","","20","","","","","","","","","8","P -1","-P 1","2","","","","- C25 H29 Br2 Cl Cu N4 O8 Zn -","- C50 H58 Br4 Cl2 Cu2 N8 O16 Zn2 -","- C50 H58 Br4 Cl2 Cu2 N8 O16 Zn2 -","","","","Masami Yonemura; Yukiko Matsumura; Hideki Furutachi; Masaaki Ohba; Hisashi Ōkawa; David E. Fenton","Migratory Transmetalation in Diphenoxo-Bridged CuIIMII Complexes of a Dinucleating Macrocycle with N(amine)2O2 and N(imine)2O2 Metal-Binding Sites","Inorganic Chemistry","1997","36","","2711","2717","10.1021/ic9614430","","","0.7107","MoKalpha","","","0.046","","","0.034","","","","","1.56","1.56","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323475","9.1483","0.0011","9.4868","0.0011","12.9776","0.0012","70.614","0.008","85.738","0.009","83.094","0.009","1054","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","compound 4","","","- C21 H27 Cl N2 Sb -","- C21 H27 Cl N2 Sb -","- C42 H54 Cl2 N4 Sb2 -","2","1","","Claire J. Carmalt; Alan H. Cowley; Robert D. Culp; Richard A. Jones; Smuruthi Kamepalli; Nicholas C. Norman","Synthesis and Structures of Intramolecularly Base-Coordinated Group 15 Aryl Halides","Inorganic Chemistry","1997","36","","2770","2776","10.1021/ic9701165","","","0.71073","MoKα","","0.1302","0.042","","0.0852","0.0647","","","","1.044","1.093","1.093","","","","","has coordinates,has disorder","179337","2020-10-21","18:00:00",""
"4323476","11.9498","0.001","11.4695","0.0011","13.9456","0.0008","90","","104.536","0.006","90","","1850.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound 5","","","- C18 H24 Bi Cl N2 -","- C18 H24 Bi Cl N2 -","- C72 H96 Bi4 Cl4 N8 -","4","1","","Claire J. Carmalt; Alan H. Cowley; Robert D. Culp; Richard A. Jones; Smuruthi Kamepalli; Nicholas C. Norman","Synthesis and Structures of Intramolecularly Base-Coordinated Group 15 Aryl Halides","Inorganic Chemistry","1997","36","","2770","2776","10.1021/ic9701165","","","0.71073","MoKα","","0.0607","0.0375","","0.0906","0.0827","","","","1.078","1.13","1.13","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323477","9.4991","0.0008","23.455","0.004","9.726","0.001","90","","100.629","0.008","90","","2129.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","COMPOUND 6","","","- C24 H24 Cl N2 Sb -","- C24 H24 Cl N2 Sb -","- C96 H96 Cl4 N8 Sb4 -","4","1","","Claire J. Carmalt; Alan H. Cowley; Robert D. Culp; Richard A. Jones; Smuruthi Kamepalli; Nicholas C. Norman","Synthesis and Structures of Intramolecularly Base-Coordinated Group 15 Aryl Halides","Inorganic Chemistry","1997","36","","2770","2776","10.1021/ic9701165","","","0.71073","MoKα","","0.0677","0.0406","","0.1132","0.0899","","","","1.051","1.071","1.071","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323478","9.713","0.003","9.8535","0.0014","13.31","0.003","90","","90","","90","","1273.9","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 8","","","- C12 H12 As Cl2 N -","- C12 H12 As Cl2 N -","- C48 H48 As4 Cl8 N4 -","4","1","","Claire J. Carmalt; Alan H. Cowley; Robert D. Culp; Richard A. Jones; Smuruthi Kamepalli; Nicholas C. Norman","Synthesis and Structures of Intramolecularly Base-Coordinated Group 15 Aryl Halides","Inorganic Chemistry","1997","36","","2770","2776","10.1021/ic9701165","","","0.71073","MoKα","","0.0957","0.0695","","0.1819","0.1588","","","","1.013","1.045","1.045","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323479","9.714","0.0013","10.0196","0.0011","13.444","0.003","90","","90","","90","","1308.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 9","","","- C12 H12 Cl2 N Sb -","- C12 H12 Cl2 N Sb -","- C48 H48 Cl8 N4 Sb4 -","4","1","","Claire J. Carmalt; Alan H. Cowley; Robert D. Culp; Richard A. Jones; Smuruthi Kamepalli; Nicholas C. Norman","Synthesis and Structures of Intramolecularly Base-Coordinated Group 15 Aryl Halides","Inorganic Chemistry","1997","36","","2770","2776","10.1021/ic9701165","","","0.71073","MoKα","","0.0835","0.032","","0.0745","0.0588","","","","1.074","1.068","1.068","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323480","7.9455","0.0007","19.3949","0.0013","8.6226","0.0009","90","","93.338","0.009","90","","1326.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound 11","","","- C9 H12 Bi I2 N -","- C9 H12 Bi I2 N -","- C36 H48 Bi4 I8 N4 -","4","1","","Claire J. Carmalt; Alan H. Cowley; Robert D. Culp; Richard A. Jones; Smuruthi Kamepalli; Nicholas C. Norman","Synthesis and Structures of Intramolecularly Base-Coordinated Group 15 Aryl Halides","Inorganic Chemistry","1997","36","","2770","2776","10.1021/ic9701165","","","0.71073","MoKα","","0.0575","0.0379","","0.0854","0.0794","","","","1.065","1.123","1.123","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323481","13.597","0.003","15.04","0.003","10.536","0.002","92.75","0.03","95.07","0.03","114.4","0.03","1946","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H32 Fe3 N4 O12 Tl2 -","- C28 H32 Fe3 N4 O12 Tl2 -","- C56 H64 Fe6 N8 O24 Tl4 -","2","1","","Jaap W. van Hal; Lawrence B. Alemany; Kenton H. Whitmire","Solution Dynamics of Thallium-Metal Carbonyl Compounds Using 205Tl NMR Spectroscopy","Inorganic Chemistry","1997","36","","3152","3159","10.1021/ic961203k","","","0.71073","MoKα","","0.0568","0.0461","","0.1377","0.1295","","","","1.142","1.173","1.173","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323482","16.855","0.003","6.779","0.001","19.049","0.004","90","","113.84","0.03","90","","1990.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Thallium Tris tetracarbonyl Cobaltate.","","- C12 Co3 O12 Tl -","- C12 Co3 O12 Tl -","- C48 Co12 O48 Tl4 -","4","1","","Jaap W. van Hal; Lawrence B. Alemany; Kenton H. Whitmire","Solution Dynamics of Thallium-Metal Carbonyl Compounds Using 205Tl NMR Spectroscopy","Inorganic Chemistry","1997","36","","3152","3159","10.1021/ic961203k","","","0.71073","MoKα","","0.0304","0.0221","","0.0573","0.0542","","","","1.07","1.092","1.092","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323483","10.789","0.002","14.239","0.003","16.703","0.003","69.39","0.03","89.5","0.03","69.07","0.03","2223.1","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Thallium Tris Cyclopentadienyl Iron dicarbonylate.","","- C21 H15 Fe3 O6 Tl -","- C21 H15 Fe3 O6 Tl -","- C84 H60 Fe12 O24 Tl4 -","4","2","","Jaap W. van Hal; Lawrence B. Alemany; Kenton H. Whitmire","Solution Dynamics of Thallium-Metal Carbonyl Compounds Using 205Tl NMR Spectroscopy","Inorganic Chemistry","1997","36","","3152","3159","10.1021/ic961203k","","","0.71073","MoKα","","0.05","0.035","","0.0973","0.0877","","","","1.099","1.148","1.148","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323484","18.29","0.003","18.29","0.003","8.479","0.002","90","","90","","120","","2456.4","0.8","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","Tris Benzyltrimethyl ammonium thallium tris Iron Tetracarbonylate","","- C42 H48 Fe3 N3 O12 Tl -","- C42 H48 Fe3 N3 O12 Tl -","- C84 H96 Fe6 N6 O24 Tl2 -","2","0.166667","","Jaap W. van Hal; Lawrence B. Alemany; Kenton H. Whitmire","Solution Dynamics of Thallium-Metal Carbonyl Compounds Using 205Tl NMR Spectroscopy","Inorganic Chemistry","1997","36","","3152","3159","10.1021/ic961203k","","","0.71073","MoKα","","0.0368","0.0235","","0.0533","0.0494","","","","1.009","1.039","1.039","","","","","has coordinates,has disorder","179337","2020-10-21","18:00:00",""
"4323485","8.902","0.002","21.405","0.004","12.084","0.003","90","","106.89","0.03","90","","2203.3","0.9","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 Fe4 N2 O16 Tl2 -","- C32 H40 Fe4 N2 O16 Tl2 -","- C64 H80 Fe8 N4 O32 Tl4 -","2","0.5","","Jaap W. van Hal; Lawrence B. Alemany; Kenton H. Whitmire","Solution Dynamics of Thallium-Metal Carbonyl Compounds Using 205Tl NMR Spectroscopy","Inorganic Chemistry","1997","36","","3152","3159","10.1021/ic961203k","","","0.71073","MoKα","","0.0549","0.0362","","0.2255","0.0926","","","","1.1","1.076","1.076","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323486","20.862","0.008","19.11","0.005","22.452","0.009","90","","110.09","0.03","90","","8406","5","295.2","","295.2","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C84 H66 B2 Cu F8 N8 O2 -","- C84 H66 B2 Cu F8 N8 O2 -","- C336 H264 B8 Cu4 F32 N32 O8 -","4","1","","Rajiv Bhalla; Madeleine Helliwell; C. David Garner","Synthesis and Coordination Chemistry of the Bis(imidazole) Ligand, Bis(1-methyl-4,5-diphenylimidaz-2-oyl)(benzyloxy)methane","Inorganic Chemistry","1997","36","","2944","2949","10.1021/ic961204c","","","1.5418","CuKα","","","0.1293","","","0.1385","","","","","3.704","3.704","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323487","9.748","0.001","24.157","0.005","17.209","0.002","90","","103.709","0.008","90","","3937","1","294.2","","294.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 Cl2 Cu N6 O7 -","- C41 H36 Cl2 Cu N6 O7 -","- C164 H144 Cl8 Cu4 N24 O28 -","4","1","","Rajiv Bhalla; Madeleine Helliwell; C. David Garner","Synthesis and Coordination Chemistry of the Bis(imidazole) Ligand, Bis(1-methyl-4,5-diphenylimidaz-2-oyl)(benzyloxy)methane","Inorganic Chemistry","1997","36","","2944","2949","10.1021/ic961204c","","","1.5418","CuKα","","","0.0657","","","0.0873","","","","","2.71","2.71","","","","","has coordinates","209476","2020-10-21","18:00:00",""
"4323488","17.171","0.005","13.988","0.003","17.897","0.005","90","","112.52","0.02","90","","3970.9","1.9","303.2","","303.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C44 H38 Cl2 Cu N4 O2 -","- C46 H38 Cl2 Cu N4 O2 -","- C184 H152 Cl8 Cu4 N16 O8 -","4","1","","Rajiv Bhalla; Madeleine Helliwell; C. David Garner","Synthesis and Coordination Chemistry of the Bis(imidazole) Ligand, Bis(1-methyl-4,5-diphenylimidaz-2-oyl)(benzyloxy)methane","Inorganic Chemistry","1997","36","","2944","2949","10.1021/ic961204c","","","1.5418","CuKα","","","0.0837","","","0.0923","","","","","2.507","2.507","","","","","has coordinates","209476","2020-10-21","18:00:00",""
"4323489","18.1457","0.0013","9.7811","0.0007","26.096","0.002","90","","105.086","0.005","90","","4472","0.6","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 Au2 B F4 Mo O2 P3 -","- C46 H44 Au2 B F4 Mo O2 P3 -","- C184 H176 Au8 B4 F16 Mo4 O8 P12 -","4","1","","Rossana Galassi; Rinaldo Poli; E. Alessandra Quadrelli; James C. Fettinger","H+/AuPPh3+ Exchange for the Hydride Complexes CpMoH(CO)2(L) (L = PMe3, PPh3, CO). Formation and Structure of [Cp(CO)2(PMe3)Mo(AuPPh3)2]+[BF4]-","Inorganic Chemistry","1997","36","","3001","3007","10.1021/ic961265a","","","0.71073","MoKα","","0.065","0.052","","0.1364","0.1293","","","","1.124","1.171","1.171","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323490","9.037","0.001","13.332","0.002","13.081","0.003","90","","93.38","0.01","90","","1573.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 K6 O32 Zr2 -","- C14 K6 O32 Zr2 -","- C28 K12 O64 Zr4 -","2","0.5","","Ricardo Baggio; Maria Teresa Garland; Mireille Perec","A Binuclear Zirconium(IV) Oxalate Complex with a μ-Oxalate Coordination Mode. Crystal Structure of K6[{Zr(C2O4)3}2(μ-C2O4)].4H2O","Inorganic Chemistry","1997","36","","3198","3200","10.1021/ic9613826","","","0.71073","MoKα","","0.0302","0.0271","","0.0732","0.0708","","","","1.146","1.157","1.157","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323491","9.4748","0.001","9.4748","0.001","42.159","0.006","90","","90","","90","","3784.7","0.8","297","2","297","2","","","","","","","current publication","6","P 43","P 4cw","78","","Bis-(triphenylphospnoranyliden)ammonium tetrakis-difluoromethylargentate(III)","","- C40 H34 Ag F8 N P2 -","- C40 H34 Ag F8 N P2 -","- C160 H136 Ag4 F32 N4 P8 -","4","1","","Reint Eujen; Berthold Hoge; David J. Brauer","Preparation and NMR Spectra of Difluoromethylated Silver(I) and Silver(III) Compounds. Structure of [PNP][Ag(CF~2~H)~4~].","Inorganic Chemistry","1997","36","","3160","3166","10.1021/ic961398w","","","1.54178","CuKα","","0.0469","0.0453","","0.1171","0.1155","","","","1.008","1.019","1.019","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323492","15.682","0.002","8.814","0.001","15.128","0.001","90","","108.39","0.01","90","","1984.2","0.4","178","2","178","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Ti(NMe2)3(N3)(bipy)]","","","- C16 H26 N8 Ti -","- C16 H26 N8 Ti -","- C64 H104 N32 Ti4 -","4","1","","Claire J. Carmalt; Alan H. Cowley; Robert D. Culp; Richard A. Jones; Yang-Ming Sun; Bill Fitts; Sandra Whaley; Herbert W. Roesky","Monomeric Titanium(IV) Azides as a New Route to Titanium Nitride","Inorganic Chemistry","1997","36","","3108","3112","10.1021/ic9614834","","","0.71073","MoKα","","0.1625","0.0671","","0.0977","0.0753","","","","1.037","1.178","1.178","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323493","7.12","0.001","15.899","0.003","16.946","0.004","90","","90","","90","","1918.3","0.6","178","2","178","2","","","","","","","","4","C 2 2 21","C 2c 2","20","[Ti(NMe2)2(N3)2(py)2]","","","- C14 H22 N10 Ti -","- C14 H22 N10 Ti -","- C56 H88 N40 Ti4 -","4","0.5","","Claire J. Carmalt; Alan H. Cowley; Robert D. Culp; Richard A. Jones; Yang-Ming Sun; Bill Fitts; Sandra Whaley; Herbert W. Roesky","Monomeric Titanium(IV) Azides as a New Route to Titanium Nitride","Inorganic Chemistry","1997","36","","3108","3112","10.1021/ic9614834","","","0.71073","MoKα","","0.0526","0.0418","","0.1269","0.1015","","","","1.097","1.128","1.128","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323494","7.358","0.002","16.808","0.004","14.837","0.006","90","","95.4","0.02","90","","1826.8","1","153","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","[Ti(NMe2)2(N3)2(bipy)]","","","- C14 H20 N10 Ti -","- C14 H20 N10 Ti -","- C56 H80 N40 Ti4 -","4","0.5","","Claire J. Carmalt; Alan H. Cowley; Robert D. Culp; Richard A. Jones; Yang-Ming Sun; Bill Fitts; Sandra Whaley; Herbert W. Roesky","Monomeric Titanium(IV) Azides as a New Route to Titanium Nitride","Inorganic Chemistry","1997","36","","3108","3112","10.1021/ic9614834","","","0.71073","MoKα","","0.1046","0.0671","","0.1692","0.1509","","","","1.101","1.186","1.186","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323495","9.156","0.002","12.168","0.002","9.027","0.003","92.86","0.02","117.74","0.02","105.06","0.02","842.2","0.4","213","","213.15","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H28 Cr N4 Ni O6 -","- C10 H28 Cr N4 Ni O6 -","- C20 H56 Cr2 N8 Ni2 O12 -","2","1","","Hiroki Oshio; Hiroshi Okamoto; Toshihiko Kikuchi; Tasuku Ito","The Ferromagnetic Chain System catena-(μ-CrO4-O,O')[NiII(cyclam)].2H2O","Inorganic Chemistry","1997","36","","3201","3203","10.1021/ic970180m","","","0.71073","xray_tube","","0.031","0.027","","0.037","0.036","","","","1.593","1.652","1.652","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4323496","13.676","0.003","13.833","0.002","16.447","0.004","70.8","0.02","84.9","0.02","71.64","0.02","2788.4","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H92 N2 O6 P4 W2 -","- C49 H92 N2 O6 P4 W2 -","- C98 H184 N4 O12 P8 W4 -","2","1","","Matthew D. Butts; Jeffrey C. Bryan; Xiao-Liang Luo; Gregory J. Kubas","Comparison of H-H versus Si-H σ-Bond Coordination and Activation on 16e Metal Fragments. Organosilane, N2, and Ethylene Addition to the Agostic Complex W(CO)3(PR3)2 and Dynamic NMR Behavior of the Latter","Inorganic Chemistry","1997","36","","3341","3353","10.1021/ic960870a","","","0.71073","MoKα","","0.0497","0.0303","","0.0794","0.0729","","","","1.023","1.061","1.061","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323497","11.25","0.005","12.716","0.006","14.458","0.006","87.01","0.04","81.03","0.03","74.04","0.03","1964.2","1.5","203","2","203","2","","","","","","","","5","P -1","-P 1","2","trans, mer bis(tricyclohexanophosphine)tricarbonylethylenetungsten","","","- C41 H70 O3 P2 W -","- C41 H70 O3 P2 W -","- C82 H140 O6 P4 W2 -","2","1","","Matthew D. Butts; Jeffrey C. Bryan; Xiao-Liang Luo; Gregory J. Kubas","Comparison of H-H versus Si-H σ-Bond Coordination and Activation on 16e Metal Fragments. Organosilane, N2, and Ethylene Addition to the Agostic Complex W(CO)3(PR3)2 and Dynamic NMR Behavior of the Latter","Inorganic Chemistry","1997","36","","3341","3353","10.1021/ic960870a","","","0.71073","MoKα","","0.0394","0.0289","","0.061","0.0576","","","","1.066","1.078","1.078","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323498","15.76","0.002","17.427","0.002","17.957","0.002","90","","90.39","0.008","90","","4931.8","1","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tri-isopropylphosphinetricarbonylhydridetungsten dimer μ-diphenylsilane","","","- C48 H64 O6 P2 Si2 W2 -","- C48 H62 O6 P2 Si2 W2 -","- C192 H248 O24 P8 Si8 W8 -","4","0.5","","Matthew D. Butts; Jeffrey C. Bryan; Xiao-Liang Luo; Gregory J. Kubas","Comparison of H-H versus Si-H σ-Bond Coordination and Activation on 16e Metal Fragments. Organosilane, N2, and Ethylene Addition to the Agostic Complex W(CO)3(PR3)2 and Dynamic NMR Behavior of the Latter","Inorganic Chemistry","1997","36","","3341","3353","10.1021/ic960870a","","","0.71073","MoKα","","0.0863","0.0607","","0.1661","0.1462","","","","1.05","1.088","1.088","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323499","14.059","0.003","14.06","0.003","11.531","0.002","108.47","0.03","102.78","0.03","108.61","0.03","1912.6","1.1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H32 Bi2 F40 Na4 O13 -","- C64 H32 Bi1.998 F40 Na4.002 O13 -","- C64 H32 Bi1.998 F40 Na4.002 O13 -","1","0.5","","Jennifer L. Jolas; Silke Hoppe; Kenton H. Whitmire","Oligomerization and Oxide Formation in Bismuth Aryloxides: Synthesis, Characterization, and Structures of [NaBi(OC6F5)4(THF)]∞and Na4Bi2(μ6-O)(OC6F5)8(THF)4","Inorganic Chemistry","1997","36","","3335","3340","10.1021/ic961481j","","","0.71073","MoKα","","0.1335","0.0833","","0.2296","0.2","","","","1.066","1.11","1.11","","","","","has coordinates,has disorder","179337","2020-10-21","18:00:00",""
"4323500","12.324","0.002","10.934","0.002","13.334","0.003","90","","91.19","0.03","90","","1796.4","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Catena-[Tetra(pentafluorophenoxy)bismuth]Sodium","","- C28 H8 Bi F20 Na O5 -","- C28 H8 Bi F20 Na O5 -","- C56 H16 Bi2 F40 Na2 O10 -","2","1","","Jennifer L. Jolas; Silke Hoppe; Kenton H. Whitmire","Oligomerization and Oxide Formation in Bismuth Aryloxides: Synthesis, Characterization, and Structures of [NaBi(OC6F5)4(THF)]∞and Na4Bi2(μ6-O)(OC6F5)8(THF)4","Inorganic Chemistry","1997","36","","3335","3340","10.1021/ic961481j","","","0.71069","MoKα","","0.0727","0.058","","0.1821","0.1558","","","","1.016","1.014","1.014","","","","","has coordinates,has disorder","179338","2020-10-21","18:00:00",""
"4323501","8.455","0.001","25.714","0.003","13.454","0.001","90","","104.839","0.008","90","","2827.5","0.5","293","2","293","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","cis,cis-Tetrachloro-bis(cyclohexylamido)-bis(trimethylphosphine)- ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(cyclohexylamido)-(cis,cis)- 1,2-bis(trimethylphosphine)ditungsten(III)","","- C18 H42 Cl4 N2 P2 W2 -","- C18 H42 Cl4 N2 P2 W2 -","- C72 H168 Cl16 N8 P8 W8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 7. Preparation, Characterization, and Structures of W2Cl4(NHR)2(NH2R)2 and W2Cl4(NHR)2(PMe3)2 (R =sec-Butyl and Cyclohexyl) and 31P{1H} NMR Studies of Trans-to-Cis Isomerizations of W2Cl4(NHR)2(PMe3)2","Inorganic Chemistry","1997","36","","3268","3276","10.1021/ic961485o","","","1.54184","CuKα","","0.043","0.0274","","0.0701","0.0639","","","","1.115","1.125","1.125","","","","","has coordinates,has disorder","179338","2020-10-21","18:00:00",""
"4323502","12.782","0.002","12.782","0.002","9.943","0.002","90","","90","","90","","1624.5","0.5","293","2","293","2","","","","","","","synthesized","5","P -4 21 c","P -4 2n","114","trans,trans-Tetrachloro-bis(cyclohexylamido)-bis(cyclohexylamine) ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(cyclohexylamido)-(trans,trans)-1,2- bis(cyclohexylamine) ditungsten(III)","","- C24 H50 Cl4 N4 W2 -","- C24 H50 Cl4 N4 W2 -","- C48 H100 Cl8 N8 W4 -","2","0.25","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 7. Preparation, Characterization, and Structures of W2Cl4(NHR)2(NH2R)2 and W2Cl4(NHR)2(PMe3)2 (R =sec-Butyl and Cyclohexyl) and 31P{1H} NMR Studies of Trans-to-Cis Isomerizations of W2Cl4(NHR)2(PMe3)2","Inorganic Chemistry","1997","36","","3268","3276","10.1021/ic961485o","","","1.54184","CuKα","","0.0574","0.0278","","0.0777","0.0657","","","","1.044","1.128","1.128","","","","","has coordinates,has disorder","179338","2020-10-21","18:00:00",""
"4323503","13.339","0.003","13.446","0.003","15.179","0.003","90","","99.33","0.02","90","","2686.4","1","293","2","293","2","","","","","","","synthesized","6","P 1 21/a 1","-P 2yab","14","cis,cis-Tetrachloro-bis(sec-butylamido)-bis(trimethylphosphine) ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(sec-butylamido)-(cis,cis)-1,2- bis(trimethylphosphine) ditungsten(III)","","- C14 H38 Cl4 N2 P2 W2 -","- C14 H38 Cl4 N2 P2 W2 -","- C56 H152 Cl16 N8 P8 W8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 7. Preparation, Characterization, and Structures of W2Cl4(NHR)2(NH2R)2 and W2Cl4(NHR)2(PMe3)2 (R =sec-Butyl and Cyclohexyl) and 31P{1H} NMR Studies of Trans-to-Cis Isomerizations of W2Cl4(NHR)2(PMe3)2","Inorganic Chemistry","1997","36","","3268","3276","10.1021/ic961485o","","","1.54184","CuKα","","0.0643","0.0565","","0.1716","0.1644","","","","1.134","1.159","1.159","","","","","has coordinates,has disorder","179338","2020-10-21","18:00:00",""
"4323504","10.5549","0.0007","12.2699","0.0008","16.8206","0.0012","105.905","0.001","95.893","0.001","111.01","0.001","1906.1","0.2","188","2","188","2","","","","","","","","7","P -1","-P 1","2","","","","- C41.5 H34 Cl2 N3 O0.5 P2 Re -","- C41.5 H34 Cl2 N3 O0.5 P2 Re -","- C83 H68 Cl4 N6 O P4 Re2 -","2","1","","Melissa Hirsch-Kuchma; Terrence Nicholson; Alan Davison; William M. Davis; Alun G. Jones","Synthesis and Characterization of Rhenium(III) and Technetium(III) Organohydrazide Chelate Complexes. Reactions of 2-Hydrazinopyridine with Complexes of Rhenium and Technetium","Inorganic Chemistry","1997","36","","3237","3241","10.1021/ic961489t","","","0.71073","MoKα","","0.065","0.0496","","0.1713","0.1454","","","","1.223","1.179","1.179","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323505","17.383","0.004","13.967","0.003","12.002","0.002","90","","90","","90","","2913.9","1","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H30 Cl2 N6 P2 Re -","- C26 H30 Cl2 N6 P2 Re -","- C104 H120 Cl8 N24 P8 Re4 -","4","1","","Melissa Hirsch-Kuchma; Terrence Nicholson; Alan Davison; William M. Davis; Alun G. Jones","Synthesis and Characterization of Rhenium(III) and Technetium(III) Organohydrazide Chelate Complexes. Reactions of 2-Hydrazinopyridine with Complexes of Rhenium and Technetium","Inorganic Chemistry","1997","36","","3237","3241","10.1021/ic961489t","","","0.71073","MoKα","","0.0384","0.0281","","0.084","0.0673","","","","1.227","1.044","1.044","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323506","12.4099","0.0001","13.7639","0.0001","25.8584","0.0005","79.39","0.001","79.927","0.001","65.511","0.001","3926.72","0.09","198","2","198","2","","","","","","","","9","P -1","-P 1","2","","","","- C76.5 H45 Br Cl Hg O21 P2 Re7 S -","- C76.5 H45 Br Cl Hg O21 P2 Re7 S -","- C153 H90 Br2 Cl2 Hg2 O42 P4 Re14 S2 -","2","1","","Udo Brand; Jeffery L. Coffer; Timothy J. Henly; Scott R. Wilson; John R. Shapley","Carbidoheptarhenate Complexes of Mercury Hydroxide and Arenethiolate. Crystal Structures of [NEt3Bz]2[Re7C(CO)21HgOH] and [PPh4]2[Re7C(CO)21HgSC6H4Br]","Inorganic Chemistry","1997","36","","3386","3389","10.1021/ic970068o","","","0.71073","MoKα","","0.0897","0.0433","","0.1021","0.0797","","","","1.053","1.14","1.14","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323507","15.346","0.002","18.188","0.003","12.072","0.002","90","0","90","0","90","0","3369.5","0.9","25","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H32 Cl2 N P2 Rh -","- C39 H32 Cl2 N P2 Rh -","- C156 H128 Cl8 N4 P8 Rh4 -","4","1","","William Lesueur; Euro Solari; Carlo Floriani; Angiola Chiesi-Villa; Corrado Rizzoli","A Bidentate Bisphosphine Functioning in Intramolecular Aliphatic Metalation and as an NMR Spectroscopic Probe for the Metal Coordination Environment","Inorganic Chemistry","1997","36","","3354","3362","10.1021/ic9700819","","","0.71069","MoKα","","0.1009","0.0419","","0.1665","0.1139","","","","0.852","0.938","0.938","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323508","11.987","0.001","15.99","0.002","10.872","0.001","91.42","0.01","111.01","0.02","99.86","0.02","1908.2","0.5","25","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H34 Cl6 P2 Pd -","- C41 H32 Cl10 P2 Pd -","- C82 H64 Cl20 P4 Pd2 -","2","1","","William Lesueur; Euro Solari; Carlo Floriani; Angiola Chiesi-Villa; Corrado Rizzoli","A Bidentate Bisphosphine Functioning in Intramolecular Aliphatic Metalation and as an NMR Spectroscopic Probe for the Metal Coordination Environment","Inorganic Chemistry","1997","36","","3354","3362","10.1021/ic9700819","","","1.54178","CuKα","","0.0537","0.0526","","0.1519","0.1427","","","","1.102","1.034","1.034","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323509","39.071","0.005","13.657","0.004","19.848","0.005","90","0","92.45","0.02","90","0","10581","4","25","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C64 H54 P3 Pd -","- C70 H48 P3 Pd -","- C560 H384 P24 Pd8 -","8","1","","William Lesueur; Euro Solari; Carlo Floriani; Angiola Chiesi-Villa; Corrado Rizzoli","A Bidentate Bisphosphine Functioning in Intramolecular Aliphatic Metalation and as an NMR Spectroscopic Probe for the Metal Coordination Environment","Inorganic Chemistry","1997","36","","3354","3362","10.1021/ic9700819","","","0.71069","MoKa","","0.2222","0.047","","0.1684","0.1032","","","","0.828","1.161","1.161","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323510","11.289","0.001","18.769","0.002","11.077","0.001","91.2","0.01","110.27","0.01","105.26","0.01","2107.7","0.4","25","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H45 Cl P2 Pd -","- C51 H45 Cl P2 Pd -","- C102 H90 Cl2 P4 Pd2 -","2","1","","William Lesueur; Euro Solari; Carlo Floriani; Angiola Chiesi-Villa; Corrado Rizzoli","A Bidentate Bisphosphine Functioning in Intramolecular Aliphatic Metalation and as an NMR Spectroscopic Probe for the Metal Coordination Environment","Inorganic Chemistry","1997","36","","3354","3362","10.1021/ic9700819","","","1.54178","CuKα","","0.0399","0.0387","","0.1124","0.1025","","","","1.021","1.021","1.021","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323511","21.63","0.01","14.49","0.03","21.04","0.02","90","","109.7","0.03","90","","6208","14","253","","253","","","","","","","","?","4","C 1 c 1","C -2yc","9","","","","- C45 H100 Lu4 O20 -","- C45 H99 Lu4 O20 -","- C180 H396 Lu16 O80 -","4","1","","Reiner Anwander; Florian C. Munck; Thomas Priermeier; Wolfgang Scherer; Oliver Runte; Wolfgang A. Herrmann","Volatile Donor-Functionalized Alkoxy Derivatives of Lutetium and Their Structural Characterization1","Inorganic Chemistry","1997","36","","3545","3552","10.1021/ic9700157","","","0.71073","MoKa","","","0.067","","","0.075","","","","","1.3439","1.3439","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4323512","13.51","0.001","15.13","0.001","38.953","0.004","90","","93.11","0.04","90","","7950.5","1.2","213.2","","213.2","","","","","","","","?","4","P 1 21/n 1","-P 2yn","14","","[Lu(OCMe2CH2OMe)3]2 Hexakis(1-methoxy-2-methyl-propan-2-olato)dilutetium","","- C30 H66 Lu2 O12 -","- C30 H66 Lu2 O12 -","- C240 H528 Lu16 O96 -","8","2","","Reiner Anwander; Florian C. Munck; Thomas Priermeier; Wolfgang Scherer; Oliver Runte; Wolfgang A. Herrmann","Volatile Donor-Functionalized Alkoxy Derivatives of Lutetium and Their Structural Characterization1","Inorganic Chemistry","1997","36","","3545","3552","10.1021/ic9700157","","","0.71073","MoKa","","","0.0354","","","0.036","","","","","1.0196","1.0196","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323513","31.113","0.002","7.7917","0.0005","17.9522","0.0012","90","","122.135","0.004","90","","3685.3","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H11 Mo O5 P -","- C18 H11 Mo O5 P -","- C144 H88 Mo8 O40 P8 -","8","1","","Klaus Eichele; Roderick E. Wasylishen; Kalyani Maitra; John H. Nelson; James F. Britten","Single-Crystal 31P NMR and X-ray Diffraction Study of a Molybdenum Phosphine Complex: (5-Methyldibenzophosphole)pentacarbonylmolybdenum(0)","Inorganic Chemistry","1997","36","","3539","3544","10.1021/ic970260q","","","0.71073","MoKα","","0.0299","0.0245","","0.0609","0.0584","","","","1.104","1.131","1.131","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323514","10.319","0.002","10.319","","13.859","0.003","90","","90","","90","","1475.7","0.4","296.2","","296.2","","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","","","","- K8 Tl10 Zn -","- K8 Tl10 Zn -","- K16 Tl20 Zn2 -","2","0.125","","Zhen-Chao Dong; Robert W. Henning; John D. Corbett","K8Tl10Zn: A Zintl Phase Containing the Zinc-Centered Thallium Polyanion Tl10Zn8-","Inorganic Chemistry","1997","36","","3559","3561","10.1021/ic970309s","","","0.7107","MoKalpha","","","0.0366","","","0.0364","","","","","1.07","1.07","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323515","16.975","0.002","12.771","0.001","26.541","0.003","90","","97.91","0.03","90","","5699","1.1","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H84 N2 O8 Si4 Ta2 -","- C50 H84 N2 O8 Si4 Ta2 -","- C200 H336 N8 O32 Si16 Ta8 -","4","1","","Alexander I. Gouzyr; Helge Wessel; Craig E. Barnes; Herbert W. Roesky; Markus Teichert; Isabel Usón","Formation of a Tantalum Siloxane Cage Complex in the Reaction of (η5-C5Me5)TaMe4 with a Silanetriol","Inorganic Chemistry","1997","36","","3392","3393","10.1021/ic970566x","","","0.71073","MoKα","","0.0697","0.044","","0.0981","0.0891","","","","1.087","1.153","1.153","","","","","has coordinates,has disorder","179338","2020-10-21","18:00:00",""
"4323516","14.396","0.004","17.543","0.003","20.518","0.002","82.419","0.011","76.83","0.014","69.16","0.015","4708","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H132 K3 N12 O24 P7 W2 -","- C66 H112 K3 N12 O24 P7 W2 -","- C132 H224 K6 N24 O48 P14 W4 -","2","1","","Scott Charles; Janet A. Danis; James C. Fettinger; Bryan W. Eichhorn","Rapid Inversion at Phosphorus in the [η4-(C6H11)3SnP7W(CO)3]2- and [(en)(CO)3W(η1,η4-P7)M(CO)3]3- Ions Where M = Cr, W","Inorganic Chemistry","1997","36","","3772","3778","10.1021/ic961177q","","","0.71073","MoKα","","0.1106","0.0552","","0.1576","0.1431","","","","1.027","1.204","1.204","","","","","has coordinates,has disorder","179338","2020-10-21","18:00:00",""
"4323517","12.247","0.002","15.1909","0.0014","21.292","0.003","97.374","0.01","93.273","0.013","111.217","0.009","3639.1","0.9","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H105 K2 N4 O15 P7 Sn W -","- C57 H105 K2 N4 O15 P7 Sn W -","- C114 H210 K4 N8 O30 P14 Sn2 W2 -","2","1","","Scott Charles; Janet A. Danis; James C. Fettinger; Bryan W. Eichhorn","Rapid Inversion at Phosphorus in the [η4-(C6H11)3SnP7W(CO)3]2- and [(en)(CO)3W(η1,η4-P7)M(CO)3]3- Ions Where M = Cr, W","Inorganic Chemistry","1997","36","","3772","3778","10.1021/ic961177q","","","0.71073","MoKα","","0.1533","0.105","","0.2269","0.2021","","","","1.14","1.264","1.264","","","","","has coordinates,has disorder","179338","2020-10-21","18:00:00",""
"4323518","10.06","0.002","4.3614","0.001","22.934","0.004","90","","90","","90","","1006.2","0.4","295","2","295","2","","","","","","","","3","P n m a","-P 2ac 2n","62","strontium tin antimonide","strontium tritin tetraantimonide","","- Sb4 Sn3 Sr -","- Sb4 Sn3 Sr -","- Sb16 Sn12 Sr4 -","4","0.5","","Donna T. Chow; Robert McDonald; Arthur Mar","Synthesis and Structure of the Zintl Phase SrSn3Sb4","Inorganic Chemistry","1997","36","","3750","3753","10.1021/ic9612212","","","0.71073","MoKα","","0.0942","0.0561","","0.1357","0.1174","","","","1.055","1.103","1.103","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323519","13.622","0.003","13.029","0.003","10.354","0.002","90","","90","","90","","1837.6","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H24 Cr N2 O6 -","- C14 H24 Cr N2 O6 -","- C56 H96 Cr4 N8 O24 -","4","1","","Donald J. Darensbourg; Jennifer D. Draper; Joseph H. Reibenspies","Amino Acid Complexes of Metal Carbonyls: Mechanistic Aspects of the CO-Labilizing Ability of Glycinate Ligands in Zero-Valent Chromium and Tungsten Derivatives","Inorganic Chemistry","1997","36","","3648","3656","10.1021/ic961344m","","","0.71073","MoKα","","0.1376","0.0745","","0.271","0.1943","","","","1.042","1.115","1.115","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323520","13.713","0.003","10.276","0.002","14.747","0.004","90","","112.72","0.02","90","","1916.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H26 Cr N2 O6 -","- C15 H26 Cr N2 O6 -","- C60 H104 Cr4 N8 O24 -","4","1","","Donald J. Darensbourg; Jennifer D. Draper; Joseph H. Reibenspies","Amino Acid Complexes of Metal Carbonyls: Mechanistic Aspects of the CO-Labilizing Ability of Glycinate Ligands in Zero-Valent Chromium and Tungsten Derivatives","Inorganic Chemistry","1997","36","","3648","3656","10.1021/ic961344m","","","0.71073","MoKα","","0.0824","0.039","","0.077","0.0715","","","","1.001","1.243","1.243","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323521","11.558","0.002","11.519","0.002","14.964","0.003","90","","96","0.03","90","","1981.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 Cr N2 O7 -","- C16 H28 Cr N2 O6 -","- C64 H112 Cr4 N8 O24 -","4","1","","Donald J. Darensbourg; Jennifer D. Draper; Joseph H. Reibenspies","Amino Acid Complexes of Metal Carbonyls: Mechanistic Aspects of the CO-Labilizing Ability of Glycinate Ligands in Zero-Valent Chromium and Tungsten Derivatives","Inorganic Chemistry","1997","36","","3648","3656","10.1021/ic961344m","","","0.71073","MoKα","","0.0522","0.0357","","0.0975","0.0886","","","","1.052","1.079","1.079","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323522","11.976","0.002","11.745","0.002","16.646","0.002","90","","110.05","0.01","90","","2199.5","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H32 N2 O6 W -","- C18 H32 N2 O6 W -","- C72 H128 N8 O24 W4 -","4","2","","Donald J. Darensbourg; Jennifer D. Draper; Joseph H. Reibenspies","Amino Acid Complexes of Metal Carbonyls: Mechanistic Aspects of the CO-Labilizing Ability of Glycinate Ligands in Zero-Valent Chromium and Tungsten Derivatives","Inorganic Chemistry","1997","36","","3648","3656","10.1021/ic961344m","","","1.54178","CuKα","","0.0737","0.0582","","0.1808","0.1368","","","","1.1","0.926","0.926","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323523","17.101","0.002","13.31","0.002","14.13","0.002","90","","95.12","0.01","90","","3203.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O6 P W -","- C30 H40 N O7 P W -","- C120 H160 N4 O28 P4 W4 -","4","1","","Donald J. Darensbourg; Jennifer D. Draper; Joseph H. Reibenspies","Amino Acid Complexes of Metal Carbonyls: Mechanistic Aspects of the CO-Labilizing Ability of Glycinate Ligands in Zero-Valent Chromium and Tungsten Derivatives","Inorganic Chemistry","1997","36","","3648","3656","10.1021/ic961344m","","","1.54178","CuKα","","0.0457","0.0324","","0.0798","0.0753","","","","1.105","1.157","1.157","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323524","9.293","0.002","10.837","0.002","13.457","0.003","90","","108.41","0.03","90","","1285.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","R,S-ferroceno[2,3,a]inden-1-one","","- C17 H12 Fe O -","- C17 H12 Fe O -","- C68 H48 Fe4 O4 -","4","1","","Rolfe H. Herber; Benno Bildstein; Peter Denifl; Herwig Schottenberger","Bonding, Hyperfine Interactions, and Lattice Dynamics of Cationic and Neutral Ferrocenyl-Substituted Allylic and Cumulenic Compounds","Inorganic Chemistry","1997","36","","3586","3594","10.1021/ic9614226","","","0.71073","MoKα","","0.0844","0.0574","","0.1581","0.1394","","","","1.062","1.129","1.129","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323525","11.922","0.004","26.592","0.01","13.511","0.005","90","","93.05","0.03","90","","4277","3","294","2","294","2","","","","","","","Brown synthesis","7","P 1 21 1","P 2yb","4","Aqua 10-chlorocobalamin perchlorate solvate","Aqua 10-chlorocobalamin perchlorate solvate","","- C68 H123 Cl2 Co N13 O32 P -","- C68 H104 Cl2 Co N13 O31.4 P -","- C136 H208 Cl4 Co2 N26 O62.8 P2 -","2","1","","Kenneth L. Brown; Shifa Cheng; Xiang Zou; Jeffrey D. Zubkowski; Edward J. Valente; Leanne Knapton; Helder M. Marques","Cis Effects in the Cobalt Corrins. 1. Crystal Structures of 10-Chloroaquacobalamin Perchlorate, 10-Chlorocyanocobalamin, and 10-Chloromethylcobalamin","Inorganic Chemistry","1997","36","","3666","3675","10.1021/ic9615077","","","0.71073","MoKα","","0.0708","0.0426","","0.105","0.0887","","","","0.736","0.966","0.966","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323526","16.235","0.033","21.853","0.046","26.755","0.081","90","","90","","90","","9492","4","294","2","294","2","","","","","","","Brown synthesis","7","P 21 21 21","P 2ac 2ab","19","10-chloro cyanocobalamin solvate","10-Chloro cyanocobalamin solvate","","- C66 H135 Cl Co N14 O39 P -","- C66 H87 Cl Co N14 O39.1 P -","- C264 H348 Cl4 Co4 N56 O156.4 P4 -","4","1","","Kenneth L. Brown; Shifa Cheng; Xiang Zou; Jeffrey D. Zubkowski; Edward J. Valente; Leanne Knapton; Helder M. Marques","Cis Effects in the Cobalt Corrins. 1. Crystal Structures of 10-Chloroaquacobalamin Perchlorate, 10-Chlorocyanocobalamin, and 10-Chloromethylcobalamin","Inorganic Chemistry","1997","36","","3666","3675","10.1021/ic9615077","","","0.71073","MoKα","","0.1966","0.0698","","0.0732","0.0504","","","","0.894","1.128","1.128","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323527","16.041","0.014","22.132","0.021","26.75","0.035","90","","90","","90","","9497","17","294","2","294","2","","","","","","","Brown synthesis","7","P 21 21 21","P 2ac 2ab","19","Methyl 10-chlorocobalamin acetone 20hydrate","Methyl 10-chlorocobalamin acetone 20hydrate","","- C63 H134 Cl Co N11 O34 P -","- C66 H101 Cl Co N13 O35 P -","- C264 H404 Cl4 Co4 N52 O140 P4 -","4","1","","Kenneth L. Brown; Shifa Cheng; Xiang Zou; Jeffrey D. Zubkowski; Edward J. Valente; Leanne Knapton; Helder M. Marques","Cis Effects in the Cobalt Corrins. 1. Crystal Structures of 10-Chloroaquacobalamin Perchlorate, 10-Chlorocyanocobalamin, and 10-Chloromethylcobalamin","Inorganic Chemistry","1997","36","","3666","3675","10.1021/ic9615077","","","0.71073","MoKα","","0.1466","0.0554","","0.1347","0.1072","","","","0.661","1.277","1.277","","","","","has coordinates,has disorder","179338","2020-10-21","18:00:00",""
"4323528","13.462","0.005","6.91","0.003","10.526","0.003","90","","90","","90","","979.2","0.6","293","2","293","2","","","","","","","HCl/HNO3","5","P n a 21","P 2c -2n","33","","Dioxonium pentachloronitrosylruthenate(II)","","- Cl5 H6 N O3 Ru -","- Cl5 N O3 Ru -","- Cl20 N4 O12 Ru4 -","4","1","","Pertti Homanen; Matti Haukka; Markku Ahlgrén; Tapani A. Pakkanen","Formation of Ruthenium Nitrosyl Complexes: Reactions of Ru(bpy)(CO)2Cl2 and Its Methyl-Substituted Analogues Ru(4,4'-dmbpy)(CO)2Cl2 and Ru(6,6'-dmbpy)(CO)2Cl2 in Oxidizing Acidic Solutions","Inorganic Chemistry","1997","36","","3794","3797","10.1021/ic970007q","","","0.71073","MoKα","","0.058","0.0427","","0.1039","0.0976","","","","0.935","1.016","1.016","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323529","8.359","0.002","19.625","0.008","10.339","0.004","90","","110.5","0.02","90","","1588.7","1","293","2","293","2","","","","","","","HCl/HNO3","6","P 1 21/n 1","-P 2yn","14","","(4,4'-dicarboxylic acid 2,2'-bipyridine)trichloronitrosyl ruthenium(II)","","- C12 H8 Cl3 N3 O5 Ru -","- C12 H8 Cl3 N3 O5 Ru -","- C48 H32 Cl12 N12 O20 Ru4 -","4","1","","Pertti Homanen; Matti Haukka; Markku Ahlgrén; Tapani A. Pakkanen","Formation of Ruthenium Nitrosyl Complexes: Reactions of Ru(bpy)(CO)2Cl2 and Its Methyl-Substituted Analogues Ru(4,4'-dmbpy)(CO)2Cl2 and Ru(6,6'-dmbpy)(CO)2Cl2 in Oxidizing Acidic Solutions","Inorganic Chemistry","1997","36","","3794","3797","10.1021/ic970007q","","","0.71073","MoKα","","0.084","0.0466","","0.0923","0.0801","","","","1.055","1.114","1.114","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4323530","10.57","0.002","11.226","0.001","13.976","0.002","90","","101.89","0.01","90","","1622.8","0.4","293","2","293","2","","","","","","","H2O/HNO3","6","P 1 21/c 1","-P 2ybc","14","","aqua(2,2'-bipyridine)dichloronitrosyl ruthenium(II) nitrate hydrate","","- C10 H12 Cl2 N4 O6 Ru -","- C10 H12 Cl2 N4 O6 Ru -","- C40 H48 Cl8 N16 O24 Ru4 -","4","1","","Pertti Homanen; Matti Haukka; Markku Ahlgrén; Tapani A. Pakkanen","Formation of Ruthenium Nitrosyl Complexes: Reactions of Ru(bpy)(CO)2Cl2 and Its Methyl-Substituted Analogues Ru(4,4'-dmbpy)(CO)2Cl2 and Ru(6,6'-dmbpy)(CO)2Cl2 in Oxidizing Acidic Solutions","Inorganic Chemistry","1997","36","","3794","3797","10.1021/ic970007q","","","0.71073","MoKα","","0.0577","0.0393","","0.0963","0.0914","","","","0.903","1.02","1.02","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323531","17.221","0.006","11.56","0.004","8.94","0.004","90","","102.71","0.03","90","","1736.1","1.2","293","2","293","2","","","","","","","H2O/HNO3","6","P 1 21/c 1","-P 2ybc","14","","aqua(4,4-dimethyl-2,2-bipyridine)dichloronitrosyl ruthenium(II) nitrate","","- C12 H14 Cl2 N4 O5 Ru -","- C12 H12 Cl2 N4 O5 Ru -","- C48 H48 Cl8 N16 O20 Ru4 -","4","1","","Pertti Homanen; Matti Haukka; Markku Ahlgrén; Tapani A. Pakkanen","Formation of Ruthenium Nitrosyl Complexes: Reactions of Ru(bpy)(CO)2Cl2 and Its Methyl-Substituted Analogues Ru(4,4'-dmbpy)(CO)2Cl2 and Ru(6,6'-dmbpy)(CO)2Cl2 in Oxidizing Acidic Solutions","Inorganic Chemistry","1997","36","","3794","3797","10.1021/ic970007q","","","0.71073","MoKα","","0.0748","0.0481","","0.1237","0.1171","","","","0.88","1.055","1.055","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323532","12.062","0.005","7.982","0.003","13.382","0.004","90","","107.78","0.03","90","","1226.9","0.8","293","2","293","2","","","","","","","HCl/HNO3","5","P 1 21/c 1","-P 2ybc","14","","(4,4-dicarboxylic acid)2,2-bipyridine hydrochloride","","- C12 H9 Cl N2 O4 -","- C12 H9 Cl N2 O4 -","- C48 H36 Cl4 N8 O16 -","4","1","","Pertti Homanen; Matti Haukka; Markku Ahlgrén; Tapani A. Pakkanen","Formation of Ruthenium Nitrosyl Complexes: Reactions of Ru(bpy)(CO)2Cl2 and Its Methyl-Substituted Analogues Ru(4,4'-dmbpy)(CO)2Cl2 and Ru(6,6'-dmbpy)(CO)2Cl2 in Oxidizing Acidic Solutions","Inorganic Chemistry","1997","36","","3794","3797","10.1021/ic970007q","","","0.71073","MoKα","","0.0817","0.034","","0.0645","0.0585","","","","0.688","0.941","0.941","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4323533","13.022","0.003","13.022","","17.218","0.005","90","","90","","90","","2919.7","1.1","294","2","294","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H27 F12 N8 O2 P2 Re -","- C17 H24 F12 N8 O2 P2 Re -","- C68 H96 F48 N32 O8 P8 Re4 -","4","0.25","","Suzanne Bélanger; André L. Beauchamp","Oxo Ligand Reactivity in the [ReO2L4]+ Complex of 1-Methylimidazole. Preparation and Crystal Structures of Salts Containing the ReOL43+ Core and Apical CH3O-, BF3O2-, and (CH3O)2PO2- Groups","Inorganic Chemistry","1997","36","","3640","3647","10.1021/ic970067w","","","1.54056","CopperKα","","0.0428","0.0271","","0.0758","0.0698","","","","0.916","1.027","1.027","","","","","has coordinates,has disorder","179338","2020-10-21","18:00:00",""
"4323534","14.165","0.004","13.052","0.006","20.931","0.006","90","","95.83","0.02","90","","3850","2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 F12 N8 O5 P3 Re -","- C25 H38 F12 N8 O5 P3 Re -","- C100 H152 F48 N32 O20 P12 Re4 -","4","1","","Suzanne Bélanger; André L. Beauchamp","Oxo Ligand Reactivity in the [ReO2L4]+ Complex of 1-Methylimidazole. Preparation and Crystal Structures of Salts Containing the ReOL43+ Core and Apical CH3O-, BF3O2-, and (CH3O)2PO2- Groups","Inorganic Chemistry","1997","36","","3640","3647","10.1021/ic970067w","","","1.54056","CopperKα","","0.0548","0.0373","","0.0903","0.0853","","","","0.918","1.022","1.022","","","","","has coordinates,has disorder","179338","2020-10-21","18:00:00",""
"4323535","13.373","0.004","13.237","0.003","16.689","0.006","90","0.02","103.67","0.03","90","0.02","2870.6","1.5","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 B F3 I3 N8 O2 Re -","- C16 H24 B F3 I3 N8 O2 Re -","- C64 H96 B4 F12 I12 N32 O8 Re4 -","4","1","","Suzanne Bélanger; André L. Beauchamp","Oxo Ligand Reactivity in the [ReO2L4]+ Complex of 1-Methylimidazole. Preparation and Crystal Structures of Salts Containing the ReOL43+ Core and Apical CH3O-, BF3O2-, and (CH3O)2PO2- Groups","Inorganic Chemistry","1997","36","","3640","3647","10.1021/ic970067w","","","1.54056","","","0.0759","0.0445","","0.1007","0.0939","","","","0.877","1.039","1.039","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323536","8.866","0.001","11.371","0.002","5.22","0.001","90","","90","","90","","526.26","0.15","296.2","","296.2","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca3 H2 Sn -","- Ca3 H2 Sn -","- Ca12 H8 Sn4 -","4","0.25","","Baoquan Huang; John D. Corbett","Intermetallic Hydrides as Zintl Phases: A3TtH2 Compounds (A = Ca, Yb; Tt = Sn, Pb) and Their Structural Relationship to the Corresponding Oxides","Inorganic Chemistry","1997","36","","3730","3734","10.1021/ic970289u","","","0.7107","MoKalpha","","","0.0149","","","0.0193","","","","","2.329","2.329","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323537","8.937","0.001","11.47","0.002","5.2551","0.0007","90","","90","","90","","538.69","0.13","296.2","","296.2","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca3 H2 Pb -","- Ca3 H2 Pb -","- Ca12 H8 Pb4 -","4","0.25","","Baoquan Huang; John D. Corbett","Intermetallic Hydrides as Zintl Phases: A3TtH2 Compounds (A = Ca, Yb; Tt = Sn, Pb) and Their Structural Relationship to the Corresponding Oxides","Inorganic Chemistry","1997","36","","3730","3734","10.1021/ic970289u","","","0.7107","MoKalpha","","","0.0227","","","0.0253","","","","","1.409","1.409","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323538","12.735","0.002","15.527","0.003","13.62","0.002","90","","90.607","0.014","90","","2693","0.8","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H68 Cl6 Nb2 O4 -","- C52 H80 Cl6 Nb2 O4 -","- C104 H160 Cl12 Nb4 O8 -","2","0.5","","Janet R. Clark; April L. Pulvirenti; Phillip E. Fanwick; Michaelis Sigalas; Odile Eisenstein; Ian P. Rothwell","Structural Distortions in Six-Coordinate Adducts of Niobium(V) and Tantalum(V)","Inorganic Chemistry","1997","36","","3623","3631","10.1021/ic970331l","","","1.54184","Cu-Kα","","0.183","0.062","","0.194","0.121","","","","1.129","0.997","0.997","","","","","has coordinates","189827","2020-10-21","18:00:00",""
"4323539","12.757","0.006","15.558","0.009","13.625","0.009","90","","90.83","0.06","90","","2704","3","297","","297","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 Cl3 O2 Ta -","- C26 H40 Cl3 O2 Ta -","- C104 H160 Cl12 O8 Ta4 -","4","1","","Janet R. Clark; April L. Pulvirenti; Phillip E. Fanwick; Michaelis Sigalas; Odile Eisenstein; Ian P. Rothwell","Structural Distortions in Six-Coordinate Adducts of Niobium(V) and Tantalum(V)","Inorganic Chemistry","1997","36","","3623","3631","10.1021/ic970331l","","","0.71073","Mo-Kα","","0.188","0.072","","0.242","0.16","","","","1.109","1.025","1.025","","","","","has coordinates","189245","2020-10-21","18:00:00",""
"4323540","11.622","0.002","13.283","0.005","20.666","0.007","90","","90","","90","","3190.3","1.7","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Cl3 N Nb O2 -","- C29 H39 Cl3 N Nb O2 -","- C116 H156 Cl12 N4 Nb4 O8 -","4","1","","Janet R. Clark; April L. Pulvirenti; Phillip E. Fanwick; Michaelis Sigalas; Odile Eisenstein; Ian P. Rothwell","Structural Distortions in Six-Coordinate Adducts of Niobium(V) and Tantalum(V)","Inorganic Chemistry","1997","36","","3623","3631","10.1021/ic970331l","","","0.71073","Mo-Kα","","0.071","0.031","","","0.036","","","","","1.062","1.062","","","","","has coordinates","189827","2020-10-21","18:00:00",""
"4323541","11.648","0.002","13.273","0.003","20.624","0.006","90","","90","","90","","3188.6","1.3","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Cl3 N O2 Ta -","- C29 H39 Cl3 N O2 Ta -","- C116 H156 Cl12 N4 O8 Ta4 -","4","1","","Janet R. Clark; April L. Pulvirenti; Phillip E. Fanwick; Michaelis Sigalas; Odile Eisenstein; Ian P. Rothwell","Structural Distortions in Six-Coordinate Adducts of Niobium(V) and Tantalum(V)","Inorganic Chemistry","1997","36","","3623","3631","10.1021/ic970331l","","","0.71073","Mo-Kα","","0.046","0.029","","","0.036","","","","","1.114","1.114","","","","","has coordinates","189827","2020-10-21","18:00:00",""
"4323542","19.153","0.004","17.372","0.005","10.461","0.008","90","","90","","90","","3481","3","297","","297","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H45 Cl3 Nb O2 P -","- C32 H45 Cl3 Nb O2 P -","- C128 H180 Cl12 Nb4 O8 P4 -","4","1","","Janet R. Clark; April L. Pulvirenti; Phillip E. Fanwick; Michaelis Sigalas; Odile Eisenstein; Ian P. Rothwell","Structural Distortions in Six-Coordinate Adducts of Niobium(V) and Tantalum(V)","Inorganic Chemistry","1997","36","","3623","3631","10.1021/ic970331l","","","0.71073","Mo-Kα","","0.23","0.062","","0","0.114","","","","0","1.075","1.075","","","","","has coordinates","189827","2020-10-21","18:00:00",""
"4323543","13.1862","0.0009","13.3274","0.0012","13.4391","0.0016","85.553","0.009","73.433","0.009","89.794","0.007","2256.5","0.4","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H62 Cl2 Nb O3 P -","- C44 H62 Cl2 Nb O3 P -","- C88 H124 Cl4 Nb2 O6 P2 -","2","1","","Janet R. Clark; April L. Pulvirenti; Phillip E. Fanwick; Michaelis Sigalas; Odile Eisenstein; Ian P. Rothwell","Structural Distortions in Six-Coordinate Adducts of Niobium(V) and Tantalum(V)","Inorganic Chemistry","1997","36","","3623","3631","10.1021/ic970331l","","","0.71073","Mo-Kα","","0.071","0.039","","0.112","0.086","","","","1.169","1.038","1.038","","","","","has coordinates","189827","2020-10-21","18:00:00",""
"4323544","13.1685","0.0015","13.337","0.002","13.421","0.0016","85.553","0.012","73.584","0.01","89.735","0.012","2253.8","0.5","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H62 Cl2 O3 P Ta -","- C44 H62 Cl2 O3 P Ta -","- C88 H124 Cl4 O6 P2 Ta2 -","2","1","","Janet R. Clark; April L. Pulvirenti; Phillip E. Fanwick; Michaelis Sigalas; Odile Eisenstein; Ian P. Rothwell","Structural Distortions in Six-Coordinate Adducts of Niobium(V) and Tantalum(V)","Inorganic Chemistry","1997","36","","3623","3631","10.1021/ic970331l","","","0.71073","Mo-Kα","","0.048","0.026","","","0.028","","","","","1.326","1.326","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323545","10.505","0.002","12.967","0.004","19.289","0.003","83.174","0.019","89.352","0.015","89.2","0.02","2608.5","1","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H69 Cl3 Nb O3 P -","- C50 H69 Cl3 Nb O3 P -","- C100 H138 Cl6 Nb2 O6 P2 -","2","1","","Janet R. Clark; April L. Pulvirenti; Phillip E. Fanwick; Michaelis Sigalas; Odile Eisenstein; Ian P. Rothwell","Structural Distortions in Six-Coordinate Adducts of Niobium(V) and Tantalum(V)","Inorganic Chemistry","1997","36","","3623","3631","10.1021/ic970331l","","","0.71073","Mo-Kα","","0.134","0.046","","","0.052","","","","","1.351","1.351","","","","","has coordinates","189827","2020-10-21","18:00:00",""
"4323546","19.786","0.005","19.071","0.004","27.397","0.005","90","","90.22","0.03","90","","10338","4","293","2","293","2","","","","","","","addition of [Ph4P]I to the brown solid from reaction of ZrCl4 with HSnBu3'","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H79 Cl23.19 I0.81 P3 Zr6 -","- C82 H55 Cl23.181 I0.819 P3 Zr6 -","- C328 H220 Cl92.724 I3.276 P12 Zr24 -","4","1","","Linfeng Chen; F. Albert Cotton; William A. Wojtczak","Synthesis and Structural Characterization of Compounds Containing the [Zr6Cl18H5]3- Cluster Anion. Determination of the Number of Cluster Hydrogen Atoms","Inorganic Chemistry","1997","36","","4047","4054","10.1021/ic960173i","","","0.7093","MoKα","","0.1591","0.0582","","0.168","0.1226","","","","1.072","1.103","1.103","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4323547","15.993","0.003","22.237","0.003","14.67","0.004","95.31","0.01","112.07","0.02","82.06","0.02","4783.9","1.8","293","2","293","2","","","","","","","reduction of ZrCl4 with HSnBu3 followed by addition of [Ph4P]Cl","5","P -1","-P 1","2","","tris(tetraphenylphosphonium) dodecakis-/m-chloro-hexachloro- pentahydrido-hexa-zirconium tris(dicloromethane solvate)","","- C75 H71 Cl24 P3 Zr6 -","- C75 H60 Cl23.999 P3 Zr6 -","- C150 H120 Cl47.998 P6 Zr12 -","2","1","","Linfeng Chen; F. Albert Cotton; William A. Wojtczak","Synthesis and Structural Characterization of Compounds Containing the [Zr6Cl18H5]3- Cluster Anion. Determination of the Number of Cluster Hydrogen Atoms","Inorganic Chemistry","1997","36","","4047","4054","10.1021/ic960173i","","","0.71073","MoKα","","0.0606","0.0372","","0.1118","0.0963","","","","1.07","1.079","1.079","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323548","14.501","0.005","26.63","0.009","14.049","0.005","90.39","0.03","94.19","0.03","82.59","0.01","5365","3","213","2","213","2","","","","","","","reduction of ZrCl4 with HSnBu3 followed by addition of [Ph4P]Cl","5","P -1","-P 1","2","","tris(tetraphenylphosphonium) dodecakis-μ-chloro-hexachloro- pentahydrido-hexa-zirconium tetrakis(toluene solvate)","","- C100 H97 Cl18 P3 Zr6 -","- C100 H89 Cl18 P3 Zr6 -","- C200 H178 Cl36 P6 Zr12 -","2","1","","Linfeng Chen; F. Albert Cotton; William A. Wojtczak","Synthesis and Structural Characterization of Compounds Containing the [Zr6Cl18H5]3- Cluster Anion. Determination of the Number of Cluster Hydrogen Atoms","Inorganic Chemistry","1997","36","","4047","4054","10.1021/ic960173i","","","0.71073","MoKα","","0.1141","0.0694","","0.1683","0.1424","","","","1.055","1.102","1.102","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323549","33.196","0.002","33.196","0.002","15.236","0.002","90","","90","","90","","16790","3","293","2","293","2","","","","","","","reaction of ZrCl4 with HSnBu3 followed by addition of [Ph4P]Cl,crystallized in MeCN/hexane/Et2O system","5","I 41/a :2","-I 4ad","88","","tris(tetraphenylphosphnium) dodecakis-μ-chloro-hexachloro- pentahydrido-hexa-zirconium","","- C72 H65 Cl18 P3 Zr6 -","- C72 H60 Cl18 P3 Zr6 -","- C576 H480 Cl144 P24 Zr48 -","8","0.5","","Linfeng Chen; F. Albert Cotton; William A. Wojtczak","Synthesis and Structural Characterization of Compounds Containing the [Zr6Cl18H5]3- Cluster Anion. Determination of the Number of Cluster Hydrogen Atoms","Inorganic Chemistry","1997","36","","4047","4054","10.1021/ic960173i","","","0.71073","MoKα","","0.0809","0.0413","","0.0687","0.0635","","","","0.912","1.065","1.065","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323550","15.093","0.003","15.093","0.003","15.093","0.003","90","","90","","90","","3438.2","1.2","213","2","213","2","","","","","","","reduction of ZrCl4 with HSnBu3 followd by addition of [Pr4N]Cl","5","I m -3 m","-I 4 2 3","229","","tris(tetrapropylammonium)-dodecakis(μ-chloro)-hexachloro- pentahydrido-hexa-zirconium","","- C36 H89 Cl18 N3 Zr6 -","- C36 Cl18 N3 Zr6 -","- C72 Cl36 N6 Zr12 -","2","0.0208333","","Linfeng Chen; F. Albert Cotton; William A. Wojtczak","Synthesis and Structural Characterization of Compounds Containing the [Zr6Cl18H5]3- Cluster Anion. Determination of the Number of Cluster Hydrogen Atoms","Inorganic Chemistry","1997","36","","4047","4054","10.1021/ic960173i","","","0.71073","MoKα","","0.0809","0.0432","","0.1186","0.1092","","","","1.024","1.227","1.227","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323551","21.156","0.001","24.584","0.003","11.713","0.002","90","","90","","90","","6091.9","1.3","193","2","193","2","","","","","","","reaction of ZrCl4 with HSnBu3 followed addition of [Et4N]Cl","5","P n m a","-P 2ac 2n","62","","tris(tetraethylammonium) dodecakis-μ-chloro-hexachloro-pentahydrido- hexa-zirconium 2.43-acetonitrile solvate","","- C28.87 H70.92 Cl18 N5.43 Zr6 -","- C14.22 H23 Cl9 N2.61 Zr3 -","- C113.76 H184 Cl72 N20.88 Zr24 -","8","1","","Linfeng Chen; F. Albert Cotton; William A. Wojtczak","Synthesis and Structural Characterization of Compounds Containing the [Zr6Cl18H5]3- Cluster Anion. Determination of the Number of Cluster Hydrogen Atoms","Inorganic Chemistry","1997","36","","4047","4054","10.1021/ic960173i","","","0.71073","MoKα","","0.1038","0.0862","","0.1782","0.1676","","","","1.26","1.298","1.298","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323552","18.396","0.001","16.72","0.001","19.171","0.001","96.102","0.002","87.679","0.002","99.139","0.002","5787.1","0.6","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C96 H102 Cl4 Cu8 N16 O49 -","- C96 H79 Cl4 Cu8 N16 O49 -","- C192 H158 Cl8 Cu16 N32 O98 -","2","1","","Vasilis Tangoulis; Catherine P. Raptopoulou; Aris Terzis; Sofia Paschalidou; Spyros P. Perlepes; Evangelos G. Bakalbassis","Octanuclearity in Copper(II) Chemistry: Preparation, Characterization, and Magnetochemistry of [Cu8(dpk.OH)8(O2CCH3)4](ClO4)4.9H2O (dpk.H2O = the Hydrated, gem-Diol Form of Di-2-pyridyl Ketone)","Inorganic Chemistry","1997","36","","3996","4006","10.1021/ic961137m","","","0.7107","MoKα","","0.0699","0.055","","0.1763","0.1607","","","","1.038","1.066","1.066","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323553","13","0.002","8.008","0.001","27.095","0.003","90","","93.19","0.01","90","","2816.3","0.6","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Cl Cu N4 O12 -","- C24 H27 Cl Cu N4 O12 -","- C96 H108 Cl4 Cu4 N16 O48 -","4","1","","Vasilis Tangoulis; Catherine P. Raptopoulou; Aris Terzis; Sofia Paschalidou; Spyros P. Perlepes; Evangelos G. Bakalbassis","Octanuclearity in Copper(II) Chemistry: Preparation, Characterization, and Magnetochemistry of [Cu8(dpk.OH)8(O2CCH3)4](ClO4)4.9H2O (dpk.H2O = the Hydrated, gem-Diol Form of Di-2-pyridyl Ketone)","Inorganic Chemistry","1997","36","","3996","4006","10.1021/ic961137m","","","0.71073","MoKα","","0.0816","0.0629","","0.1911","0.1721","","","","1.077","1.107","1.107","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323554","10.689","0.001","24.465","0.003","16.228","0.002","90","","90.54","0.01","90","","4243.5","0.8","298.2","","298.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H45 Cl2 Cu2 N12 O10 -","- C31 H42 Cl2 Cu2 N12 O10 -","- C124 H168 Cl8 Cu8 N48 O40 -","4","1","","Masahito Kodera; Norihisa Terasako; Toshio Kita; Yoshimitsu Tachi; Koji Kano; Mikio Yamazaki; Masayuki Koikawa; Tadashi Tokii","Synthesis, Crystal Structures, and Catalytic Activity of Dicopper(II) Complexes with Dinucleating Tetraimidazole Ligands [Cu2(RO)(mbipl)](ClO4)2 (R = Me, Et, 2-Pr; Hmbipl = 1,5-Bis[bis[(1-methyl-4-imidazolyl)methyl]amino]-3-pentanol) and [Cu2(MeO)(pbipl)](ClO4)2 (Hpbipl = 1,5-Bis[bis[(1-isopropyl-4-imidazolyl)methyl]amino]-3-pentanol)","Inorganic Chemistry","1997","36","","3861","3868","10.1021/ic961267v","","","1.5418","CuKα","","","0.0734","","","0.0812","","","","","3.058","3.058","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323555","28.46","0.01","19.28","0.005","18.339","0.004","90","","90","","90","","10063","5","293.2","","293.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H62 Cl4 Cu2 N10 O11 -","- C36 H56 Cl4 Cu2 N10 O11 -","- C288 H448 Cl32 Cu16 N80 O88 -","8","1","","Masahito Kodera; Norihisa Terasako; Toshio Kita; Yoshimitsu Tachi; Koji Kano; Mikio Yamazaki; Masayuki Koikawa; Tadashi Tokii","Synthesis, Crystal Structures, and Catalytic Activity of Dicopper(II) Complexes with Dinucleating Tetraimidazole Ligands [Cu2(RO)(mbipl)](ClO4)2 (R = Me, Et, 2-Pr; Hmbipl = 1,5-Bis[bis[(1-methyl-4-imidazolyl)methyl]amino]-3-pentanol) and [Cu2(MeO)(pbipl)](ClO4)2 (Hpbipl = 1,5-Bis[bis[(1-isopropyl-4-imidazolyl)methyl]amino]-3-pentanol)","Inorganic Chemistry","1997","36","","3861","3868","10.1021/ic961267v","","","0.7107","MoKα","","","0.0644","","","0.0683","","","","","1.06","1.06","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323556","10.167","0.002","11.358","0.002","11.672","0.002","61.52","0.01","74.5","0.01","74.3","0.01","1125.2","0.4","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H38 Cl4 Ge N4 O4 -","- C50 H38 Cl4 Ge N4 O4 -","- C50 H38 Cl4 Ge N4 O4 -","1","0.5","","Shwu-Juian Lin; Tay-Ning Hong; Jo-Yu Tung; Jyh-Horung Chen","Molecular Structures of Ge(tpp)(OAc)2and In(tpp)(OAc) and Their Implications: Correlations between the 13C NMR Chemical Shift of the Acetato Ligand and Different Types of Carboxylate Coordination in M(por)(OAc)n {por = tpp (5,10,15,20-Tetraphenylporphyrinate), tmpp (5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrinate), tpyp (5,10,15,20-Tetrakis(4-pyridyl)porphyrinate); M = Ga, In, Tl, Ge, Sn; n= 1, 2}","Inorganic Chemistry","1997","36","","3886","3891","10.1021/ic961304i","","","0.71073","MoKα","","","0.077","","","0.098","","","","","1.29","1.29","","","","","has coordinates,has disorder","189889","2020-10-21","18:00:00",""
"4323557","10.293","0.001","16.601","0.002","21.054","0.002","90","","90.28","0.01","90","","3597.5","0.7","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H31 In N2 O4 -","- C46 H31 In N4 O2 -","- C184 H124 In4 N16 O8 -","4","1","","Shwu-Juian Lin; Tay-Ning Hong; Jo-Yu Tung; Jyh-Horung Chen","Molecular Structures of Ge(tpp)(OAc)2and In(tpp)(OAc) and Their Implications: Correlations between the 13C NMR Chemical Shift of the Acetato Ligand and Different Types of Carboxylate Coordination in M(por)(OAc)n {por = tpp (5,10,15,20-Tetraphenylporphyrinate), tmpp (5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrinate), tpyp (5,10,15,20-Tetrakis(4-pyridyl)porphyrinate); M = Ga, In, Tl, Ge, Sn; n= 1, 2}","Inorganic Chemistry","1997","36","","3886","3891","10.1021/ic961304i","","","0.71073","MoKα","","","0.037","","","0.049","","","","","1.14","1.14","","","","","has coordinates","189894","2020-10-21","18:00:00",""
"4323558","10.4741","0.0011","11.1625","0.0012","19.861","0.002","81.385","0.002","82.566","0.002","70.793","0.002","2160.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Salen(tBu)(B(OEt2)2)2","","","- C40 H68 B2 N2 O6 -","- C40 H57 B2 N2 O6 -","- C80 H114 B4 N4 O12 -","2","1","","Pingrong Wei; David A. Atwood","Bimetallic Borate Derivatives of the Salen Ligands","Inorganic Chemistry","1997","36","","4060","4065","10.1021/ic970089i","","","0.71073","MoKα","","0.1312","0.0906","","0.2289","0.1904","","","","1.263","1.409","1.409","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323559","10.6824","0.0007","6.721","0.0005","15.5497","0.001","90","","109.226","0.001","90","","1054.15","0.12","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Salen({B(OMe)2}2","","","- C10 H1.25 B0.5 N0.5 O1.5 -","- C10 H13 B N O3 -","- C40 H52 B4 N4 O12 -","4","1","","Pingrong Wei; David A. Atwood","Bimetallic Borate Derivatives of the Salen Ligands","Inorganic Chemistry","1997","36","","4060","4065","10.1021/ic970089i","","","0.71073","MoKα","","0.0581","0.0515","","0.1472","0.1348","","","","3.657","3.859","3.859","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323560","9.4889","0.0005","14.9421","0.0007","15.0699","0.0007","82.988","0.001","87.089","0.001","77.277","0.001","2067.99","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Salpen(tBu){B(OMe)2}2","","","- C45 H45 B3 N3 O6 -","- C40.5 H63.5 B2 N2 O6 -","- C81 H127 B4 N4 O12 -","2","1","","Pingrong Wei; David A. Atwood","Bimetallic Borate Derivatives of the Salen Ligands","Inorganic Chemistry","1997","36","","4060","4065","10.1021/ic970089i","","","0.71073","MoKα","","0.0823","0.0773","","0.2089","0.2027","","","","1.026","1.046","1.046","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323561","6.1998","0.0004","13.8853","0.0011","28.576","0.002","88.973","0.002","83.822","0.001","77.114","0.001","2384.1","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","Salpten{B(OMe)2}2","","","- C23 H32 B2 N2 O6 -","- C23 H32 B2 N2 O6 -","- C92 H128 B8 N8 O24 -","4","2","","Pingrong Wei; David A. Atwood","Bimetallic Borate Derivatives of the Salen Ligands","Inorganic Chemistry","1997","36","","4060","4065","10.1021/ic970089i","","","0.71073","MoKα","","0.1167","0.0818","","0.2576","0.1955","","","","0.87","0.895","0.895","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323562","8.6718","0.0009","13.2311","0.0013","13.3266","0.0014","109.315","0.002","98.544","0.002","104.561","0.002","1351","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Salpen{B(OMe)2}2","","","- C25 H36 B2 N2 O6 -","- C25 H36 B2 N2 O6 -","- C50 H72 B4 N4 O12 -","2","1","","Pingrong Wei; David A. Atwood","Bimetallic Borate Derivatives of the Salen Ligands","Inorganic Chemistry","1997","36","","4060","4065","10.1021/ic970089i","","","0.71073","MoKα","","0.1064","0.0719","","0.1556","0.1346","","","","1.145","1.211","1.211","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323563","8.4718","0.0007","18.5982","0.0015","30.832","0.003","88.285","0.003","82.218","0.002","76.892","0.002","4687.7","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Salhen({B(OEt)2}2","","","- C82 H124 B6 N6 O18 -","- C84 H126 B6 N6 O18 -","- C168 H252 B12 N12 O36 -","2","1","","Pingrong Wei; David A. Atwood","Bimetallic Borate Derivatives of the Salen Ligands","Inorganic Chemistry","1997","36","","4060","4065","10.1021/ic970089i","","","0.71073","MoKα","","0.1964","0.1265","","0.3432","0.2836","","","","0.793","0.909","0.909","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323564","10.2755","0.001","13.975","0.0012","16.4354","0.0012","79.376","0.007","86.989","0.007","69.981","0.007","2179.4","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","","2,9-dineopentyl-1,10-phenanthroline copper(I) pentaflourophosphate","","- C44 H56 Cu F6 N4 P -","- C46 H62 Cu F12 N4 P -","- C92 H124 Cu2 F24 N8 P2 -","2","1","","Michèle K. Eggleston; Phillip E. Fanwick; Alexander J. Pallenberg; David R. McMillin","A Twist on the Copper Center in the Crystal Structure of [Cu(dnpp)2]PF6 and the Charge-Transfer Excited State? (dnpp = 2,9-Dineopentyl-1,10-phenanthroline)","Inorganic Chemistry","1997","36","","4007","4010","10.1021/ic970135e","","","1.54184","Cu-Kα","","0.081","0.051","","0.159","0.131","","","","1.04","1.007","1.007","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323565","10.9657","0.0004","12.175","0.0005","12.9142","0.0005","62.163","0.001","67.776","0.001","84.187","0.001","1405.37","0.1","293","2","293","2","","","","","","","","6","P 1","P 1","1","","Bis[4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane- potassium(+1)] closo-pentagermanium(2-) tetrahydrofuran","","- C40 H80 Ge5 K2 N4 O13 -","- C40 H80 Ge5 K2 N4 O13 -","- C40 H80 Ge5 K2 N4 O13 -","1","1","","Janette Campbell; Gary J. Schrobilgen","The closo-Ge52- Anion: Synthesis, Crystal Structure, and Raman Spectrum of (2,2,2-crypt-K+)2Ge52-.THF","Inorganic Chemistry","1997","36","","4078","4081","10.1021/ic970191f","","","0.71073","MoKα","","0.0589","0.0432","","0.1187","0.1068","","","","1.017","1.036","1.036","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323566","11.9155","0.0001","28.7491","0.0004","17.2033","0.0002","90","","108.497","0.001","90","","5588.72","0.12","188","2","188","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H64 N2 O8 -","- C68 H64 N2 O8 -","- C272 H256 N8 O32 -","4","1","","Daniel D. LeCloux","Synthesis and Characterization of a Novel Class of Dicopper(I) Bis(carboxylate)-Bridged Complexes","Inorganic Chemistry","1997","36","","4035","4046","10.1021/ic970302a","","","0.71073","MoKα","","0.0783","0.0515","","0.127","0.1126","","","","1.025","1.083","1.083","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323567","13.61","0.0002","16.1248","0.0003","17.6981","0.0001","90","","112.21","0.0007","90","","3595.83","0.09","188","2","188","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Cu2 N4 O8 -","- C36 H44 Cu2 N4 O8 -","- C144 H176 Cu8 N16 O32 -","4","1","","Daniel D. LeCloux","Synthesis and Characterization of a Novel Class of Dicopper(I) Bis(carboxylate)-Bridged Complexes","Inorganic Chemistry","1997","36","","4035","4046","10.1021/ic970302a","","","0.71073","MoKα","","0.0434","0.0341","","0.0799","0.0759","","","","1.047","1.088","1.088","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323568","41.7699","0.0006","20.0704","0.0001","16.2744","0.0002","90","","102.953","0.001","90","","13296.3","0.3","188","2","188","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H73 Cl Cu2 N2 O8 P2 -","- C74 H68 Cl Cu2 N2 O8 P2 -","- C592 H544 Cl8 Cu16 N16 O64 P16 -","8","1","","Daniel D. LeCloux","Synthesis and Characterization of a Novel Class of Dicopper(I) Bis(carboxylate)-Bridged Complexes","Inorganic Chemistry","1997","36","","4035","4046","10.1021/ic970302a","","","0.71073","MoKα","","0.0904","0.0567","","0.1725","0.1525","","","","1.031","1.111","1.111","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323569","11.8747","0.0002","13.88","0.0002","18.5039","0.0001","97.5001","0.0009","90.9158","0.001","106.109","0.0008","2900.64","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H67.5 Cl0.5 Cu2 N5 O8 -","- C62 H65 Cl0.5 Cu2 N5 O8 -","- C124 H130 Cl Cu4 N10 O16 -","2","1","","Daniel D. LeCloux","Synthesis and Characterization of a Novel Class of Dicopper(I) Bis(carboxylate)-Bridged Complexes","Inorganic Chemistry","1997","36","","4035","4046","10.1021/ic970302a","","","0.71073","MoKα","","0.0909","0.0497","","0.1312","0.1126","","","","1.024","1.114","1.114","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323570","22.5777","0.0003","12.3411","0.0002","23.6382","0.0004","90","","109.96","","90","","6190.76","0.17","188","2","188","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H77.5 Cl0.5 Cu2 N5 O9 -","- C66 H65 Cl0.5 Cu2 N5 O9 -","- C264 H260 Cl2 Cu8 N20 O36 -","4","1","","Daniel D. LeCloux","Synthesis and Characterization of a Novel Class of Dicopper(I) Bis(carboxylate)-Bridged Complexes","Inorganic Chemistry","1997","36","","4035","4046","10.1021/ic970302a","","","0.71073","MoKα","","0.131","0.08","","0.2497","0.2165","","","","1.042","1.164","1.164","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323571","12.475","0.002","13.0039","0.0009","15.024","0.003","93.717","0.013","94.572","0.009","98.625","0.01","2394.7","0.6","188","2","188","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H54 Cu2 N2 O9 -","- C50 H54 Cu2 N2 O9 -","- C100 H108 Cu4 N4 O18 -","2","1","","Daniel D. LeCloux","Synthesis and Characterization of a Novel Class of Dicopper(I) Bis(carboxylate)-Bridged Complexes","Inorganic Chemistry","1997","36","","4035","4046","10.1021/ic970302a","","","0.71073","MoKα","","0.057","0.0487","","0.1344","0.1278","","","","1.077","1.105","1.105","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323572","13.7573","0.0006","16.518","0.0007","17.8154","0.0007","67.624","0.001","70.598","0.001","89.087","0.001","3502.5","0.3","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H83.5 Cl1.5 Cu4 N4 O16 -","- C32 H38 Cu4 N4 O16 -","- C64 H76 Cu8 N8 O32 -","2","1","","Daniel D. LeCloux","Synthesis and Characterization of a Novel Class of Dicopper(I) Bis(carboxylate)-Bridged Complexes","Inorganic Chemistry","1997","36","","4035","4046","10.1021/ic970302a","","","0.71073","MoKα","","0.1084","0.0614","","0.1749","0.1492","","","","1.017","1.112","1.112","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323573","10.263","0.003","9.303","0.002","21.346","0.004","90","","95.81","0.02","90","","2027.6","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Ag F3 N2 O3 S -","- C16 H20 Ag F3 N2 O4 S -","- C64 H80 Ag4 F12 N8 O16 S4 -","4","1","","Lucia Carlucci; Gianfranco Ciani; Dorothea W. v. Gudenberg; Davide M. Proserpio","Self-Assembly of Infinite Double Helical and Tubular Coordination Polymers from Ag(CF3SO3) and 1,3-Bis(4-pyridyl)propane","Inorganic Chemistry","1997","36","","3812","3813","10.1021/ic970803w","","","0.71073","MoKα","","0.1196","0.0578","","0.1484","0.1385","","","","0.754","1.234","1.234","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323574","10.573","0.002","13.533","0.002","23.196","0.006","90","","90","","90","","3319","1.2","293","2","293","2","","","","","","","","7","P b n a","-P 2ac 2b","60","","","","- C14 H14 Ag F3 N2 O3 S -","- C14 H14 Ag F3 N2 O3 S -","- C112 H112 Ag8 F24 N16 O24 S8 -","8","1","","Lucia Carlucci; Gianfranco Ciani; Dorothea W. v. Gudenberg; Davide M. Proserpio","Self-Assembly of Infinite Double Helical and Tubular Coordination Polymers from Ag(CF3SO3) and 1,3-Bis(4-pyridyl)propane","Inorganic Chemistry","1997","36","","3812","3813","10.1021/ic970803w","","","0.71073","MoKα","","0.1462","0.0565","","0.1406","0.1089","","","","1.007","1.15","1.15","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323575","10.745","0.005","12.039","0.002","16.469","0.003","70.04","0.02","83.31","0.03","63.57","0.02","1791.6","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H70 Ag2 F6 N10 O6 S2 -","- C67 H56 Ag2 F6 N10 O6 S2 -","- C67 H56 Ag2 F6 N10 O6 S2 -","1","0.5","","Lucia Carlucci; Gianfranco Ciani; Dorothea W. v. Gudenberg; Davide M. Proserpio","Self-Assembly of Infinite Double Helical and Tubular Coordination Polymers from Ag(CF3SO3) and 1,3-Bis(4-pyridyl)propane","Inorganic Chemistry","1997","36","","3812","3813","10.1021/ic970803w","","","0.71073","MoKα","","","0.0965","","","0.2451","","","","","1.139","1.139","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323576","27.619","0.008","10.467","0.008","28.971","0.004","90","","102.68","0.02","90","","8171","7","293.2","","293.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H46 Cl4 Cu2 N10 O10 -","- C29 H44 Cl4 Cu2 N10 O10 -","- C232 H352 Cl32 Cu16 N80 O80 -","8","1","","Masahito Kodera; Norihisa Terasako; Toshio Kita; Yoshimitsu Tachi; Koji Kano; Mikio Yamazaki; Masayuki Koikawa; Tadashi Tokii","Synthesis, Crystal Structures, and Catalytic Activity of Dicopper(II) Complexes with Dinucleating Tetraimidazole Ligands [Cu2(RO)(mbipl)](ClO4)2 (R = Me, Et, 2-Pr; Hmbipl = 1,5-Bis[bis[(1-methyl-4-imidazolyl)methyl]amino]-3-pentanol) and [Cu2(MeO)(pbipl)](ClO4)2 (Hpbipl = 1,5-Bis[bis[(1-isopropyl-4-imidazolyl)methyl]amino]-3-pentanol)","Inorganic Chemistry","1997","36","","3861","3868","10.1021/ic961267v","","","0.7107","MoKα","","","0.0652","","","0.0888","","","","","2.727","2.727","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323577","7.864","0.002","22.465","0.004","13.797","0.003","90","","105.96","0.03","90","","2343.5","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Bi2 Cl2 Fe2 N O6 -","- C16 H17 Bi2 Cl2 Fe2 N O6 -","- C64 H68 Bi8 Cl8 Fe8 N4 O24 -","4","1","","Jeffrey R. Eveland; Jean-Yves Saillard; Kenton H. Whitmire","Halide Ion Addition to Bismuth-Containing Iron Carbonyl Compounds: Synthesis and Characterization of the Two Bridged-Butterfly Cluster Compounds [Et4N][(μ-H)Fe2(CO)6Bi2{μ-Fe(CO)4}] and [{PhCH2NMe3}{(μ-H)Fe2(CO)6Bi2(μ-Cl)2}]∞and Stabilization of Reduced-Hypervalent Bismuth Centers by Coordination to a Metal Center in [PhCH2NMe3]3[Bi3Cl4(μ-Cl)4{Fe(CO)3}]","Inorganic Chemistry","1997","36","","4387","4396","10.1021/ic9609721","","","0.71069","MoKα","","0.0558","0.0285","","0.0631","0.0556","","","","1.016","1.045","1.045","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323578","10.246","0.002","11.859","0.002","12.474","0.002","71.11","0.03","79.6","0.03","76.37","0.03","1384.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H21 Bi2 Fe3 N O10 -","- C18 H21 Bi2 Fe3 N O10 -","- C36 H42 Bi4 Fe6 N2 O20 -","2","1","","Jeffrey R. Eveland; Jean-Yves Saillard; Kenton H. Whitmire","Halide Ion Addition to Bismuth-Containing Iron Carbonyl Compounds: Synthesis and Characterization of the Two Bridged-Butterfly Cluster Compounds [Et4N][(μ-H)Fe2(CO)6Bi2{μ-Fe(CO)4}] and [{PhCH2NMe3}{(μ-H)Fe2(CO)6Bi2(μ-Cl)2}]∞and Stabilization of Reduced-Hypervalent Bismuth Centers by Coordination to a Metal Center in [PhCH2NMe3]3[Bi3Cl4(μ-Cl)4{Fe(CO)3}]","Inorganic Chemistry","1997","36","","4387","4396","10.1021/ic9609721","","","0.71073","MoKα","","0.107","0.0397","","0.0878","0.0711","","","","1.022","1.091","1.091","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323579","20.801","0.004","19.937","0.004","25.48","0.005","90","","90","","90","","10567","4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36.44 H56.6 Bi3 Cl8 Fe N3 O3.86 -","- C36.48 H56.7 Bi3 Cl8 Fe N3 O3.87 -","- C291.84 H453.6 Bi24 Cl64 Fe8 N24 O30.96 -","8","1","","Jeffrey R. Eveland; Jean-Yves Saillard; Kenton H. Whitmire","Halide Ion Addition to Bismuth-Containing Iron Carbonyl Compounds: Synthesis and Characterization of the Two Bridged-Butterfly Cluster Compounds [Et4N][(μ-H)Fe2(CO)6Bi2{μ-Fe(CO)4}] and [{PhCH2NMe3}{(μ-H)Fe2(CO)6Bi2(μ-Cl)2}]∞and Stabilization of Reduced-Hypervalent Bismuth Centers by Coordination to a Metal Center in [PhCH2NMe3]3[Bi3Cl4(μ-Cl)4{Fe(CO)3}]","Inorganic Chemistry","1997","36","","4387","4396","10.1021/ic9609721","","","0.7107","MoKα","","0.1979","0.0691","","0.1894","0.1417","","","","1.022","1.157","1.157","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323580","14.927","0.003","21.063","0.007","11.802","0.004","93.81","0.03","94.73","0.02","69.24","0.02","3455.1","1.8","21","","21","","","","","","","","","8","P -1","-P 1","2","","","","- C28 H80 Cl6 Na2 O25 P8 Ru4 S4 -","- C24 Cl6 Na2 O24 P8 Ru4 S4 -","- C48 Cl12 Na4 O48 P16 Ru8 S8 -","2","1","","Kazuko Matsumoto; Yoichi Sano","Synthesis of a μ,η2-Disulfide-Bridged Hexanuclear RuII-Na Cluster Formed from the Reductive Coupling of a μ,η1-Disulfide-Bridged Dinuclear RuIII Complex","Inorganic Chemistry","1997","36","","4405","4407","10.1021/ic961015u","","","0.7107","MoKalpha","","","0.062","","","0.076","","","","","2.01","2.01","","","","","has coordinates","289268","2024-02-02","08:58:43",""
"4323581","16.603","0.007","8.679","0.004","29.009","0.006","90","","102.08","0.02","90","","4088","3","153.2","","153.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H5 N O9 Os3 S -","- C15 H5 N O9 Os3 S -","- C120 H40 N8 O72 Os24 S8 -","8","1","","Wen-Yann Yeh; Charlotte L. Stern; Duward F. Shriver","Reactions of Triosmium Carbonyl Clusters with Thionylaniline. Crystal Structures of Os~3~(CO)~9~(μ~3~-NPh)(μ~3~-S), Os~3~(CO)~9~(μ~3~,η^2^-(PhN)~2~SO)(μ~3~-S), and Os~3~(CO)~8~(NCMe)(μ~3~-NPh)(μ~3~-S).","Inorganic Chemistry","1997","36","","4408","4414","10.1021/ic961153j","","","0.7107","MoKalpha","","","0.0356","","","0.039","","","","","2.047","2.047","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323582","9.723","0.004","15.704","0.004","18.455","0.007","113.17","0.03","102.48","0.03","89.97","0.03","2518.2","1.7","153.2","","153.2","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H10 N2 O10 Os3 S2 -","- C21 H10 N2 O10 Os3 S2 -","- C84 H40 N8 O40 Os12 S8 -","4","2","","Wen-Yann Yeh; Charlotte L. Stern; Duward F. Shriver","Reactions of Triosmium Carbonyl Clusters with Thionylaniline. Crystal Structures of Os~3~(CO)~9~(μ~3~-NPh)(μ~3~-S), Os~3~(CO)~9~(μ~3~,η^2^-(PhN)~2~SO)(μ~3~-S), and Os~3~(CO)~8~(NCMe)(μ~3~-NPh)(μ~3~-S).","Inorganic Chemistry","1997","36","","4408","4414","10.1021/ic961153j","","","0.7107","MoKalpha","","","0.0298","","","0.0255","","","","","1.312","1.312","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323583","18.792","0.003","8.856","0.003","26.21","0.009","90","","93.72","0.02","90","","4353","2","153.2","","153.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 N2 O8 Os3 S -","- C16 H8 N2 O8 Os3 S -","- C128 H64 N16 O64 Os24 S8 -","8","2","","Wen-Yann Yeh; Charlotte L. Stern; Duward F. Shriver","Reactions of Triosmium Carbonyl Clusters with Thionylaniline. Crystal Structures of Os~3~(CO)~9~(μ~3~-NPh)(μ~3~-S), Os~3~(CO)~9~(μ~3~,η^2^-(PhN)~2~SO)(μ~3~-S), and Os~3~(CO)~8~(NCMe)(μ~3~-NPh)(μ~3~-S).","Inorganic Chemistry","1997","36","","4408","4414","10.1021/ic961153j","","","0.7107","MoKalpha","","","0.0662","","","0.0627","","","","","2.477","2.477","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323584","9.0066","0.0005","11.104","0.0006","16.0091","0.0015","90","","90","","90","","1601.06","0.19","163","","163","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Cl Cu N2 O7 -","- C13 H19 Cl Cu N2 O7 -","- C52 H76 Cl4 Cu4 N8 O28 -","4","1","","Nydia D. Villanueva; Jeffrey R. Bocarsly; Joseph W. Ziller","A Trapped Intermediate in the Copper(II)-Mediated Template Synthesis of an Amino Acid-Containing Ligand","Inorganic Chemistry","1997","36","","4585","4592","10.1021/ic961409l","","","0.71073","MoKα","","0.0325","0.0265","","0.0637","0.0612","","","","1.054","1.08","1.08","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323585","7.316","0.001","10.346","0.001","15.123","0.002","103.69","0.02","93.54","0.02","100.61","0.02","1086.5","0.3","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H28 N2 Ru S4 -","- C17 H28 N2 Ru S4 -","- C34 H56 N4 Ru2 S8 -","2","1","","Wa-Hung Leung; Joyce L. C. Chim; Hongwei Hou; Tom S. M. Hun; Ian D. Williams; Wing-Tak Wong","Oxidation Reactions of Dithiocarbamate Complexes of Ruthenium(II)","Inorganic Chemistry","1997","36","","4432","4437","10.1021/ic970053q","","","0.7107","MoKalpha","","","0.0271","","","0.0349","","","","","3.056","3.056","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323586","7.347","0.002","22.227","0.002","12.891","0.002","90","","95.98","0.02","90","","2093.7","0.7","296.2","","296.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 I N2 O2 Ru S4 -","- C12 H20 I N2 O2 Ru S4 -","- C48 H80 I4 N8 O8 Ru4 S16 -","4","1","","Wa-Hung Leung; Joyce L. C. Chim; Hongwei Hou; Tom S. M. Hun; Ian D. Williams; Wing-Tak Wong","Oxidation Reactions of Dithiocarbamate Complexes of Ruthenium(II)","Inorganic Chemistry","1997","36","","4432","4437","10.1021/ic970053q","","","0.7107","MoKalpha","","","0.0315","","","0.0333","","","","","1.699","1.699","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323587","14.125","0.003","20.829","0.006","13.658","0.003","97.57","0.02","110.01","0.02","71.25","0.02","3574.3","1.6","296.2","","296.2","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H72 I6 N6 O2 Ru3 S14 -","- C34 H72 I6 N6 O2 Ru3 S14 -","- C68 H144 I12 N12 O4 Ru6 S28 -","2","1","","Wa-Hung Leung; Joyce L. C. Chim; Hongwei Hou; Tom S. M. Hun; Ian D. Williams; Wing-Tak Wong","Oxidation Reactions of Dithiocarbamate Complexes of Ruthenium(II)","Inorganic Chemistry","1997","36","","4432","4437","10.1021/ic970053q","","","0.7107","MoKalpha","","","0.0608","","","0.0569","","","","","2.945","2.945","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323588","10.38","0.001","11.322","0.001","15.31","0.001","106.84","0.02","106.87","0.02","92.63","0.02","1631.3","0.4","298.2","","298.2","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H34 N6 O4 Ru S6 -","- C24 H34 N6 O4 Ru S6 -","- C48 H68 N12 O8 Ru2 S12 -","2","1","","Wa-Hung Leung; Joyce L. C. Chim; Hongwei Hou; Tom S. M. Hun; Ian D. Williams; Wing-Tak Wong","Oxidation Reactions of Dithiocarbamate Complexes of Ruthenium(II)","Inorganic Chemistry","1997","36","","4432","4437","10.1021/ic970053q","","","0.7107","MoKalpha","","","0.0474","","","0.0886","","","","","2.969","2.969","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323589","9.879","0.004","8.128","0.002","19.46","0.005","90","","96.56","0.03","90","","1552.3","0.8","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 Cl O Pt S2 -","- C11 H4 Cl O Pt S2 -","- C44 H16 Cl4 O4 Pt4 S8 -","4","1","","Ola F. Wendt; Åke Oskarsson; Johann G. Leipoldt; Lars I. Elding","Synthesis, Structure, and Reactivity of Arylchlorobis(dialkyl sulfide)platinum(II) Complexes","Inorganic Chemistry","1997","36","","4514","4519","10.1021/ic970189o","","","0.7107","MoKalpha","","","0.03","","","0.028","","","","","1.4","1.4","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323590","16.214","0.003","10.311","0.002","28.38","0.006","90","","100.82","0.03","90","","4660.3","1.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 Cl F10 N4 O4 P Pd2 -","- C50 H26 Cl F10 N4 O4 P Pd2 -","- C200 H104 Cl4 F40 N16 O16 P4 Pd8 -","4","1","","Ester Alonso; Juan Forniés; Consuelo Fortuño; Antonio Martín; Georgina M. Rosair; Alan J. Welch","Synthesis, Molecular Structure, and Reactivity of the Tetranuclear Complex [NBu4]2[Pd4(μ-PPh2)2(μ-Cl)4(C6F5)4]. Molecular Structure of [Pd2(μ-PPh2)(C6F5)2(bipy)2]ClO4.C6H14","Inorganic Chemistry","1997","36","","4426","4431","10.1021/ic9701930","","","0.71073","MoKα","","0.0698","0.0398","","0.0875","0.0829","","","","0.846","1","1","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323591","16.729","0.006","43.671","0.013","19.564","0.007","90","","105.83","0.03","90","","13751","8","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[2-O-FeTTP]~3~^.^3n-octane","","","- C168 H159 Fe3 N12 O3 -","- C168 H105 Fe3 N12 O3 -","- C672 H420 Fe12 N48 O12 -","4","1","","Jacek Wojaczyński; Lechosław Latos-Grażyński; Marilyn M. Olmstead; Alan L. Balch","Cyclic Metalloporphyrin Trimers: 1H NMR Identification of Trimeric Heterometallic (Iron(III), Gallium(III), Manganese(III)) 2-Hydroxy-5,10,15,20-tetraphenylporphyrins and X-ray Crystal Structure of the Iron(III) 2-Hydroxy-5,10,15,20-tetra-p-tolylporphyrin Trimer 1","Inorganic Chemistry","1997","36","","4548","4554","10.1021/ic970214q","","","1.54178","CuKα","","0.2052","0.089","","0.2563","0.1848","","","","1.039","1.228","1.228","","","","","has coordinates,has disorder","179338","2020-10-21","18:00:00",""
"4323592","14.884","0.003","15.828","0.003","16.061","0.003","83.39","0.03","86.28","0.03","65.54","0.03","3420.6","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H69 Au3 F3 O14 P3 S -","- C67 H63 Au3 F3 O14 P3 S -","- C134 H126 Au6 F6 O28 P6 S2 -","2","1","","José Vicente; María-Teresa Chicote; Rita Guerrero; Peter G. Jones; M. Carmen Ramírez de Arellano","Gold(I) Complexes with N-Donor Ligands. 2.1 Reactions of Ammonium Salts with [Au(acac-κC2)(PR3)] To Give [Au(NH3)L]+, [(AuL)2(μ2-NH2)]+, [(AuL)4(μ4-N)]+, or [(AuL)3(μ3-O)]+. A New and Facile Synthesis of [Au(NH3)2]+Salts. Crystal Structure of [{AuP(C6H4OMe-4)3}3(μ3-O)]CF3SO3","Inorganic Chemistry","1997","36","","4438","4443","10.1021/ic970225j","","","0.71073","MoKα","","0.0464","0.037","","0.0869","0.0788","","","","1.043","1.036","1.036","","","","","has coordinates,has disorder","179338","2020-10-21","18:00:00",""
"4323593","11.612","0.001","10.759","0.002","14.291","0.002","90","","105.5","0.01","90","","1720.5","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 Cl3 O3 Zr -","- C12 H21 Cl3 O3 Zr -","- C48 H84 Cl12 O12 Zr4 -","4","1","","Adolphus A. H. van der Zeijden; Chris Mattheis; Roland Fröhlich; Frank Zippel","Aqua Complexes of [(2-Methoxyethyl)cyclopentadienyl]zirconium Trichloride","Inorganic Chemistry","1997","36","","4444","4450","10.1021/ic970245l","","","0.71073","MoKα","","0.0886","0.0619","","0.1756","0.1576","","","","1.042","1.089","1.089","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323594","8.297","0.001","10.097","0.001","12.883","0.001","71.12","0.01","86.6","0.01","87.45","0.01","1019.04","0.19","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H25 Cl3 O4 S2 Zr -","- C12 H25 Cl3 O4 S2 Zr -","- C24 H50 Cl6 O8 S4 Zr2 -","2","1","","Adolphus A. H. van der Zeijden; Chris Mattheis; Roland Fröhlich; Frank Zippel","Aqua Complexes of [(2-Methoxyethyl)cyclopentadienyl]zirconium Trichloride","Inorganic Chemistry","1997","36","","4444","4450","10.1021/ic970245l","","","0.71073","MoKα","","0.0992","0.0491","","0.1584","0.1453","","","","1.066","1.186","1.186","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323595","10.05","0.003","8.547","0.004","9.878","0.003","90","","95.2","0.03","90","","845","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(Dimethylamino)-2,5-disilapyrrolidine","","- C4 H14 N2 Si2 -","- C4 H14 N2 Si2 -","- C16 H56 N8 Si8 -","4","1","","Norbert W. Mitzel; Hubert Schmidbaur; David W. H. Rankin; Bruce A. Smart; Matthias Hofmann; Paul von Ragué Schleyer","Synthesis of Volatile Cyclic Silylamines and the Molecular Structures of Two 1-Aza-2,5-disilacyclopentane Derivatives","Inorganic Chemistry","1997","36","","4360","4368","10.1021/ic9703179","","","0.71073","MoKα","","0.0605","0.039","","0.0987","0.089","","","","1.029","1.075","1.075","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4323596","8.979","0.001","19.448","0.006","50.43","0.02","90","","90","","90","","8806","5","273.2","","273.2","","","","","","","","stoichiometric reaction of elements","2","C m c m","-C 2c 2","63","","","","- Na5 Sn13 -","- Na5 Sn13 -","- Na80 Sn208 -","16","1","","J. T. Vaughey; John D. Corbett","Na5Sn13: A New Zintl Phase with a Complex Network Structure Constructed from Tin Pentagons","Inorganic Chemistry","1997","36","","4316","4320","10.1021/ic9703181","","","0.7107","MoKalpha","","","0.0666","","","0.0824","","","","","2.241","2.241","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323597","9.938","0.002","9.43","0.002","7.688","0.002","114.95","0.02","111.16","0.02","90.12","0.02","599","0.3","295","","295","","","","","","","","","3","P -1","-P 1","2","","","","- O13 Re2 Sb4 -","- O13 Re2 Sb4 -","- O26 Re4 Sb8 -","2","1","","Hiroyuki Watanabe; Hideo Imoto","Preparation and Crystal Structure of (Sb4O5)(ReO4)2 with Cationic Antimony Oxide Layers","Inorganic Chemistry","1997","36","","4610","4612","10.1021/ic970395w","","","0.7107","Mo_Kα","","0.0412","0.0354","","0.0341","0.034","","","","","2.09","2.09","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323598","22.6834","0.0003","14.4315","0.0002","19.7013","0.0004","90","","97.837","0.001","90","","6389.09","0.18","188","2","188","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H66 Fe2 N8 O9 Se2 -","- C66 H66 Fe2 N8 O9 Se2 -","- C264 H264 Fe8 N32 O36 Se8 -","4","0.5","","Tadashi J. Mizoguchi; Stephen J. Lippard","(μ-Oxo)bis(μ-carboxylato)bis(2,2'-bipyridyl)bis(X)diiron(III) Complexes, X = NCS-, NCSe-, and N3-: Synthetic Models of Pseudohalide Derivatives of Carboxylate-Bridged Diiron Proteins","Inorganic Chemistry","1997","36","","4526","4533","10.1021/ic970397g","","","0.71073","MoKα","","0.091","0.0559","","0.1484","0.1321","","","","1.02","1.094","1.094","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323599","12.1645","0.0002","14.9196","0.0003","18.069","0.0003","79.688","0.001","78.611","0.001","83.453","0.001","3152.3","0.1","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H68 Cl2 Fe2 N12 O9 -","- C62 H68 Cl2 Fe2 N12 O9 -","- C124 H136 Cl4 Fe4 N24 O18 -","2","1","","Tadashi J. Mizoguchi; Stephen J. Lippard","(μ-Oxo)bis(μ-carboxylato)bis(2,2'-bipyridyl)bis(X)diiron(III) Complexes, X = NCS-, NCSe-, and N3-: Synthetic Models of Pseudohalide Derivatives of Carboxylate-Bridged Diiron Proteins","Inorganic Chemistry","1997","36","","4526","4533","10.1021/ic970397g","","","0.71073","MoKα","","0.0552","0.0392","","0.1114","0.0999","","","","1.047","1.113","1.113","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323600","19.6692","0.0002","14.3069","0.0001","22.6502","0.0003","90","","96.922","0.001","90","","6327.43","0.12","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H66 Fe2 N8 O9 S2 -","- C66 H66 Fe2 N8 O9 S2 -","- C264 H264 Fe8 N32 O36 S8 -","4","1","","Tadashi J. Mizoguchi; Stephen J. Lippard","(μ-Oxo)bis(μ-carboxylato)bis(2,2'-bipyridyl)bis(X)diiron(III) Complexes, X = NCS-, NCSe-, and N3-: Synthetic Models of Pseudohalide Derivatives of Carboxylate-Bridged Diiron Proteins","Inorganic Chemistry","1997","36","","4526","4533","10.1021/ic970397g","","","0.71073","MoKα","","0.0696","0.0443","","0.1228","0.0984","","","","1.024","1.079","1.079","","","","","has coordinates,has disorder","179339","2020-10-21","18:00:00",""
"4323601","9.61","0.004","13.463","0.005","15.568","0.005","90","","98.12","0.03","90","","1994","1.3","20","","20","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Cu N9 O6 -","- C14 H21 Cu N9 O6 -","- C56 H84 Cu4 N36 O24 -","4","1","","Hitoshi Miyasaka; Shingo Okamura; Toshio Nakashima; Naohide Matsumoto","Copper(II) Complexes of N,N'-Bis((2-substituted-imidazol-4-yl)methylene)-3,3'-diaminodi- propylamine (2-Substituent = H, Me): Δ and Λ Enantiomorphs of the Protonated Complex and Helical Structure of the Deprotonated Complex Formed by Hydrogen Bonds","Inorganic Chemistry","1997","36","","4329","4335","10.1021/ic970425v","","","0.7107","MoKalpha","","","0.049","","","0.033","","","","","4.75","4.75","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323602","9.884","0.002","15.073","0.003","15.295","0.002","90","","98.57","0.02","90","","2253.2","0.7","20","","20","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl2 Cu N7 O2 -","- C16 H25 Cl2 Cu N7 O2 -","- C64 H100 Cl8 Cu4 N28 O8 -","4","1","","Hitoshi Miyasaka; Shingo Okamura; Toshio Nakashima; Naohide Matsumoto","Copper(II) Complexes of N,N'-Bis((2-substituted-imidazol-4-yl)methylene)-3,3'-diaminodi- propylamine (2-Substituent = H, Me): Δ and Λ Enantiomorphs of the Protonated Complex and Helical Structure of the Deprotonated Complex Formed by Hydrogen Bonds","Inorganic Chemistry","1997","36","","4329","4335","10.1021/ic970425v","","","0.7107","MoKalpha","","","0.042","","","0.039","","","","","6.49","6.49","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323603","13.211","0.003","25.387","0.003","10.939","0.003","90","","90","","90","","3668.8","1.4","20","","20","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H20 Cl Cu N7 O4 -","- C14 H20 Cl Cu N7 O4 -","- C112 H160 Cl8 Cu8 N56 O32 -","8","1","","Hitoshi Miyasaka; Shingo Okamura; Toshio Nakashima; Naohide Matsumoto","Copper(II) Complexes of N,N'-Bis((2-substituted-imidazol-4-yl)methylene)-3,3'-diaminodi- propylamine (2-Substituent = H, Me): Δ and Λ Enantiomorphs of the Protonated Complex and Helical Structure of the Deprotonated Complex Formed by Hydrogen Bonds","Inorganic Chemistry","1997","36","","4329","4335","10.1021/ic970425v","","","0.7107","MoKalpha","","","0.049","","","0.038","","","","","3.3","3.3","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323604","16.554","0.004","20.609","0.004","12.423","0.003","90","","90","","90","","4238.2","1.7","20","","20","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Cl Cu N7 O4 -","- C16 H24 Cl Cu N7 O4 -","- C128 H192 Cl8 Cu8 N56 O32 -","8","1","","Hitoshi Miyasaka; Shingo Okamura; Toshio Nakashima; Naohide Matsumoto","Copper(II) Complexes of N,N'-Bis((2-substituted-imidazol-4-yl)methylene)-3,3'-diaminodi- propylamine (2-Substituent = H, Me): Δ and Λ Enantiomorphs of the Protonated Complex and Helical Structure of the Deprotonated Complex Formed by Hydrogen Bonds","Inorganic Chemistry","1997","36","","4329","4335","10.1021/ic970425v","","","0.7107","MoKalpha","","","0.039","","","0.03","","","","","2.62","2.62","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323605","10.678","0.001","10.678","0.001","52.298","0.011","90","","90","","120","","5164.1","1.3","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","tri-μ-carbonyl-hexakis-trimethylphosphane-triangulo-tricobalt","","- C21 H54 Co3 O3 P6 -","- C21 H54 Co3 O3 P6 -","- C126 H324 Co18 O18 P36 -","6","0.166667","","Hans-Friedrich Klein; Michael Mager; Andreas Schmidt; Martina Hüber; Wolfgang Haase; Ulrich Flörke; Hans-Jürgen Haupt; Roman Boca","Synthesis, Structure, and Magnetic Properties of Low-Valent Triangulo Cobalt-Hydride Clusters [XCo~3~(μ-CO)~3~(PMe~3~)~6~]","Inorganic Chemistry","1997","36","","4303","4306","10.1021/ic970431r","","","0.71073","MoKα","","0.031","0.0225","","0.0526","0.0494","","","","1.084","1.106","1.106","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323606","10.679","0.002","10.679","0.002","52.729","0.012","90","","90","","120","","5207.6","1.8","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","tri-μ-carbonyl-di-μ-hydrido-hydrido-hexakis-trimethylphosphane-triangulo- tricobalt","","- C21 H57 Co3 O3 P6 -","- C21 H56 Co3 O3 P6 -","- C126 H336 Co18 O18 P36 -","6","0.166667","","Hans-Friedrich Klein; Michael Mager; Andreas Schmidt; Martina Hüber; Wolfgang Haase; Ulrich Flörke; Hans-Jürgen Haupt; Roman Boca","Synthesis, Structure, and Magnetic Properties of Low-Valent Triangulo Cobalt-Hydride Clusters [XCo~3~(μ-CO)~3~(PMe~3~)~6~]","Inorganic Chemistry","1997","36","","4303","4306","10.1021/ic970431r","","","0.71073","MoKα","","0.0346","0.0241","","0.0571","0.0533","","","","1.046","1.07","1.07","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323607","15.992","0.002","15.992","0.002","15.992","0.002","90","","90","","90","","4089.9","0.9","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Cd20.09 Na13 Pb6.91 -","- Cd20.088 Na13 Pb6.912 -","- Cd80.352 Na52 Pb27.648 -","4","0.0833333","","Evgeny Todorov; Slavi C. Sevov","Synthesis, Characterization, and Bonding of Heteroatomic Clusters: Na13Cd20E7 (E = Pb, Sn), a Further Example of a Structure Containing Empty Icosahedra without an Element of Group 13","Inorganic Chemistry","1997","36","","4298","4302","10.1021/ic970588j","","","0.71073","MoKα","","0.0634","0.0315","","0.0588","0.0479","","","","1.129","1.119","1.119","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323608","11.535","0.002","14.032","0.003","11.247","0.003","94.7","0.01","102.3","0.02","110.31","0.02","1643.7","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H60 B2 Cl8 Mo2 N14 O6 -","- C53 H58 B2 Cl8 Mo2 N14 O6 -","- C53 H58 B2 Cl8 Mo2 N14 O6 -","1","0.5","","Ferida S. McQuillan; Hongli Chen; Thomas A. Hamor; Christopher J. Jones; Keith Paxton","Hydrogen Bonding of CHCl3 to Coordinated Nitric Oxide in a Binuclear Metallomacrocycle and the Crystal Structures of anti-[Mo(NO){HB(3,5-Me2C3HN2)3}(2,7-O2C10H6)]2.2CHCl3.CH2Cl2, syn-[Mo(NO){HB(3,5-Me2C3HN2)3}(2,7-O2C10H6)]2.0.67CHCl3.2.7H2O, and syn-[Mo(NO){HB(3,5-Me2C3HN2)3}(2,7-O2C10H6)]2.3(CH3)2CO","Inorganic Chemistry","1997","36","","4458","4464","10.1021/ic9706820","","","0.71069","MoKa","","0.0988","0.066","","0.1782","0.1588","","","","1.049","1.158","1.158","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323609","23.77","0.007","26.6","0.01","11.334","0.004","90","","99.86","0.02","90","","7060","4","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C50.67 H62.08 B2 Cl2 Mo2 N14 O8.71 -","- C50.67 H56.67 B2 Cl2.01 Mo2 N14 O8.705 -","- C202.68 H226.68 B8 Cl8.04 Mo8 N56 O34.82 -","4","1","","Ferida S. McQuillan; Hongli Chen; Thomas A. Hamor; Christopher J. Jones; Keith Paxton","Hydrogen Bonding of CHCl3 to Coordinated Nitric Oxide in a Binuclear Metallomacrocycle and the Crystal Structures of anti-[Mo(NO){HB(3,5-Me2C3HN2)3}(2,7-O2C10H6)]2.2CHCl3.CH2Cl2, syn-[Mo(NO){HB(3,5-Me2C3HN2)3}(2,7-O2C10H6)]2.0.67CHCl3.2.7H2O, and syn-[Mo(NO){HB(3,5-Me2C3HN2)3}(2,7-O2C10H6)]2.3(CH3)2CO","Inorganic Chemistry","1997","36","","4458","4464","10.1021/ic9706820","","","0.71069","MoKa","","0.0779","0.0692","","0.2439","0.2334","","","","1.039","1.085","1.085","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323610","16.929","0.003","17.465","0.004","12.739","0.002","100.06","0.01","94.93","0.02","114.13","0.01","3332.2","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H74 B2 Mo2 N14 O9 -","- C59 H74 B2 Mo2 N14 O9 -","- C118 H148 B4 Mo4 N28 O18 -","2","1","","Ferida S. McQuillan; Hongli Chen; Thomas A. Hamor; Christopher J. Jones; Keith Paxton","Hydrogen Bonding of CHCl3 to Coordinated Nitric Oxide in a Binuclear Metallomacrocycle and the Crystal Structures of anti-[Mo(NO){HB(3,5-Me2C3HN2)3}(2,7-O2C10H6)]2.2CHCl3.CH2Cl2, syn-[Mo(NO){HB(3,5-Me2C3HN2)3}(2,7-O2C10H6)]2.0.67CHCl3.2.7H2O, and syn-[Mo(NO){HB(3,5-Me2C3HN2)3}(2,7-O2C10H6)]2.3(CH3)2CO","Inorganic Chemistry","1997","36","","4458","4464","10.1021/ic9706820","","","0.71069","MoKa","","0.1322","0.0809","","0.212","0.1837","","","","1.085","1.145","1.145","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323611","7.6079","0.0006","9.172","0.0005","10.8972","0.0007","97.132","0.005","104.62","0.007","95.373","0.006","723.88","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(1,6-diammoniohexane) tetraaquahydrogen hexachlororhodate(III) dichloride","","- C12 H45 Cl8 N4 O4 Rh -","- C12 H45 Cl8 N4 O4 Rh -","- C12 H45 Cl8 N4 O4 Rh -","1","0.5","","Walter Frank; Guido J. Reiss","Alkylammonium Hexachlorometalates. 5.1 Bis(1,6-diammoniohexane) Tetraaquahydrogen(1+) Hexachlororhodate(III) Dichloride, [H~3~N-(CH~2~)~6~-NH~3~]~2~[H~9~O~4~][RhCl~6~]Cl~2~: Chain-like [H~9~O~4~]^+^ Ions Enclosed in the Cavities of a Complex Organic-Inorganic Framework","Inorganic Chemistry","1997","36","","4593","4595","10.1021/ic970337a","","","0.71073","MoKα","","0.0295","0.0277","","0.0529","0.0527","","","","2.631","2.677","2.677","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323612","13.588","0.006","11.518","0.002","12.731","0.003","90","0.02","113.54","0.02","90","0.02","1826.7","1","293","2","293","2","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","N,N'-bis(6-methyl-2-pyridinyl)-2,6-pyridinedicarboxamide","","- C19 H19 N5 O3 -","- C19 H19 N5 O3 -","- C76 H76 N20 O12 -","4","0.5","","Seth M. Redmore; Clifton E. F. Rickard; Simon J. Webb; L. James Wright","Ruthenium Complexes of a Simple Tridentate Ligand Bearing Two ""Distal"" Pyridine Bases","Inorganic Chemistry","1997","36","","4743","4748","10.1021/ic961534x","","","0.71069","MoKα","","0.0928","0.0556","","0.1381","0.1224","","","","1.039","1.177","1.177","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323613","10.482","0.005","11.349","0.008","15.71","0.004","92.55","0.03","90.06","0.03","115.22","0.03","1688.6","1.6","193","2","193","2","","","","","","","Synthetic","7","P -1","-P 1","2","","Dichloro(triphenylphosphine)[N,N'-bis(6-methyl-1-pyridinium-2-yl)- 2,6-pyridinedicarboximidato-κ^3^N]ruthenium(II)","","- C37 H32 Cl2 N5 O2 P Ru -","- C37 H32 Cl2 N5 O2 P Ru -","- C74 H64 Cl4 N10 O4 P2 Ru2 -","2","1","","Seth M. Redmore; Clifton E. F. Rickard; Simon J. Webb; L. James Wright","Ruthenium Complexes of a Simple Tridentate Ligand Bearing Two ""Distal"" Pyridine Bases","Inorganic Chemistry","1997","36","","4743","4748","10.1021/ic961534x","","","0.71069","MoKα","","0.0696","0.0395","","0.1081","0.089","","","","1.047","1.087","1.087","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323614","12.204","0.002","13.065","0.003","14.722","0.006","108.62","0.02","112.2","0.02","68.22","0.02","1973.9","1","291","2","291","2","","","","","","","Synthetic","6","P -1","-P 1","2","","(Nitrito-N)nitrosyl(triphenylphosphine)[N,N'-bis(6-methyl-2-pyridinyl)- 2,6-pyridinedicarboximidato-κ^3^N]ruthenium(II)","","- C43 H36 N7 O5 P Ru -","- C43 H36 N7 O5 P Ru -","- C86 H72 N14 O10 P2 Ru2 -","2","1","","Seth M. Redmore; Clifton E. F. Rickard; Simon J. Webb; L. James Wright","Ruthenium Complexes of a Simple Tridentate Ligand Bearing Two ""Distal"" Pyridine Bases","Inorganic Chemistry","1997","36","","4743","4748","10.1021/ic961534x","","","0.71069","MoKα","","0.0545","0.0412","","0.1214","0.1085","","","","1.077","1.106","1.106","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323615","13.6529","0.0006","13.6529","0.0006","9.7904","0.0005","90","","90","","90","","1824.95","0.15","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C44 H28 N6 O3 Ru -","- C44 H28 N6.04 O3 Ru -","- C88 H56 N12.08 O6 Ru2 -","2","0.125","","Katrina M. Miranda; Xianhui Bu; Ivan Lorković; Peter C. Ford","Synthesis and Structural Characterization of Several Ruthenium Porphyrin Nitrosyl Complexes","Inorganic Chemistry","1997","36","","4838","4848","10.1021/ic970065b","","","0.71073","MoKα","","0.0515","0.0487","","0.1557","0.1405","","","","1.304","1.306","1.306","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323616","13.5423","0.0004","13.5423","0.0004","9.715","0.0004","90","","90","","90","","1781.67","0.1","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C44 H29 N5 O2 Ru -","- C44 H29.04 N5 O2 Ru -","- C88 H58.08 N10 O4 Ru2 -","2","0.125","","Katrina M. Miranda; Xianhui Bu; Ivan Lorković; Peter C. Ford","Synthesis and Structural Characterization of Several Ruthenium Porphyrin Nitrosyl Complexes","Inorganic Chemistry","1997","36","","4838","4848","10.1021/ic970065b","","","0.71073","MoKα","","0.0414","0.0392","","0.0933","0.0922","","","","1.282","1.29","1.29","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323617","10.7687","0.0002","21.032","0.0002","8.5936","0.0002","90","","102.683","0.001","90","","1898.85","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H46 Cl2 N6 O3 Ru -","- C37 H46 Cl2 N6 O3 Ru -","- C74 H92 Cl4 N12 O6 Ru2 -","2","1","","Katrina M. Miranda; Xianhui Bu; Ivan Lorković; Peter C. Ford","Synthesis and Structural Characterization of Several Ruthenium Porphyrin Nitrosyl Complexes","Inorganic Chemistry","1997","36","","4838","4848","10.1021/ic970065b","","","0.71073","MoKα","","0.0996","0.0623","","0.1102","0.0981","","","","1.023","1.091","1.091","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323618","10.8474","0.0007","21.0021","0.0013","8.3646","0.0005","90","","103.571","0.001","90","","1852.4","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H51 N5 O3 Ru -","- C38 H50 N5 O3 Ru -","- C76 H100 N10 O6 Ru2 -","2","1","","Katrina M. Miranda; Xianhui Bu; Ivan Lorković; Peter C. Ford","Synthesis and Structural Characterization of Several Ruthenium Porphyrin Nitrosyl Complexes","Inorganic Chemistry","1997","36","","4838","4848","10.1021/ic970065b","","","0.71073","MoKα","","0.0997","0.0674","","0.1539","0.1384","","","","1.033","1.097","1.097","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323619","10.391","0.001","10.391","0.001","12.967","0.004","90","","90","","90","","1400.1","0.5","293","2","293","2","","","","","","","purple crystals were prepared by reacting mixtures of Cr~2~O~3~, Cr, SiO~2~ and the respective alkali halide in evacuated silica ampoules at approximately 1350 \%C for two days.","5","I 4/m m m","-I 4 2","139","","dodeca-Chromium(II)-potassiumbromidetetradisilicate","","- Br2 Cr24 K2 O56 Si16 -","- Br2 Cr24 K2 O56 Si16 -","- Br2 Cr24 K2 O56 Si16 -","1","0.03125","","Anita Schmidt; Robert Glaum","Cr~3~Si~2~O~7~.1/4MX (MX = NaCl, NaBr, KCl, KBr): A Cage Structure Built from [Cr^II^O~4~] and [Si~2~O~7~] Units 1","Inorganic Chemistry","1997","36","","4883","4887","10.1021/ic9700718","","","0.71073","MoKα","","0.0679","0.0596","","0.0871","0.0854","","","","1.462","1.51","1.51","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323620","10.254","0.002","10.254","0.002","12.96","0.004","90","","90","","90","","1362.7","0.6","293","2","293","2","","","","","","","Purple crystals were prepared by reacting mixtures of Cr~2~O~3~, Cr, SiO~2~ and the respective alkali halide in evacuated silica ampoules at approximately 1350 \%C for two days.","5","I 4/m m m","-I 4 2","139","","dodeca-Chromium(II)-sodiumchloridetetradisilicate","","- Cl2 Cr24 Na2 O56 Si16 -","- Cl2 Cr24 Na2 O56 Si16 -","- Cl2 Cr24 Na2 O56 Si16 -","1","0.03125","","Anita Schmidt; Robert Glaum","Cr~3~Si~2~O~7~.1/4MX (MX = NaCl, NaBr, KCl, KBr): A Cage Structure Built from [Cr^II^O~4~] and [Si~2~O~7~] Units 1","Inorganic Chemistry","1997","36","","4883","4887","10.1021/ic9700718","","","0.71073","MoKα","","0.0827","0.0295","","0.0759","0.056","","","","1.21","1.127","1.127","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323621","10.2596","0.0007","10.2596","0.0007","12.969","0.003","90","","90","","90","","1365.1","0.3","293","2","293","2","","","","","","","purple crystals were prepared by reacting mixtures of Cr~2~O~3~, Cr, SiO~2~ and the respective alkali halide in evacuated silica ampoules at approximately 1350 \%C for two days.","5","I 4/m m m","-I 4 2","139","","dodeca-Chromium(II)-sodiumbromidetetradisilicate","","- Br2 Cr24 Na2 O56 Si16 -","- Br2 Cr24 Na2 O56 Si16 -","- Br2 Cr24 Na2 O56 Si16 -","1","0.03125","","Anita Schmidt; Robert Glaum","Cr~3~Si~2~O~7~.1/4MX (MX = NaCl, NaBr, KCl, KBr): A Cage Structure Built from [Cr^II^O~4~] and [Si~2~O~7~] Units 1","Inorganic Chemistry","1997","36","","4883","4887","10.1021/ic9700718","","","0.71073","MoKα","","0.0247","0.0247","","0.0551","0.0551","","","","1.427","1.427","1.427","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323622","10.3851","0.0011","10.3851","0.0011","12.975","0.002","90","","90","","90","","1399.4","0.3","293","2","293","2","","","","","","","purple crystals were prepared by reacting mixtures of Cr~2~O~3~, Cr, SiO~2~ and the respective alkali halide in evacuated silica ampoules at approximately 1350 \%C for two days.","5","I 4/m m m","-I 4 2","139","","dodeca-Chromium(II)-potassiumchloridetetradisilicate","","- Cl2 Cr24 K2 O56 Si16 -","- Cl2 Cr24 K2 O56 Si16 -","- Cl2 Cr24 K2 O56 Si16 -","1","0.03125","","Anita Schmidt; Robert Glaum","Cr~3~Si~2~O~7~.1/4MX (MX = NaCl, NaBr, KCl, KBr): A Cage Structure Built from [Cr^II^O~4~] and [Si~2~O~7~] Units 1","Inorganic Chemistry","1997","36","","4883","4887","10.1021/ic9700718","","","0.71073","MoKα","","0.0375","0.0373","","0.0755","0.0754","","","","1.515","1.516","1.516","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323623","22.199","0.004","17.227","0.003","21.109","0.004","90","","95.18","0.02","90","","8040","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[3]-pseudorotaxane Cu complex","","","- C42 H41 Cu F6 N4 O6 P -","- C42 H41 Cu F6 N4 O6 P -","- C336 H328 Cu8 F48 N32 O48 P8 -","8","1","","Hanadi Sleiman; Paul N. W. Baxter; Jean-Marie Lehn; Karri Airola; Kari Rissanen","Multicomponent Self-Assembly: Generation of Rigid-Rack Multimetallic Pseudorotaxanes","Inorganic Chemistry","1997","36","","4734","4742","10.1021/ic9702227","","","0.71073","MoKα","","0.1953","0.07","","0.2273","0.1624","","","","1.014","1.137","1.137","","","","","has coordinates,has disorder","179339","2020-10-21","18:00:00",""
"4323624","13.199","0.002","25.264","0.001","31.072","0.004","90","","90","","90","","10361","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[3]-pseudorotaxane complex","","","- C102 H94 Cu2 F12 N9 O14 P2 -","- C102 H94 Cu2 F12 N9 O14 P2 -","- C408 H376 Cu8 F48 N36 O56 P8 -","4","1","","Hanadi Sleiman; Paul N. W. Baxter; Jean-Marie Lehn; Karri Airola; Kari Rissanen","Multicomponent Self-Assembly: Generation of Rigid-Rack Multimetallic Pseudorotaxanes","Inorganic Chemistry","1997","36","","4734","4742","10.1021/ic9702227","","","0.71073","MoKα","","0.1527","0.0964","","0.278","0.2422","","","","1.759","1.982","1.982","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323625","17.7189","0.0004","17.4806","0.0003","25.7123","0.0006","90","","90","","90","","7964.1","0.3","148","2","148","2","","","","","","","Dichloromethane/Acetonitrile","6","P b c n","-P 2n 2ab","60","","Bis[hydrotris(3-cumenyl-5-methyl-pyrazol-1-yl)borato]cobalt(II)","","- C81.5 H96 B2 Cl5 Co N13 -","- C81.5 H96 B2 Cl5 Co N12.5 -","- C326 H384 B8 Cl20 Co4 N50 -","4","0.5","","Michael Ruf; Bruce C. Noll; Markus D. Groner; Gordon T. Yee; Cortlandt G. Pierpont","Pocket Semiquinonate Complexes of Cobalt(II), Copper(II), and Zinc(II) Prepared with the Hydrotris(cumenylmethylpyrazolyl)borate Ligand","Inorganic Chemistry","1997","36","","4860","4865","10.1021/ic970244t","","","0.71073","MoKα","","0.066","0.0538","","0.1577","0.1438","","","","1.05","1.062","1.062","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323626","14.261","0.003","18.76","0.007","21.71","0.004","80.049","0.012","89.853","0.008","85.542","0.012","5703","3","145","2","145","2","","","","","","","Dichloromethane/Methanol","7","P -1","-P 1","2","","Hydrotris(3-cumenyl-5-methyl-pyrazol-1-yl)borato -zinc-3,5-di-tert.butyl-semiquinone","","- C110 H140 B2 Cl8 N12 O4 Zn2 -","- C109.71 H139.26 B2 Cl7.8281 N12 O4 Zn2 -","- C219.42 H278.52 B4 Cl15.6562 N24 O8 Zn4 -","2","1","","Michael Ruf; Bruce C. Noll; Markus D. Groner; Gordon T. Yee; Cortlandt G. Pierpont","Pocket Semiquinonate Complexes of Cobalt(II), Copper(II), and Zinc(II) Prepared with the Hydrotris(cumenylmethylpyrazolyl)borate Ligand","Inorganic Chemistry","1997","36","","4860","4865","10.1021/ic970244t","","","0.71073","MoKα","","0.0816","0.0644","","0.1739","0.1567","","","","1.081","1.1","1.1","","","","","has coordinates,has disorder","179339","2020-10-21","18:00:00",""
"4323627","19.3081","0.0003","13.0291","0.0002","21.4783","0.0004","90","","102.842","0.001","90","","5268.08","0.15","293","2","293","2","","","","","","","Dichloromethane/Methanol","6","P 1 21/c 1","-P 2ybc","14","","Hydrotris(3-cumenyl-5-methyl-pyrazol-1-yl)- borato-copper(II)-3,5-di-tert-butylsemiquinone","","- C53 H66 B Cu N6 O2 -","- C53 H66 B Cu N6 O2 -","- C212 H264 B4 Cu4 N24 O8 -","4","1","","Michael Ruf; Bruce C. Noll; Markus D. Groner; Gordon T. Yee; Cortlandt G. Pierpont","Pocket Semiquinonate Complexes of Cobalt(II), Copper(II), and Zinc(II) Prepared with the Hydrotris(cumenylmethylpyrazolyl)borate Ligand","Inorganic Chemistry","1997","36","","4860","4865","10.1021/ic970244t","","","0.71073","MoKα","","0.1548","0.0707","","0.2146","0.1568","","","","1.043","1.127","1.127","","","","","has coordinates,has disorder","179339","2020-10-21","18:00:00",""
"4323628","14.4631","0.0002","18.5438","0.0003","21.6142","0.0002","79.843","0.001","90.09","0.001","84.99","0.001","5683.45","0.13","146","2","146","2","","","","","","","Dichloromethane/Methanol","7","P -1","-P 1","2","","Hydrotris(3-cumenyl-5-methyl-pyrazol-1-yl)borato- cobalt-3,5-di-tert-butyl-semiquinone","","- C55 H70 B Cl4 Co N6 O2 -","- C55 H70 B Cl4 Co N6 O2 -","- C220 H280 B4 Cl16 Co4 N24 O8 -","4","2","","Michael Ruf; Bruce C. Noll; Markus D. Groner; Gordon T. Yee; Cortlandt G. Pierpont","Pocket Semiquinonate Complexes of Cobalt(II), Copper(II), and Zinc(II) Prepared with the Hydrotris(cumenylmethylpyrazolyl)borate Ligand","Inorganic Chemistry","1997","36","","4860","4865","10.1021/ic970244t","","","0.71073","MoKα","","0.1304","0.072","","0.2011","0.1729","","","","0.915","1.144","1.144","","","","","has coordinates,has disorder","179339","2020-10-21","18:00:00",""
"4323629","8.362","0.002","14.426","0.003","24.442","0.006","90","","92.28","0.02","90","","2946.1","1.2","293","2","293","2","","","","","","","Laboratoire de Chimie de Coordination, Toulouse, France","7","P 1 21/n 1","-P 2yn","14","(CuL)2Mn.2dmso","bis[N-(4-methyl-6-oxo-3-azahepta-4-enyl)-oxamato(3-)-kappa4N,N',O,O1- copper(II)]-kappa4O1', O2-manganese(II) (dimethylsulfoxide)2","","- C22 H34 Cu2 Mn N4 O10 S2 -","- C22 H34 Cu2 Mn N4 O10 S2 -","- C88 H136 Cu8 Mn4 N16 O40 S8 -","4","1","","Jean-Pierre Costes; Jean-Pierre Laurent; Jose Maria Moreno Sanchez; Jose Suarez Varela; Markku Ahlgren; Markku Sundberg","Magnetic Properties of a Series of Trinuclear Complexes (CuL)2Mn.xB (L Representing the Deprotonated Form of N-(4-Methyl-6-oxo-3-azahept-4-enyl)oxamic Acid and B Representing Respectively H2O (x= 5, 4.5, 3, 1), (CH3)2SO (x= 2), and C5H5N (x= 4)). Crystal and Molecular Structure of (CuL)2Mn.2(CH3)2SO","Inorganic Chemistry","1997","36","","4641","4646","10.1021/ic970372h","","","0.71073","MoKα","","0.121","0.0589","","0.1393","0.1106","","","","1.036","1.112","1.112","","","","","has coordinates,has disorder","179339","2020-10-21","18:00:00",""
"4323630","11.417","0.002","12.371","0.004","12.628","0.002","64.3","0.02","77.18","0.03","77.67","0.02","1553","0.7","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H66 Cl2 Fe N10 Na O8 -","- C68 H66 Cl2 Fe N10 Na O8 -","- C68 H66 Cl2 Fe N10 Na O8 -","1","0.5","","Mary K. Ellison; Habib Nasri; Y.-M. Xia; Jean-Claude Marchon; Charles E. Schulz; Peter G. Debrunner; W. Robert Scheidt","Characterization of the Bis(azido)(meso-tetraphenylporphinato)ferrate(III) Anion. An Unusual Spin-Equilibrium System","Inorganic Chemistry","1997","36","","4804","4811","10.1021/ic970527l","","","0.71073","MoKα","","0.0491","0.0417","","0.1082","0.1021","","","","1.111","1.119","1.119","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323631","11.7652","0.0012","12.6488","0.0006","12.8608","0.0013","62.02","0.02","75.996","0.007","75.465","0.009","1618.7","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H66 Cl2 Fe N10 Na O8 -","- C68 H66 Cl2 Fe N10 Na O8 -","- C68 H66 Cl2 Fe N10 Na O8 -","1","0.5","","Mary K. Ellison; Habib Nasri; Y.-M. Xia; Jean-Claude Marchon; Charles E. Schulz; Peter G. Debrunner; W. Robert Scheidt","Characterization of the Bis(azido)(meso-tetraphenylporphinato)ferrate(III) Anion. An Unusual Spin-Equilibrium System","Inorganic Chemistry","1997","36","","4804","4811","10.1021/ic970527l","","","0.71073","MoKα","","0.0933","0.0688","","0.1983","0.175","","","","1.017","1.043","1.043","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323632","18.824","0.005","13.604","0.002","9.657","0.002","90","","90","","90","","2473","0.9","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","strontium hydrogenundecaphosphide-ammonia(1/9)","","- H28 N9 P11 Sr -","- H28 N9 P11 Sr -","- H112 N36 P44 Sr4 -","4","1","","Nikolaus Korber; Jörg Daniels","A Hydrogen Polyphosphide Salt of the First Homoleptic Strontium Ammine Complex: Synthesis and Structure Analysis of [Sr(NH~3~)~8~]HP~11~.NH~3~","Inorganic Chemistry","1997","36","","4906","4908","10.1021/ic970664i","","","0.71073","MoKα","","0.0719","0.052","","0.1503","0.1293","","","","1.077","1.058","1.058","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323633","14.478","0.0008","9.4442","0.0005","12.5055","0.0007","90","","100.907","0.004","90","","1679.03","0.16","250","","250","","","","","","","","see paper","6","C 1 2/c 1","-C 2yc","15","","Bisaqua-[N,N'-dimethyl-N,N'-bis(mercaptoethyl)propylenediamine]nickel(II) dihydrate","","- C8 H26 N2 Ni O10 S2 -","- C8 H26 N2 Ni O10 S2 -","- C32 H104 N8 Ni4 O40 S8 -","4","0.5","","Richard K. Henderson; Elisabeth Bouwman; Anthony L. Spek; Jan Reedijk","A Unique Mononuclear Nickel Disulfonato Complex Obtained by Oxidation of a Mononuclear Nickel Dithiolate Complex","Inorganic Chemistry","1997","36","","4616","4617","10.1021/ic9707218","","","0.71073","MoKα","","0.026","0.026","","0.066","0.066","","","","1.071","","","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323634","9.426","0.001","9.909","0.001","41.875","0.001","90","","90","","90","","3911.2","0.6","24","","24","","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C26 H22 Fe2 -","- C26 H22 Fe2 -","- C208 H176 Fe16 -","8","1","","Cendrine Patoux; Christophe Coudret; Jean-Pierre Launay; Christian Joachim; André Gourdon","Topological Effects on Intramolecular Electron Transfer via Quantum Interference","Inorganic Chemistry","1997","36","","5037","5049","10.1021/ic970013m","","","0.71069","MoKα","","","0.0594","","","0.0517","","","","","0.9716","0.9716","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323635","14.92","0.01","8.022","0.003","17.4","0.01","90","","97.59","0.05","90","","2064","2","293","","24","","","","","","","","?","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Cl Fe2 -","- C26 H21 Cl Fe2 -","- C104 H84 Cl4 Fe8 -","4","1","","Cendrine Patoux; Christophe Coudret; Jean-Pierre Launay; Christian Joachim; André Gourdon","Topological Effects on Intramolecular Electron Transfer via Quantum Interference","Inorganic Chemistry","1997","36","","5037","5049","10.1021/ic970013m","","","0.71069","MoKα","","","0.0366","","","0.0394","","","","","1.6395","1.6395","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323636","12.702","0.001","13.389","0.001","14.33","0.001","109.5","0.01","90.77","0.01","113.37","0.01","2078.6","0.4","293","","24","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H42 Fe4 N2 -","- C54 H42 Fe4 N2 -","- C108 H84 Fe8 N4 -","2","1","","Cendrine Patoux; Christophe Coudret; Jean-Pierre Launay; Christian Joachim; André Gourdon","Topological Effects on Intramolecular Electron Transfer via Quantum Interference","Inorganic Chemistry","1997","36","","5037","5049","10.1021/ic970013m","","","0.71069","MoKα","","","0.0417","","","0.047","","","","","0.6345","0.6345","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323637","8.408","0.002","10.581","0.003","7.927","0.002","89.45","0.02","77.44","0.02","69.75","0.02","644.1","0.3","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 Cu N6 O2 S2 -","- C8 H8 Cu N6 O2 S2 -","- C16 H16 Cu2 N12 O4 S4 -","2","1","","Jorge A. R. Navarro; M. Angustias Romero; Juan M. Salas; Miguel Quirós; Edward R. T. Tiekink","First Example of Equatorial-Equatorial Disposition of End-to-End Thiocyanate Bridges in a Polynuclear Copper(II) Complex and Its Relation to the Very Efficient Transmission of the Magnetic Interaction","Inorganic Chemistry","1997","36","","4988","4991","10.1021/ic970083t","","","0.7107","MoKalpha","","","0.0326","","","0.036","","","","","1.621","1.621","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323638","11.045","0.001","13.429","0.004","9.611","0.001","100","0.01","114.334","0.008","81","0.01","1273.4","0.4","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H11 N2 O3 S2 V -","- C10 H11 N2 O3 S2 V -","- C40 H44 N8 O12 S8 V4 -","4","2","","Subodh Kanti Dutta; Sujit Baran Kumar; Sudeep Bhattacharyya; Edward R. T. Tiekink; Muktimoy Chaudhury","Intramolecular Electron Transfer in (BzImH)[(LOV)2O] (H2L = S-Methyl 3-((2-Hydroxyphenyl)methyl)dithiocarbazate): A Novel μ-Oxo Dinuclear Oxovanadium(IV/V) Compound with a Trapped-Valence (V2O3)3+ Core","Inorganic Chemistry","1997","36","","4954","4960","10.1021/ic970113s","","","0.7107","MoKalpha","","","0.039","","","0.043","","","","","2.81","2.81","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323639","10.1","0.01","20.594","0.009","14.679","0.008","90","","95.28","0.06","90","","3040","4","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N6 O5 S4 V2 -","- C25 H23 N6 O5 S4 V2 -","- C100 H92 N24 O20 S16 V8 -","4","1","","Subodh Kanti Dutta; Sujit Baran Kumar; Sudeep Bhattacharyya; Edward R. T. Tiekink; Muktimoy Chaudhury","Intramolecular Electron Transfer in (BzImH)[(LOV)2O] (H2L = S-Methyl 3-((2-Hydroxyphenyl)methyl)dithiocarbazate): A Novel μ-Oxo Dinuclear Oxovanadium(IV/V) Compound with a Trapped-Valence (V2O3)3+ Core","Inorganic Chemistry","1997","36","","4954","4960","10.1021/ic970113s","","","0.7107","MoKalpha","","","0.0724","","","0.066","","","","","2.46","2.46","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323640","12.888","0.002","12.8881","","42.927","0.002","90","","90","","90","","7130.3","1.2","296.2","","296.2","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C54 H55 Fe2 N36 Ni3 O7 -","- C54 H48 Fe2 N36 Ni2.5 O6.5 -","- C216 H192 Fe8 N144 Ni10 O26 -","4","0.5","","Kenneth Van Langenberg; Stuart R. Batten; Kevin J. Berry; David C. R. Hockless; Boujemaa Moubaraki; Keith S. Murray","Structure and Magnetism of a Bimetallic Pentanuclear Cluster [(Ni(bpm)2)3(Fe(CN)6)2].7H2O (bpm = Bis(1-pyrazolyl)methane)). The Role of the Hydrogen-Bonded 7H2O ""Cluster"" in Long-Range Magnetic Ordering","Inorganic Chemistry","1997","36","","5006","5015","10.1021/ic970160k","","","1.5418","CuKα","","0.1715","0.0468","","0.0517","0.038","","","","1.304","1.549","1.549","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323641","14.056","0.003","24.556","0.004","19.11","0.003","90","","111","0.02","90","","6158","2","143","2","143","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H94 Au2 Cl N O4 P3 -","- C63 H84 Au2 Cl N O4 P3 -","- C252 H336 Au8 Cl4 N4 O16 P12 -","4","1","","José Vicente; María-Teresa Chicote; María-Cristina Lagunas; Peter G. Jones; Birte Ahrens","Restricted Rotation around the P-C Bond in Metalated Phosphonium Salts: A Variable-Temperature 1H NMR Study. X-ray Crystal Structures of [{AuP(C6H11)3}2{μ-C(PTo3)(py-2)}]ClO4 and [(AuPPh3)2{μ-{C(PPh3)(py-2)}(AuPPh3)}](CF3SO3)2","Inorganic Chemistry","1997","36","","4938","4944","10.1021/ic970367d","","","0.71073","MoKα","","0.065","0.0422","","0.0943","0.0789","","","","1.065","1.069","1.069","","","","","has coordinates,has disorder","179339","2020-10-21","18:00:00",""
"4323642","17.232","0.006","25.8","0.007","18.005","0.007","90","","96.77","0.03","90","","7949","5","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C82 H68 Au3 Cl4 F6 N O6 P4 S2 -","- C82 H68 Au3 Cl4 F6 N O6 P4 S2 -","- C328 H272 Au12 Cl16 F24 N4 O24 P16 S8 -","4","1","","José Vicente; María-Teresa Chicote; María-Cristina Lagunas; Peter G. Jones; Birte Ahrens","Restricted Rotation around the P-C Bond in Metalated Phosphonium Salts: A Variable-Temperature 1H NMR Study. X-ray Crystal Structures of [{AuP(C6H11)3}2{μ-C(PTo3)(py-2)}]ClO4 and [(AuPPh3)2{μ-{C(PPh3)(py-2)}(AuPPh3)}](CF3SO3)2","Inorganic Chemistry","1997","36","","4938","4944","10.1021/ic970367d","","","0.71073","MoKα","","0.1217","0.0524","","0.1584","0.1138","","","","1.082","1.029","1.029","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323643","9.08","0.002","9.295","0.002","13.086","0.002","105.64","0.01","105.3","0.01","94.91","0.02","1011.1","0.4","298","2","293","2","","","","","","","(PPh3)3CuCl and 4,4'-bipyridine","6","P -1","-P 1","2","(Triphenylphosphine)(4,4'-bipyridine)copper(I)chloride","(Triphenylphosphine)(4,4'-bipyridine)copper(I)chloride","","- C23 H19 Cl Cu N P -","- C23 Cl Cu N P -","- C46 Cl2 Cu2 N2 P2 -","2","1","","Jian Lu; Gerardo Crisci; Tianyan Niu; Allan J. Jacobson","A Polymeric Structure Containing Cu2Cl2 Units Bridged by 4,4'-Bipyridine: (PPh3)2Cu2(μ-Cl)2(μ-4,4'-bipyridine)","Inorganic Chemistry","1997","36","","5140","5141","10.1021/ic9705507","","","0.71073","MoKα","","0.0514","0.046","","0.1516","0.1475","","","","1.246","1.29","1.29","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323644","15.551","0.0009","15.551","0.0009","48.938","0.003","90","","90","","90","","11834.9","1.2","298","","298","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C50 H50 Cl2 Cu4 N8 O18 -","- C50 H56 Cl2 Cu4 N8 O18 -","- C400 H448 Cl16 Cu32 N64 O144 -","8","0.25","","Vasilis Tangoulis; Catherine P. Raptopoulou; Sofia Paschalidou; Alexandros E. Tsohos; Evangelos G. Bakalbassis; Aris Terzis; Spyros P. Perlepes","The Case of a Cu4 Rhombus in Molecular Magnetism: Preparation, Crystal Structure, and Magnetic Properties of [Cu4(dpk.CH3O)4(CH3O)2](ClO4)2 (dpk.CH3OH = Monomethylated Diol of Di-2-pyridyl Ketone), an Example of a Cluster Allowing the Determination of All Its Exchange Parameters, Ranging from Very Strong to Very Weak","Inorganic Chemistry","1997","36","","5270","5277","10.1021/ic970332d","","","0.7107","MoKα","","0.0915","0.0581","","0.175","0.1453","","","","1.16","1.225","1.225","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323645","12.9235","0.0014","12.9692","0.0015","9.6551","0.0013","90","","92.777","0.004","90","","1616.4","0.3","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C26 H32 Cl2 Cu N4 O14 -","- C26 H32 Cl2 Cu N4 O14 -","- C52 H64 Cl4 Cu2 N8 O28 -","2","0.5","","Vasilis Tangoulis; Catherine P. Raptopoulou; Sofia Paschalidou; Alexandros E. Tsohos; Evangelos G. Bakalbassis; Aris Terzis; Spyros P. Perlepes","The Case of a Cu4 Rhombus in Molecular Magnetism: Preparation, Crystal Structure, and Magnetic Properties of [Cu4(dpk.CH3O)4(CH3O)2](ClO4)2 (dpk.CH3OH = Monomethylated Diol of Di-2-pyridyl Ketone), an Example of a Cluster Allowing the Determination of All Its Exchange Parameters, Ranging from Very Strong to Very Weak","Inorganic Chemistry","1997","36","","5270","5277","10.1021/ic970332d","","","0.7107","MoKα","","0.0882","0.0534","","0.1784","0.1405","","","","1.116","1.113","1.113","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323646","10.582","0.005","13.997","0.004","21.647","0.007","90","","93.67","0.04","90","","3200","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 N4 Sn3 -","- C28 H46 N4 Sn3 -","- C112 H184 N16 Sn12 -","4","1","","Robert E. Allan; Michael A. Beswick; Georgina R. Coggan; Paul R. Raithby; Andrew E. H. Wheatley; Dominic S. Wright","Syntheses and Structures of [Sn{NR}2{Sn(μ-NMe2)}2]: Model Intermediates in the Formation of Imido Group 14 Cages and Rings [R = 2,6-Pri2C6H3(Dipp), 2,4,6-Me3C6H2(Mes)]","Inorganic Chemistry","1997","36","","5202","5205","10.1021/ic970336i","","","0.71069","MoKα","","0.098","0.0418","","0.1457","0.0939","","","","1.03","1.025","1.025","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323647","15.442","0.004","19.919","0.006","15.201","0.005","103.72","0.03","100.36","0.02","69.51","0.02","4231","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C73 H110 N12 Sn9 -","- C73 H110 N12 Sn9 -","- C146 H220 N24 Sn18 -","2","1","","Robert E. Allan; Michael A. Beswick; Georgina R. Coggan; Paul R. Raithby; Andrew E. H. Wheatley; Dominic S. Wright","Syntheses and Structures of [Sn{NR}2{Sn(μ-NMe2)}2]: Model Intermediates in the Formation of Imido Group 14 Cages and Rings [R = 2,6-Pri2C6H3(Dipp), 2,4,6-Me3C6H2(Mes)]","Inorganic Chemistry","1997","36","","5202","5205","10.1021/ic970336i","","","0.71069","MoKα","","0.1255","0.0584","","0.1549","0.1027","","","","1.023","1.073","1.073","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323648","17.01","0.004","17.524","0.003","22.671","0.005","90","","90","","90","","6758","2","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Cs12 H30 O57 V18 -","- Cs12 O57 V18 -","- Cs48 O228 V72 -","4","0.5","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.1391","0.0933","","0.2504","0.2074","","","","1.227","1.367","1.367","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323649","12.632","0.002","38.984","0.006","12.75","0.001","90","","97.46","0.01","90","","6225.5","1.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H34 K12 O59 V18 -","- K13 O56.99 V18 -","- K52 O227.96 V72 -","4","1","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.0926","0.0616","","0.1903","0.1597","","","","1.071","1.158","1.158","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323650","13.245","0.006","14.723","0.007","16.942","0.008","83.66","0.04","89.72","0.04","82.99","0.04","3259","3","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- H40 O62 Rb12 V18 -","- O62 Rb12 V18 -","- O124 Rb24 V36 -","2","1","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.133","0.0791","","0.2385","0.1842","","","","1.035","1.144","1.144","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323651","13.317","0.002","13.317","0.002","36.435","0.01","90","","90","","90","","6461","2","203","2","203","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- H49 K9 N8 O57 V18 -","- K9 N8 O57 V18 -","- K36 N32 O228 V72 -","4","0.25","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.0872","0.0646","","0.2196","0.1846","","","","1.403","1.467","1.467","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323652","12.398","0.002","13.075","0.003","18.682","0.004","89.61","0.03","84.51","0.03","74.13","0.03","2899","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Cl H36 K11 N4 O55 V18 -","- Cl K11 N4 O55 V18 -","- Cl2 K22 N8 O110 V36 -","2","1","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.0905","0.0742","","0.2436","0.2182","","","","1.408","1.454","1.454","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323653","13.201","0.002","13.201","0.002","36.491","0.007","90","","90","","90","","6359.2","1.8","198","2","198","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- Br H48 K9 N8 O56 V18 -","- Br K9 N5.6 O56 V18 -","- Br4 K36 N22.4 O224 V72 -","4","0.25","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.134","0.0751","","0.2461","0.1919","","","","1.097","1.198","1.198","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323654","13.179","0.003","13.179","0.003","36.597","0.011","90","","90","","90","","6356","3","198","2","198","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- H48 I K9 N8 O56 V18 -","- I K9 N5.2 O56 V18 -","- I4 K36 N20.8 O224 V72 -","4","0.25","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.0918","0.0648","","0.2249","0.1829","","","","1.164","1.23","1.23","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323655","12.464","0.005","13.104","0.006","18.795","0.009","89.47","0.04","83.85","0.03","73.94","0.03","2932","2","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- Br H31 K10 N O55 V18 -","- Br K10 N O55 V18 -","- Br2 K20 N2 O110 V36 -","2","1","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.0843","0.0632","","0.2192","0.1946","","","","1.507","1.595","1.595","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323656","13.206","0.005","13.206","0.005","36.519","0.021","90","","90","","90","","6369","5","198","2","198","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- H48 K9 N9 O58 V18 -","- K9 N9 O58 V18 -","- K36 N36 O232 V72 -","4","0.25","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.1517","0.0894","","0.2634","0.2136","","","","1.281","1.423","1.423","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323657","17.09","0.004","17.443","0.004","22.697","0.005","90","","90","","90","","6766","3","293","2","294","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Cs11 H27 O54 S V18 -","- Cs11 O54 S V18 -","- Cs44 O216 S4 V72 -","4","0.5","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.1172","0.0722","","0.2084","0.1779","","","","1.132","1.24","1.24","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323658","22.376","0.005","12.968","0.003","23.333","0.005","90","","111.538","0.015","90","","6298","3","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Br Cs9 H26 O54 V18 -","- Br Cs9 O54 V18 -","- Br4 Cs36 O216 V72 -","4","0.5","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.1131","0.0831","","0.2374","0.2083","","","","1.502","1.618","1.618","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323659","12.515","0.002","13.07","0.002","18.872","0.008","88.65","","83.72","","73.57","","2943","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Br H34 K10 O58 V18 -","- Br K10.5 O57 V18 -","- Br2 K21 O114 V36 -","2","1","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.0997","0.0734","","0.2382","0.1925","","","","1.409","1.537","1.537","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323660","22.391","0.005","12.96","0.002","23.352","0.005","90","","111.409","0.014","90","","6309","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cs9 H26 I O54 V18 -","- Cs9 I O54 V18 -","- Cs36 I4 O216 V72 -","4","0.5","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.0769","0.0561","","0.1905","0.1636","","","","1.179","1.276","1.276","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323661","12.531","0.004","13.074","0.004","18.907","0.008","88.23","0.03","83.4","0.03","73.42","0.03","2949.1","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H33 I K10 O58 V18 -","- I K10 O57 V18 -","- I2 K20 O114 V36 -","2","1","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.0722","0.063","","0.2118","0.197","","","","1.601","1.684","1.684","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323662","12.6","0.003","13.06","0.003","18.728","0.004","88.29","0.03","83.55","0.03","73.4","0.03","2934.7","1.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C H32 K10 O59 V18 -","- C K10 O59 V18 -","- C2 K20 O118 V36 -","2","1","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.1108","0.0733","","0.2056","0.1752","","","","1.453","1.584","1.584","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323663","13.392","0.009","23.036","0.006","26.36","0.005","90","","90.28","0.04","90","","8132","6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H100 I N5 O42 V18 -","- C40 H60 I N5 O42 V18 -","- C160 H240 I4 N20 O168 V72 -","4","1","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71073","MoKα","","0.1253","0.0769","","0.2883","0.2128","","","","1.426","1.587","1.587","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323664","20.488","0.009","15.073","0.007","18.936","0.008","90","","97.64","0.03","90","","5796","4","140","2","140","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C0 H49 Na6 O67 V19 -","- Na6 O67 V19 -","- Na24 O268 V76 -","4","1","","Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann","Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies","Inorganic Chemistry","1997","36","","5239","5250","10.1021/ic9703641","","","0.71069","MoKα","","0.0923","0.0747","","0.2147","0.1927","","","","1.38","1.462","1.462","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323665","8.671","0.002","9.867","0.002","12.359","0.003","81.82","0.02","74.45","0.03","70.56","0.02","959","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Au2 Cl6 Fe P2 -","- C36 H32 Au2 Cl6 Fe P2 -","- C36 H32 Au2 Cl6 Fe P2 -","1","0.5","","Fernando Canales; M. Concepción Gimeno; Peter G. Jones; Antonio Laguna; Cristina Sarroca","Substitution Reaction Studies on [Au2Cl2(μ-dppf)] (dppf = 1,1'-Bis(diphenylphosphino)ferrocene). Synthesis of the First Gold(I) Complex with a μ3-2-Pyridinethiolate Ligand","Inorganic Chemistry","1997","36","","5206","5211","10.1021/ic9704445","","","0.71073","MoKα","","0.0316","0.0267","","0.0687","0.0663","","","","1.022","1.057","1.057","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323666","11.955","0.003","13.472","0.003","14.596","0.002","85.85","0.02","70.16","0.02","66.04","0.02","2014.9","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H32 Au2 Cl4 Fe I2 P2 -","- C36 H32 Au2 Cl4 Fe I2 P2 -","- C72 H64 Au4 Cl8 Fe2 I4 P4 -","2","1","","Fernando Canales; M. Concepción Gimeno; Peter G. Jones; Antonio Laguna; Cristina Sarroca","Substitution Reaction Studies on [Au2Cl2(μ-dppf)] (dppf = 1,1'-Bis(diphenylphosphino)ferrocene). Synthesis of the First Gold(I) Complex with a μ3-2-Pyridinethiolate Ligand","Inorganic Chemistry","1997","36","","5206","5211","10.1021/ic9704445","","","0.71073","MoKα","","0.1899","0.111","","0.3117","0.2458","","","","1.065","1.122","1.122","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323667","13.831","0.003","14.181","0.003","31.059","0.007","90","","102.17","0.02","90","","5955","2","173","2","173","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C56 H49 Au3 Cl2 F6 Fe N O6 P3 S3 -","- C54 H45 Au3 Cl2 F6 Fe N O6 P3 S3 -","- C216 H180 Au12 Cl8 F24 Fe4 N4 O24 P12 S12 -","4","1","","Fernando Canales; M. Concepción Gimeno; Peter G. Jones; Antonio Laguna; Cristina Sarroca","Substitution Reaction Studies on [Au2Cl2(μ-dppf)] (dppf = 1,1'-Bis(diphenylphosphino)ferrocene). Synthesis of the First Gold(I) Complex with a μ3-2-Pyridinethiolate Ligand","Inorganic Chemistry","1997","36","","5206","5211","10.1021/ic9704445","","","0.71073","MoKα","","0.1568","0.0674","","0.1886","0.1532","","","","0.865","1.099","1.099","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323668","9.838","0.004","11.312","0.003","18.858","0.005","92.68","0.02","90.22","0.03","96.77","0.03","2081.7","1.2","203","","203","","","","","","","","recrystall. from Et2O/THF","7","P -1","-P 1","2","","","","- C37 H60 B10 O P Rh Si -","- C37 H52 B10 O P Rh Si -","- C74 H104 B20 O2 P2 Rh2 Si2 -","2","1","","Lars Wesemann; Yves Ramjoie; Michael Trinkaus; Beate Ganter","Synthesis of the first Metallasila-closo-dodecaborates(1-). Silaborate Complexes of Cobalt, Rhodium, and Iridium","Inorganic Chemistry","1997","36","","5192","5197","10.1021/ic970455y","","","0.71073","Mo-Kα","","0.162","0.063","","","0.062","","","","","1.355","1.355","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323669","7.606","0.003","17.761","0.003","6.66","0.002","100.27","0.02","114.93","0.02","81.84","0.02","800.5","0.4","296.2","","","","","","","","","","","6","P -1","-P 1","2","","[Me3HN][Ni(dmise)2]2","","- C15 H10 N Ni2 S16 Se4 -","- C16 N2 S18 Se4 -","- C16 N2 S18 Se4 -","1","0.5","","Akane Sato; Hayao Kobayashi; Toshio Naito; Fumiko Sakai; Akiko Kobayashi","Enhancement of the Dimensionality of Molecular π Conductors by the Selone Substitution of M(dmit)2 (M = Ni, Pd) Systems: Newly Synthesized dmise Compounds [MexH4-xN][Ni(dmise)2]2 (x= 1-3) and Cs[Pd(dmise)2]2 (dmise = 4,5-Dimercapto-1,3-dithiole-2-selone)","Inorganic Chemistry","1997","36","","5262","5269","10.1021/ic970507j","","","0.71073","MoKα","","","0.036","","","","0.022","","","","","","2.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323670","7.625","0.003","17.583","0.005","6.526","0.002","100.01","0.02","114.81","0.05","80.82","0.05","778.4","0.5","298","","","","","","","","","","","6","P -1","-P 1","2","","Me2N2H[Ni(dmise)2]2","","- C14 H8 N Ni2 S16 Se4 -","- C16 N2 Ni2 S16 Se4 -","- C16 N2 Ni2 S16 Se4 -","1","0.5","","Akane Sato; Hayao Kobayashi; Toshio Naito; Fumiko Sakai; Akiko Kobayashi","Enhancement of the Dimensionality of Molecular π Conductors by the Selone Substitution of M(dmit)2 (M = Ni, Pd) Systems: Newly Synthesized dmise Compounds [MexH4-xN][Ni(dmise)2]2 (x= 1-3) and Cs[Pd(dmise)2]2 (dmise = 4,5-Dimercapto-1,3-dithiole-2-selone)","Inorganic Chemistry","1997","36","","5262","5269","10.1021/ic970507j","","","0.7107","MoKα","","","0.066","","","","0.072","","","","","","0.744","","","","has coordinates","288339","2023-12-15","10:40:36",""
"4323671","7.636","0.002","9.545","0.003","22.95","0.06","90","","92.95","0.02","90","","1671","4","296.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Me3NH[Ni(dmise)2]2","","- C13 H6 N Ni2 S16 Se4 -","- C14 N2 Ni2 S16 Se4 -","- C28 N4 Ni4 S32 Se8 -","2","0.5","","Akane Sato; Hayao Kobayashi; Toshio Naito; Fumiko Sakai; Akiko Kobayashi","Enhancement of the Dimensionality of Molecular π Conductors by the Selone Substitution of M(dmit)2 (M = Ni, Pd) Systems: Newly Synthesized dmise Compounds [MexH4-xN][Ni(dmise)2]2 (x= 1-3) and Cs[Pd(dmise)2]2 (dmise = 4,5-Dimercapto-1,3-dithiole-2-selone)","Inorganic Chemistry","1997","36","","5262","5269","10.1021/ic970507j","","","0.7107","MoKα","","","0.058","","","","0.058","","","","","","2.38","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323672","14.932","0.003","15.058","0.005","28.22","0.01","90","","90","","90","","6345","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H48 B2 Co F8 N8 O3 -","- C21 H48 B2 Co F8 N8 O3 -","- C168 H384 B16 Co8 F64 N64 O24 -","8","1","","Myunghyun Paik Suh; Jaeho Lee; Mi Young Han; Tea Sung Yoon","Template Synthesis, Properties, and Crystal Structure of a trigonal Bipyramidal Cobalt(II) Octaazamacrobicyclic Complex","Inorganic Chemistry","1997","36","","5651","5654","10.1021/ic970020a","","","0.71073","MoKα","","0.1699","0.0996","","0.3346","0.256","","","","1.08","1.127","1.127","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323673","10.64","0.07","11.7","0.13","12.23","0.06","90","","110.33","0.04","90","","1428","2","293","2","293","2","","","","","","","Give summary of chemical and crystal preparation in sufficent detail to reproduce experiment","6","P 1 21/c 1","-P 2ybc","14","","2-(2-thienyl)pyridine)-tetracarbonyl-rhenium(I)","","- C13 H6 N O4 Re S -","- C13 H6 N O4 Re S -","- C52 H24 N4 O16 Re4 S4 -","4","1","","Frederik W. M. Vanhelmont; Hans U. Güdel","Synthesis, Crystal Structure, High-Resolution Optical Spectroscopy, and Extended Hückel Calculations for [Re(CO)4(thpy)] (thpy-= 2-(2-Thienyl)pyridinate). Comparison with Related Cyclometalated Complexes","Inorganic Chemistry","1997","36","","5512","5517","10.1021/ic970415u","","","0.71069","MoKα","","0.06","0.026","","0.0611","0.0534","","","","1.023","1.062","1.062","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323674","11.6059","0.0004","13.8415","0.0005","36.163","0.001","90","","95.03","","90","","5787","0.3","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C107.13 H88 Cl6 Cu2 P8 Ru2 -","- C107.12 H88 Cl6 Cu2 P8 Ru2 -","- C214.24 H176 Cl12 Cu4 P16 Ru4 -","2","0.5","","Yongbao Zhu; Michael O. Wolf; Glenn P. A. Yap","Copper(I) Halide Catalyzed Trans-Cis Isomerization of RuCl2(dppm)2 (dppm = Ph2PCH2PPh2)","Inorganic Chemistry","1997","36","","5483","5487","10.1021/ic9704187","","","0.71073","MoKα","","0.0689","0.0538","","0.174","0.1647","","","","1.066","1.177","1.177","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323675","14.361","0.002","19.929","0.003","17.648","0.003","90","","107.02","0.02","90","","4829.6","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 Fe3 In2 O10 Si6 -","- C30 H54 Fe3 In2 O10 Si6 -","- C120 H216 Fe12 In8 O40 Si24 -","4","1","","Werner Uhl; Sven Uwe Keimling; Michael Pohlmann; Siegfried Pohl; Wolfgang Saak; Wolfgang Hiller; Markus Neumayer","Organometallic Iron Indium Derivatives Prepared by the Reaction of Carbonyliron Compounds with the Alkylindium(I) Derivative In4[C(SiMe3)3]4","Inorganic Chemistry","1997","36","","5478","5482","10.1021/ic9704804","","","0.71073","MoKα","","0.0587","0.0386","","0.1259","0.1028","","","","0.855","0.843","0.843","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323676","15.278","0.003","9.603","0.002","37.554","0.008","90","","90.17","0.03","90","","5510","2","199","2","199","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H27 Fe2 In O8 Si3 -","- C18 H27 Fe2 In O8 Si3 -","- C144 H216 Fe16 In8 O64 Si24 -","8","1","","Werner Uhl; Sven Uwe Keimling; Michael Pohlmann; Siegfried Pohl; Wolfgang Saak; Wolfgang Hiller; Markus Neumayer","Organometallic Iron Indium Derivatives Prepared by the Reaction of Carbonyliron Compounds with the Alkylindium(I) Derivative In4[C(SiMe3)3]4","Inorganic Chemistry","1997","36","","5478","5482","10.1021/ic9704804","","","0.71073","MoKα","","0.0734","0.0465","","0.2701","0.1165","","","","1.254","1.105","1.105","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323677","9.593","0.001","15.067","0.002","15.614","0.001","86.11","0.01","88.76","0.01","73.57","0.01","2159.7","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H54 Fe2 In2 O7 Si6 -","- C27 H54 Fe2 In2 O7 Si6 -","- C54 H108 Fe4 In4 O14 Si12 -","2","1","","Werner Uhl; Sven Uwe Keimling; Michael Pohlmann; Siegfried Pohl; Wolfgang Saak; Wolfgang Hiller; Markus Neumayer","Organometallic Iron Indium Derivatives Prepared by the Reaction of Carbonyliron Compounds with the Alkylindium(I) Derivative In4[C(SiMe3)3]4","Inorganic Chemistry","1997","36","","5478","5482","10.1021/ic9704804","","","0.71073","MoKα","","0.0274","0.0231","","0.0644","0.061","","","","1.175","1.188","1.188","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323678","23.808","0.003","16.544","0.004","30.26","0.004","90","","76.94","0.01","90","","11611","4","200","2","200","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","compound 1*(BPh4)2","","","- C67 H59 B Cl Co N0 O0.5 P3 -","- C134 H118 B2 Cl2 Co2 O P6 -","- C536 H472 B8 Cl8 Co8 O4 P24 -","4","0.5","","Katja Heinze; Gottfried Huttner; Laszlo Zsolnai; Peter Schober","Complexes of Cobalt(II) Chloride with the Tripodal Trisphosphane triphos: Solution Dynamics, Spin-Crossover, Reactivity, and Redox Activity","Inorganic Chemistry","1997","36","","5457","5469","10.1021/ic9705352","","","0.71073","MoKα","","0.1063","0.0647","","0.2022","0.1728","","","","1.218","1.278","1.278","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4323679","20.015","0.004","20.015","0.004","16.516","0.005","90","","90","","120","","5730","2","200","2","200","","","","","","","","","6","P 61","P 61","169","","compound 3","","- C41.8 H39 Cl2 Co O0.2 P3 -","- C41.8 H39 Cl2 Co O0.2 P3 -","- C250.8 H234 Cl12 Co6 O1.2 P18 -","6","1","","Katja Heinze; Gottfried Huttner; Laszlo Zsolnai; Peter Schober","Complexes of Cobalt(II) Chloride with the Tripodal Trisphosphane triphos: Solution Dynamics, Spin-Crossover, Reactivity, and Redox Activity","Inorganic Chemistry","1997","36","","5457","5469","10.1021/ic9705352","","","0.71073","MoKα","","0.1232","0.0763","","0.1893","0.163","","","","1.063","1.175","1.175","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323680","15.075","0.002","11.129","0.003","15.249","0.002","90","","89.39","0.01","90","","2558.2","0.8","200","2","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound 4","","","- C27 H26 Cl2 Co P2 -","- C27 H26 Cl2 Co P2 -","- C108 H104 Cl8 Co4 P8 -","4","1","","Katja Heinze; Gottfried Huttner; Laszlo Zsolnai; Peter Schober","Complexes of Cobalt(II) Chloride with the Tripodal Trisphosphane triphos: Solution Dynamics, Spin-Crossover, Reactivity, and Redox Activity","Inorganic Chemistry","1997","36","","5457","5469","10.1021/ic9705352","","","0.71073","MoKα","","0.0679","0.0525","","0.138","0.1278","","","","1.089","1.133","1.133","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323681","12.782","0.001","12.819","0.001","13.943","0.001","79.76","0.01","71.41","0.01","81.9","0.01","2122.2","0.3","200","2","200","","","","","","","","","6","P -1","-P 1","2","compound 1*(Zn2Cl6)","","","- C84 H82 Cl12 Co2 P6 Zn2 -","- C84 H82 Cl12 Co2 P6 Zn2 -","- C84 H82 Cl12 Co2 P6 Zn2 -","1","0.5","","Katja Heinze; Gottfried Huttner; Laszlo Zsolnai; Peter Schober","Complexes of Cobalt(II) Chloride with the Tripodal Trisphosphane triphos: Solution Dynamics, Spin-Crossover, Reactivity, and Redox Activity","Inorganic Chemistry","1997","36","","5457","5469","10.1021/ic9705352","","","0.71073","MoKα","","0.0656","0.0415","","0.0912","0.0809","","","","1.028","1.06","1.06","","","","","has coordinates,has disorder","179339","2020-10-21","18:00:00",""
"4323682","13.059","0.001","13.796","0.001","14.526","0.001","105.18","0.01","98.34","0.01","105.93","0.01","2361.5","0.4","200","2","200","","","","","","","","","6","P -1","-P 1","2","compound 1*(CoCl3thf)2","","","- C96 H86 Cl8 Co4 O3.5 P6 -","- C96 H86 Cl8 Co4 O3.5 P6 -","- C96 H86 Cl8 Co4 O3.5 P6 -","1","0.5","","Katja Heinze; Gottfried Huttner; Laszlo Zsolnai; Peter Schober","Complexes of Cobalt(II) Chloride with the Tripodal Trisphosphane triphos: Solution Dynamics, Spin-Crossover, Reactivity, and Redox Activity","Inorganic Chemistry","1997","36","","5457","5469","10.1021/ic9705352","","","0.71073","MoKα","","0.0648","0.0466","","0.1393","0.1181","","","","1.05","1.004","1.004","","","","","has coordinates,has disorder","179339","2020-10-21","18:00:00",""
"4323683","12.808","0.001","19.632","0.002","17.038","0.002","90","","92.13","0.01","90","","4281.2","0.7","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","compound 5","","","- C41.8 H39 Cl5.6 Co Fe O0 P3 -","- C41.8 H39 Cl5.6 Co Fe P3 -","- C167.2 H156 Cl22.4 Co4 Fe4 P12 -","4","1","","Katja Heinze; Gottfried Huttner; Laszlo Zsolnai; Peter Schober","Complexes of Cobalt(II) Chloride with the Tripodal Trisphosphane triphos: Solution Dynamics, Spin-Crossover, Reactivity, and Redox Activity","Inorganic Chemistry","1997","36","","5457","5469","10.1021/ic9705352","","","0.71073","MoKα","","0.1169","0.0656","","0.167","0.1402","","","","1.068","1.147","1.147","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4323684","12.768","0.002","19.657","0.002","16.983","0.002","90","","92.11","0.01","90","","4259.5","0.9","200","2","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound 6","","","- C42 H39 Cl6 Co2 O0 P3 -","- C42 H39 Cl6 Co2 P3 -","- C168 H156 Cl24 Co8 P12 -","4","1","","Katja Heinze; Gottfried Huttner; Laszlo Zsolnai; Peter Schober","Complexes of Cobalt(II) Chloride with the Tripodal Trisphosphane triphos: Solution Dynamics, Spin-Crossover, Reactivity, and Redox Activity","Inorganic Chemistry","1997","36","","5457","5469","10.1021/ic9705352","","","0.71073","MoKα","","0.0795","0.0507","","0.1378","0.1178","","","","1.01","1.063","1.063","","","","","has coordinates,has disorder","179339","2020-10-21","18:00:00",""
"4323685","10.158","0.005","18.159","0.01","33.222","0.017","90","","82.87","0.04","90","","6081","5","200","2","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","8*(BPh4)","","","- C69 H68 B Cl3 Co P4 -","- C69 H68 B Cl3 Co P4 -","- C276 H272 B4 Cl12 Co4 P16 -","4","1","","Katja Heinze; Gottfried Huttner; Laszlo Zsolnai; Peter Schober","Complexes of Cobalt(II) Chloride with the Tripodal Trisphosphane triphos: Solution Dynamics, Spin-Crossover, Reactivity, and Redox Activity","Inorganic Chemistry","1997","36","","5457","5469","10.1021/ic9705352","","","0.71073","MoKα","","0.0892","0.0548","","0.1453","0.1194","","","","1.022","1.044","1.044","","","","","has coordinates,has disorder","179339","2020-10-21","18:00:00",""
"4323686","9.661","0.001","15.635","0.002","19.562","0.002","85.94","0.01","83.11","0.01","73.61","0.01","2812.2","0.6","200","2","200","","","","","","","","","7","P -1","-P 1","2","compound 9*BPh4","","","- C66 H64 B Cl3 Co N P3 -","- C66 H64 B Cl3 Co N P3 -","- C132 H128 B2 Cl6 Co2 N2 P6 -","2","1","","Katja Heinze; Gottfried Huttner; Laszlo Zsolnai; Peter Schober","Complexes of Cobalt(II) Chloride with the Tripodal Trisphosphane triphos: Solution Dynamics, Spin-Crossover, Reactivity, and Redox Activity","Inorganic Chemistry","1997","36","","5457","5469","10.1021/ic9705352","","","0.71073","MoKα","","0.1187","0.0597","","0.1277","0.1039","","","","1.013","1.071","1.071","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323687","12.308","0.003","16.249","0.005","17.302","0.004","65.57","0.02","72.27","0.02","81.95","0.02","3000.4","1.5","200","2","200","","","","","","","","","7","P -1","-P 1","2","compound 10*BPh4","","","- C71 H68 B Cl Co N3 P3 -","- C71 H68 B Cl Co N3 P3 -","- C142 H136 B2 Cl2 Co2 N6 P6 -","2","1","","Katja Heinze; Gottfried Huttner; Laszlo Zsolnai; Peter Schober","Complexes of Cobalt(II) Chloride with the Tripodal Trisphosphane triphos: Solution Dynamics, Spin-Crossover, Reactivity, and Redox Activity","Inorganic Chemistry","1997","36","","5457","5469","10.1021/ic9705352","","","0.71073","MoKα","","0.0569","0.0413","","0.1085","0.0989","","","","1.042","1.066","1.066","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323688","20.723","0.006","10.274","0.004","16.871","0.004","90","","90","","90","","3592","1.9","200","2","200","","","","","","","","","5","P n a 21","P 2c -2n","33","compound 11","","","- C41 H39 Cl Co P3 -","- C41 H39 Cl Co P3 -","- C164 H156 Cl4 Co4 P12 -","4","1","","Katja Heinze; Gottfried Huttner; Laszlo Zsolnai; Peter Schober","Complexes of Cobalt(II) Chloride with the Tripodal Trisphosphane triphos: Solution Dynamics, Spin-Crossover, Reactivity, and Redox Activity","Inorganic Chemistry","1997","36","","5457","5469","10.1021/ic9705352","","","0.71073","MoKα","","0.0645","0.0483","","0.1369","0.1284","","","","1.19","1.24","1.24","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323689","23.452","0.004","23.483","0.004","33.697","0.007","90","","90","","90","","18558","6","200","2","200","","","","","","","","","9","I b a 2","I 2 -2c","45","compound 12*BCl4","","","- C41.75 H39 B Cl6.5 Co F0 N0 O0.13 P3 -","- C83.5 H78 B2 Cl13 Co2 O0.25 P6 -","- C668 H624 B16 Cl104 Co16 O2 P48 -","8","1","","Katja Heinze; Gottfried Huttner; Laszlo Zsolnai; Peter Schober","Complexes of Cobalt(II) Chloride with the Tripodal Trisphosphane triphos: Solution Dynamics, Spin-Crossover, Reactivity, and Redox Activity","Inorganic Chemistry","1997","36","","5457","5469","10.1021/ic9705352","","","0.71073","MoKα","","0.067","0.0653","","0.1997","0.1968","","","","1.096","1.098","1.098","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323690","17.4278","0.0013","9.0809","0.0007","27.361","0.002","90","","105.936","0.002","90","","4163.7","0.5","173","2","173","2","","","","","","","S. Mandal/ Prof. L. Que, Jr.","6","P 1 21/c 1","-P 2ybc","14","96302","","","- C43 H51 B Fe N4 O6 -","- C43 H51 B Fe N4 O6 -","- C172 H204 B4 Fe4 N16 O24 -","4","1","","Sanjay K. Mandal; Lawrence Que","Models for Amide Ligation in Nonheme Iron Enzymes","Inorganic Chemistry","1997","36","","5424","5425","10.1021/ic970541y","","","0.71073","MoKα","","0.2439","0.0678","","0.2084","0.1243","","","","1.059","1.13","1.13","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323691","9.4635","0.0002","23.8909","0.0004","39.7436","0.0004","90","","90","","90","","8985.7","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H55 B Fe N4 O4 -","- C49 H55 B Fe N4 O4 -","- C392 H440 B8 Fe8 N32 O32 -","8","2","","Sanjay K. Mandal; Lawrence Que","Models for Amide Ligation in Nonheme Iron Enzymes","Inorganic Chemistry","1997","36","","5424","5425","10.1021/ic970541y","","","0.71073","MoKα","","0.1327","0.0634","","0.1569","0.1278","","","","0.991","1.109","1.109","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323692","13.6381","0.0002","23.559","0.0003","15.7021","0.0002","90","","108.594","0.001","90","","4781.74","0.11","173","2","173","2","","","","","","","S. Mandal/ Prof. L. Que, Jr.","6","P 1 21/n 1","-P 2yn","14","97035","","","- C34 H41 Cl3 Fe2 N10 O17 -","- C34 H41 Cl3 Fe2 N10 O17 -","- C136 H164 Cl12 Fe8 N40 O68 -","4","1","","Sanjay K. Mandal; Lawrence Que","Models for Amide Ligation in Nonheme Iron Enzymes","Inorganic Chemistry","1997","36","","5424","5425","10.1021/ic970541y","","","0.71073","MoKα","","0.1217","0.0822","","0.2375","0.2132","","","","1.071","1.194","1.194","","","","","has coordinates,has disorder","179339","2020-10-21","18:00:00",""
"4323693","23.5095","0.0001","9.909","0.0001","23.3586","0.0002","90","","91.526","0.001","90","","5439.59","0.08","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H66 N4 O6 S2 -","- C56 H66 N4 O6 S2 -","- C224 H264 N16 O24 S8 -","4","1","","Beth R. Cameron; Stephen J. Loeb; Glenn P. A. Yap","Calixarene Metalloreceptors. Synthesis and Molecular Recognition Properties of Upper-Rim Functionalized Calix[4]arenes Containing an Organopalladium Binding Site","Inorganic Chemistry","1997","36","","5498","5504","10.1021/ic9705913","","","0.71073","MoKα","","0.1476","0.1013","","0.2406","0.2192","","","","1.208","1.378","1.378","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4323694","8.893","0.002","11.733","0.002","13.272","0.002","75.48","0.013","82.93","0.02","88.43","0.02","1330.4","0.4","293","2","293","2","","","","","","","Acetonitrile","6","P -1","-P 1","2","","Aqua-potassium-hydrotris(5-methyl-3-3'-pyridyl-pyrazole-1-yl)borate","","- C27 H27 B K N9 O -","- C27 H27 B K N9 O -","- C54 H54 B2 K2 N18 O2 -","2","1","","Karl Weis; Heinrich Vahrenkamp","Two New Pyridyl-Substituted Tris(pyrazolyl)borate Ligands and Their Potassium Salts","Inorganic Chemistry","1997","36","","5589","5591","10.1021/ic970627r","","","0.71073","MoKα","","0.094","0.0452","","0.1351","0.1058","","","","1.066","1.022","1.022","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323695","9.481","0.0015","11.613","0.0014","15.516","0.0014","76.68","0.009","75.13","0.009","89.6","0.011","1604.3","0.4","293","2","293","2","","","","","","","Acetonitrile","6","P -1","-P 1","2","","Diaqua-Potassium- hydrotris(5-methyl-3-3'(4'-methyl)-pyridyl-pyrazole-1-yl)borate","","- C30 H35 B K N9 O2 -","- C30 H35 B K N9 O2 -","- C60 H70 B2 K2 N18 O4 -","2","1","","Karl Weis; Heinrich Vahrenkamp","Two New Pyridyl-Substituted Tris(pyrazolyl)borate Ligands and Their Potassium Salts","Inorganic Chemistry","1997","36","","5589","5591","10.1021/ic970627r","","","0.71073","MoKα","","0.0879","0.0445","","0.144","0.114","","","","1.086","1.058","1.058","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323696","18.922","0.001","10.476","0.004","31.444","0.001","90","","101.99","0.04","90","","6097","3","293","2","293","2","","","","","","","Ethanol","7","C 1 2/c 1","-C 2yc","15","","Hydrotris(5-methyl-3-3'-pyridyl-pyrazole-1-yl)borato-zinc-iodide","","- C29 H31 B I N9 O Zn -","- C29 H31 B I N9 O Zn -","- C232 H248 B8 I8 N72 O8 Zn8 -","8","1","","Karl Weis; Heinrich Vahrenkamp","Simple Zinc Complexes of Pyridyl-Substituted Tris(pyrazolyl)borate Ligands","Inorganic Chemistry","1997","36","","5592","5596","10.1021/ic970628j","","","0.71073","MoKα","","0.0485","0.0337","","0.1023","0.0896","","","","1.071","1.044","1.044","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323697","11.123","0.005","11.638","0.007","13.793","0.004","72.34","0.03","75.32","0.03","73.09","0.05","1600.8","1.4","200","2","293","2","","","","","","","Ethanol","7","P -1","-P 1","2","","Hydrotris(5-methyl-3-3'-pyridyl-pyrazole-1-yl)borato-zinc-fluoride","","- C29 H31 B F N9 O Zn -","- C29 H31 B F N9 O Zn -","- C58 H62 B2 F2 N18 O2 Zn2 -","2","1","","Karl Weis; Heinrich Vahrenkamp","Simple Zinc Complexes of Pyridyl-Substituted Tris(pyrazolyl)borate Ligands","Inorganic Chemistry","1997","36","","5592","5596","10.1021/ic970628j","","","0.71069","MoKα","","0.0755","0.0662","","0.2213","0.1946","","","","1.053","1.039","1.039","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323698","18.33","0.002","13.876","0.001","21.616","0.001","90","","115.96","0.07","90","","4943","3","293","2","293","2","","","","","","","Dichloromethane/Cyclohexane","5","C 1 2/c 1","-C 2yc","15","","Bis-Hydrotris(5-methyl-3-3'pyridyl-pyrazole-1-yl)borato-zinc","","- C54 H50 B2 N18 Zn -","- C54 H50 B2 N18 Zn -","- C216 H200 B8 N72 Zn4 -","4","0.5","","Karl Weis; Heinrich Vahrenkamp","Simple Zinc Complexes of Pyridyl-Substituted Tris(pyrazolyl)borate Ligands","Inorganic Chemistry","1997","36","","5592","5596","10.1021/ic970628j","","","0.71073","MoKα","","0.1623","0.0488","","0.1281","0.0922","","","","1.089","1.088","1.088","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323699","47.466","0.003","10.415","0.002","17.204","0.004","90","","93.84","0.02","90","","8486","3","293","","293","","","","","","","","Synthesized in the laboratory","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H47 Co N9 O10 S -","- C40 H47 Co N9 O10 S -","- C320 H376 Co8 N72 O80 S8 -","8","1","","Dillip K. Chand; Parimal K. Bharadwaj","A Cobalt(II) Cryptate of a Heteroditopic Cryptand L as an Efficient Oxygenation Catalyst of Organic Substrates Using Molecular Oxygen and 2-Methylpropanal","Inorganic Chemistry","1997","36","","5658","5660","10.1021/ic970306f","","","0.71073","MoK-alpha","","0.114","0.072","","0.091","0.069","","","","7.848","5.831","5.831","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4323700","17.529","0.002","8.954","0.001","27.704","0.002","90","","107.02","0.01","90","","4157.8","0.8","199","2","199","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cl4 Hg In2 O5 -","- C40 H52 Cl4 Hg In2 O5 -","- C160 H208 Cl16 Hg4 In8 O20 -","4","1","","François P. Gabbaï; Annette Schier; Jürgen Riede; Alexander Sladek; Hans W. Görlitzer","Unusual Ring Systems Containing Indium. Synthesis and Structure of the First Mercuraindacycles","Inorganic Chemistry","1997","36","","5694","5698","10.1021/ic970241g","","","0.71073","MoKα","","0.0318","0.0272","","0.0697","0.0632","","","","1.072","1.082","1.082","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323701","8.368","0.001","15.357","0.001","19.446","0.001","90","","90","","90","","2499","0.4","205","2","205","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Br Hg In O2 -","- C28 H28 Br Hg In O2 -","- C112 H112 Br4 Hg4 In4 O8 -","4","1","","François P. Gabbaï; Annette Schier; Jürgen Riede; Alexander Sladek; Hans W. Görlitzer","Unusual Ring Systems Containing Indium. Synthesis and Structure of the First Mercuraindacycles","Inorganic Chemistry","1997","36","","5694","5698","10.1021/ic970241g","","","0.71073","MoKα","","0.0235","0.0202","","0.048","0.0462","","","","1.068","1.07","1.07","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323702","19.492","0.001","19.492","0.001","10.432","0.001","90","","90","","90","","3963.5","0.5","199","","199","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C38 H48 Cl2 In2 O4.5 -","- C38.5 H60 Cl2 In2 O4 -","- C154 H240 Cl8 In8 O16 -","4","0.5","","François P. Gabbaï; Annette Schier; Jürgen Riede; Alexander Sladek; Hans W. Görlitzer","Unusual Ring Systems Containing Indium. Synthesis and Structure of the First Mercuraindacycles","Inorganic Chemistry","1997","36","","5694","5698","10.1021/ic970241g","","","0.71069","MoKα","","0.0743","0.0572","","0.157","0.1312","","","","1.231","1.298","1.298","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323703","9.026","0.002","14.838","0.001","13.946","0.001","90","","106.328","0.009","90","","1792.4","0.4","296.2","","296.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H44 F6 N4 O10 Pt S2 -","- C22 H44 F6 N4 O10 Pt0.5 S2 -","- C44 H88 F12 N8 O20 Pt S4 -","2","0.5","","Paul D. Prenzler; David C. R. Hockless; Graham A. Heath","Steric and Electronic Effects in the First Homoleptic Imino Ether Complex: Synthesis and X-ray Crystallographic Determination of [Pt(NHC(OEt)Et)4](CF3SO3)2","Inorganic Chemistry","1997","36","","5845","5849","10.1021/ic970312b","","","1.5418","CuKα","","","0.0239","","","0.0312","","","","","2.757","2.757","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323704","15.462","0.005","17.297","0.006","19.933","0.006","79.03","0.03","87.14","0.02","76.44","0.02","5088","3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C90 H68 Ag2 Cl2 F16 O6 P6 Pd2 S4 -","- C90 H66 Ag2 Cl2 F16 O6 P6 Pd2 S4 -","- C180 H132 Ag4 Cl4 F32 O12 P12 Pd4 S8 -","2","1","","Rafael Usón; Miguel A. Usón; Santiago Herrero","Synthesis and Crystal Structure of the First Cluster Displaying PdI-AgI Interactions: [Ag2Pd2(SC6F5)2(SO3CF3)(dppm)3]SO3CF3.CH2Cl2","Inorganic Chemistry","1997","36","","5959","5961","10.1021/ic970457i","","","0.71073","MoKα","","0.0791","0.0536","","0.1454","0.1322","","","","1.03","1.124","1.124","","","","","has coordinates,has disorder","179340","2020-10-21","18:00:00",""
"4323705","9.482","0.002","11.888","0.002","17.303","0.002","108.236","0.006","93.34","0.01","95.605","0.01","1835.5","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H30 Au Cl2 N P2 S3 -","- C37 H30 Au Cl2 N P2 S3 -","- C74 H60 Au2 Cl4 N2 P4 S6 -","2","1","","José Vicente; María-Teresa Chicote; Pablo González-Herrero; Peter G. Jones","Complexes with S-Donor Ligands. 6.Synthesis of the First Family of (Trithiocarbonato)gold Complexes. Crystal Structure of [(PPh3)2N][AuCl2(CS3)]","Inorganic Chemistry","1997","36","","5735","5739","10.1021/ic970478c","","","0.71073","MoKα","","0.0565","0.0393","","0.097","0.0909","","","","1.064","1.126","1.126","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323706","11.088","0.003","11.226","0.003","35.283","0.009","90","","91.41","0.02","90","","4390","2","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Ru-(6‒carboxylato-bipy)~2~]","[Ruthenium(II)bis(6-carboxylato-2,2-́bipyridine)]","","- C24 H20 N4 O5 Ru -","- C24 H14 N4 O5 Ru -","- C192 H112 N32 O40 Ru8 -","8","2","","Thomas Norrby; Anna Börje; Björn Åkermark; Leif Hammarström; Jan Alsins; Kianosh Lashgari; Rolf Norrestam; Jerker Mårtensson; Gunnar Stenhagen","Synthesis, Structure, and Photophysical Properties of Novel Ruthenium(II) Carboxypyridine Type Complexes","Inorganic Chemistry","1997","36","","5850","5858","10.1021/ic9705812","","","1.54184","CuKα","","","0.057","","0.088","0.068","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323707","7.9891","0.0003","9.7673","0.0004","10.5833","0.0004","73.264","0.001","69.896","0.001","73.134","0.001","725.7","0.05","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H10 Cr2 F20 O4 P2 -","- C24 H10 Cr2 F20 O4 P2 -","- C24 H10 Cr2 F20 O4 P2 -","1","0.5","","R. Gregory Peters; Byron L. Bennett; R. Chris Schnabel; Dean M. Roddick","(Fluoroalkyl)phosphine Coordination Chemistry: Synthesis and Structure of {[μ,η1,η6-(C6H5)P(C2F5)2]Cr(CO)2}2","Inorganic Chemistry","1997","36","","5962","5965","10.1021/ic970672z","","","0.71073","MoKα","","0.0404","0.0374","","0.0906","0.0886","","","","1.164","1.175","1.175","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323708","9.439","0.002","20.388","0.004","28.308","0.006","90","","90","","90","","5448","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","F-[3.1.1]-cryptand x NaCF3SO3","","- C25 H30 F5 N2 Na O6 S -","- C25 H30 F5 N2 Na O6 S -","- C200 H240 F40 N16 Na8 O48 S8 -","8","1","","Herbert Plenio; Jörg Hermann; Ralph Diodone","The Coordination Chemistry of Fluorocarbons: Difluoro-m-cyclophane-Based Fluorocryptands and Their Group I and II Metal Ion Complexes","Inorganic Chemistry","1997","36","","5722","5729","10.1021/ic9708069","","","0.71069","MoKα","","0.1291","0.0845","","0.3055","0.2428","","","","1.103","1.18","1.18","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323709","11.84","0.002","16.136","0.003","13.815","0.003","90","","99.21","0.03","90","","2605.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","meta-fluorcyclophan x HCF3SO3 or F2-[3.1.1]-cryptand x HCF3SO3","","- C25 H31 F5 N2 O6 S -","- C25 H31 F5 N2 O6 S -","- C100 H124 F20 N8 O24 S4 -","4","1","","Herbert Plenio; Jörg Hermann; Ralph Diodone","The Coordination Chemistry of Fluorocarbons: Difluoro-m-cyclophane-Based Fluorocryptands and Their Group I and II Metal Ion Complexes","Inorganic Chemistry","1997","36","","5722","5729","10.1021/ic9708069","","","0.71069","MoKα","","0.11","0.0468","","0.1443","0.1093","","","","1.068","1.13","1.13","","","","","has coordinates,has disorder","179340","2020-10-21","18:00:00",""
"4323710","8.796","0.002","14.508","0.003","10.097","0.002","90","","96.49","0.03","90","","1280.2","0.5","203","2","203","2","","","","","","","","7","P 1 21 1","P 2yb","4","","HF-[3.1.1]-cryptand x NaCF3SO3","","- C24 H31 Cl F N2 Na O7 -","- C24 H31 Cl F N2 Na O7 -","- C48 H62 Cl2 F2 N4 Na2 O14 -","2","1","","Herbert Plenio; Jörg Hermann; Ralph Diodone","The Coordination Chemistry of Fluorocarbons: Difluoro-m-cyclophane-Based Fluorocryptands and Their Group I and II Metal Ion Complexes","Inorganic Chemistry","1997","36","","5722","5729","10.1021/ic9708069","","","0.71069","MoKα","","0.0732","0.0722","","","0.1931","0.1945","","","","","","1.063","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323711","17.8117","0.0014","11.353","0.002","23.3914","0.0013","90","","97.738","0.005","90","","4687","0.9","294.2","","294.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H42 Cl F6 N3 P4 Ru -","- C51 H42 Cl F6 N3 P4 Ru -","- C204 H168 Cl4 F24 N12 P16 Ru4 -","4","1","","Richard P. Schutte; Steven J. Rettig; Ajey M. Joshi; Brian R. James","Synthesis, Structure, and Reactivity of [RuCl(PP)]PF~6~ (PP = (PPh~3~)~2~, Ph~2~P(CH~2~)~4~PPh~2~; L = Ppy~3~, PPhpy~2~; py = 2-pyridyl). The ""Missing"" P,N,N'-Coordination Mode for 2-Pyridylphosphines","Inorganic Chemistry","1997","36","","5809","5817","10.1021/ic970835j","","","0.7107","MoKα","","","0.033","","","","0.031","","","","","","1.76","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323712","17.795","0.002","11.375","0.004","23.343","0.002","90","","97.012","0.008","90","","4689.7","1.8","294.2","","294.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H43 Cl F6 N2 P4 Ru -","- C52 H43 Cl F6 N2 P4 Ru -","- C208 H172 Cl4 F24 N8 P16 Ru4 -","4","1","","Richard P. Schutte; Steven J. Rettig; Ajey M. Joshi; Brian R. James","Synthesis, Structure, and Reactivity of [RuCl(PP)]PF~6~ (PP = (PPh~3~)~2~, Ph~2~P(CH~2~)~4~PPh~2~; L = Ppy~3~, PPhpy~2~; py = 2-pyridyl). The ""Missing"" P,N,N'-Coordination Mode for 2-Pyridylphosphines","Inorganic Chemistry","1997","36","","5809","5817","10.1021/ic970835j","","","0.7107","MoKα","","","0.036","","","","0.035","","","","","","1.73","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323713","12.009","0.004","21.713","0.005","12.125","0.003","90","","92.44","0.02","90","","3158.7","1.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H39 F9 N4 O Si3 U -","- C19 H39 F9 N4 O Si3 U -","- C76 H156 F36 N16 O4 Si12 U4 -","4","1","","Paul Roussel; Peter B. Hitchcock; Nigel D. Tinker; Peter Scott","Alkoxide and Aryloxide Derivatives of a (Triamidoamine)uranium Complex","Inorganic Chemistry","1997","36","","5716","5721","10.1021/ic970856d","","","0.71073","MoKα","","0.1136","0.064","","0.1827","0.1533","","","","1.006","1.047","1.047","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323714","10.812","0.004","18.567","0.005","19.316","0.007","90","","90","","90","","3878","2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H61 Li N4 O3 Si3 U -","- C29 H61 Li N4 O3 Si3 U -","- C116 H244 Li4 N16 O12 Si12 U4 -","4","1","","Paul Roussel; Peter B. Hitchcock; Nigel D. Tinker; Peter Scott","Alkoxide and Aryloxide Derivatives of a (Triamidoamine)uranium Complex","Inorganic Chemistry","1997","36","","5716","5721","10.1021/ic970856d","","","0.71073","MoKα","","0.0807","0.0478","","0.1032","0.0908","","","","1.059","1.108","1.108","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323715","11.712","0.005","13.896","0.005","14.875","0.008","90","","96.7","0.04","90","","2404.4","1.9","23","","23","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Cl2 N6 Ni O4 -","- C22 H20 Cl2 N6 Ni O4 -","- C88 H80 Cl8 N24 Ni4 O16 -","4","0.5","","Yasuharu Murakami; Takakazu Yamamoto","Synthesis of cis-Bis(heteroaryl)nickel(II) Complexes and Reductive Elimination of Bis(heteroaryl) Products Induced by Protic Acid","Inorganic Chemistry","1997","36","","5682","5683","10.1021/ic971111a","","","0.7107","MoKalpha","","","0.043","","","0.033","","","","","1.59","1.59","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323716","9.8345","0.0011","10.023","0.002","10.0181","0.0015","68.11","0.02","71.466","0.011","71.465","0.015","846.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Mn(5-methylpyrazole)2(tp)]n","","","- C16 H16 Mn N4 O4 -","- C16 H10 Mn N4 O4 -","- C32 H20 Mn2 N8 O8 -","2","1","","Chang Seop Hong; Youngkyu Do","A Magnetically Coupled Three-Dimensional (Terephthalato)manganese(II) Network","Inorganic Chemistry","1997","36","","5684","5685","10.1021/ic9711527","","","0.71073","MoKα","","0.0388","0.0354","","0.1128","0.1098","","","","1.123","1.142","1.142","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323717","30.709","0.004","10.374","0.001","12.696","0.002","90","","112.62","0.01","90","","3733.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[(biscyclopentadienylmethane)diruthenium tetracarbonyl(/m-hydride)] [trifluoromethylsulfonate]","","- C16 H11 F3 O7 Ru2 S -","- C16 H11 F3 O7 Ru2 S -","- C128 H88 F24 O56 Ru16 S8 -","8","1","","Chip Nataro; Leonard M. Thomas; Robert J. Angelici","Cyclopentadienyl Ligand Effects on Enthalpies of Protonation of the Ru-Ru Bond in Cp'2Ru2(CO)4 Complexes","Inorganic Chemistry","1997","36","","6000","6008","10.1021/ic970181e","","","0.71073","MoKα","","0.072","0.0383","","0.1139","0.0984","","","","1.039","1.118","1.118","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323718","14.399","0.003","16.128","0.003","16.045","0.003","90","","94.62","0.03","90","","3714","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[biscyclopentadienyldiruthenium tetracarbonyl(μ-hydride)](trifloromethyl sulfonate]","","- C15 H11 F3 O7 Ru2 S -","- C15 H11 F3 O7 Ru2 S -","- C120 H88 F24 O56 Ru16 S8 -","8","2","","Chip Nataro; Leonard M. Thomas; Robert J. Angelici","Cyclopentadienyl Ligand Effects on Enthalpies of Protonation of the Ru-Ru Bond in Cp'2Ru2(CO)4 Complexes","Inorganic Chemistry","1997","36","","6000","6008","10.1021/ic970181e","","","1.54178","CuKα","","0.0869","0.0758","","0.2","0.1839","","","","1.18","1.214","1.214","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323719","8.097","0.002","13.376","0.003","13.925","0.003","90","","94.17","0.03","90","","1504.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1,2-biscyclopentadienylethane)diruthenium tetracarbonyl","","- C16 H12 O4 Ru2 -","- C16 H12 O4 Ru2 -","- C64 H48 O16 Ru8 -","4","1","","Chip Nataro; Leonard M. Thomas; Robert J. Angelici","Cyclopentadienyl Ligand Effects on Enthalpies of Protonation of the Ru-Ru Bond in Cp'2Ru2(CO)4 Complexes","Inorganic Chemistry","1997","36","","6000","6008","10.1021/ic970181e","","","0.71073","MoKα","","0.1185","0.0503","","0.122","0.1","","","","1.039","1.105","1.105","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323720","11.0366","0.0009","12.2986","0.0006","13.9949","0.0007","90","","90","","90","","1899.6","0.2","293","2","293","2","","","","","","","CH2Cl2","4","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Cl N3 -","- C6 H16 Cl N3 -","- C48 H128 Cl8 N24 -","8","1","","Randolf D. Köhn; Matthias Haufe; Gabriele Kociok-Köhn; Alexander C. Filippou","The Chemistry of 1,3,5-Triazacyclohexane Complexes. 6.1Synthesis and Characterization of the Cobalt(II) Methoxide Core {Co3(OMe)4}2+","Inorganic Chemistry","1997","36","","6064","6069","10.1021/ic9704593","","","0.71073","MoKα","","0.0868","0.0463","","0.16","0.1179","","","","1.057","1.162","1.162","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4323721","12.71","0.003","23.251","0.003","18.702","0.004","90","","101.16","0.02","90","","5422.3","1.9","183","2","190","2","","","","","","","CH2Cl2","8","P 1 21 1","P 2yb","4","","","","- C88 H85 B2 Cl4 Co3 F48 N9 O4 -","- C88 H85 B2 Cl4 Co3 F48 N9 O4 -","- C176 H170 B4 Cl8 Co6 F96 N18 O8 -","2","1","","Randolf D. Köhn; Matthias Haufe; Gabriele Kociok-Köhn; Alexander C. Filippou","The Chemistry of 1,3,5-Triazacyclohexane Complexes. 6.1Synthesis and Characterization of the Cobalt(II) Methoxide Core {Co3(OMe)4}2+","Inorganic Chemistry","1997","36","","6064","6069","10.1021/ic9704593","","","0.71073","MoKα","","0.1024","0.0715","","0.2071","0.184","","","","1.03","1.131","1.131","","","","","has coordinates,has disorder","179340","2020-10-21","18:00:00",""
"4323722","13.857","0.002","16.843","0.003","19.318","0.002","79.23","0.02","76.855","0.013","70.1","0.02","4098.8","1.2","153","2","150","2","","","","","","","CH2Cl2","8","P -1","-P 1","2","","","","- C71 H59 B2 Cl2 Co3 F40 N9 O4 -","- C71 H59 B2 Cl2 Co3 F40 N9 O4 -","- C142 H118 B4 Cl4 Co6 F80 N18 O8 -","2","1","","Randolf D. Köhn; Matthias Haufe; Gabriele Kociok-Köhn; Alexander C. Filippou","The Chemistry of 1,3,5-Triazacyclohexane Complexes. 6.1Synthesis and Characterization of the Cobalt(II) Methoxide Core {Co3(OMe)4}2+","Inorganic Chemistry","1997","36","","6064","6069","10.1021/ic9704593","","","0.71073","MoKα","","0.0497","0.0348","","0.0917","0.0848","","","","0.957","1.046","1.046","","","","","has coordinates,has disorder","179340","2020-10-21","18:00:00",""
"4323723","12.202","0.005","14.852","0.004","23.362","0.005","74.73","0.02","84.73","0.02","69.42","0.03","3824","2","294","","294","","","","","","","","Synthesis","6","P -1","-P 1","2","tetrakis(schiff base)tris(hydroxo)octacopper(II) perchlorate.3H2O.C7H12","","","- C59 H97 Cl Cu8 N8 O22 -","- C59 H76 Cl Cu8 N8 O22 -","- C118 H152 Cl2 Cu16 N16 O44 -","2","1","","Kannappan Geetha; Munirathinam Nethaji; Akhil R. Chakravarty","An Alkoxo-Hydroxo-Bridged Octanuclear Copper(II) Complex with a Hydrophobic Exterior and a Hydrophilic Metallamacrobicyclic Core Showing Selective Hydrogen-Bonding Interactions","Inorganic Chemistry","1997","36","","6134","6137","10.1021/ic970487l","","","0.7107","MoKa","","0.1086","0.0577","","0.1777","0.1391","","","","1.067","1.069","1.069","","","","","has coordinates,has disorder","179340","2020-10-21","18:00:00",""
"4323724","9.309","0.004","13.597","0.004","14.899","0.005","90","","101.26","0.03","90","","1849.5","1.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 Au3 I2 N3 O3 -","- C9 H18 Au3 I2 N3 O3 -","- C36 H72 Au12 I8 N12 O12 -","4","1","","Jess C. Vickery; Alan L. Balch","X-ray Crystallographic Studies of the Products of Oxidative Additions of Iodine to Cyclic Trinuclear Gold(I) Complexes: Directional Effects for Au-I...I-Au Interactions","Inorganic Chemistry","1997","36","","5978","5983","10.1021/ic970612t","","","0.71073","MoKα","","0.104","0.0639","","0.1577","0.1305","","","","1.043","1.055","1.055","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323725","7.4037","0.0015","9.278","0.002","16.331","0.003","80.77","0.03","78.68","0.03","81.85","0.03","1078.7","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H18 Au3 I4 N3 O3 -","- C9 H18 Au3 I4 N3 O3 -","- C18 H36 Au6 I8 N6 O6 -","2","1","","Jess C. Vickery; Alan L. Balch","X-ray Crystallographic Studies of the Products of Oxidative Additions of Iodine to Cyclic Trinuclear Gold(I) Complexes: Directional Effects for Au-I...I-Au Interactions","Inorganic Chemistry","1997","36","","5978","5983","10.1021/ic970612t","","","0.71073","MoKα","","0.0635","0.0485","","0.1391","0.1228","","","","0.878","0.876","0.876","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323726","14.762","0.004","8.723","0.003","22.278","0.006","90","","91.58","0.02","90","","2867.6","1.5","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Au3 Cl2 I6 N3 O3 -","- C10 H20 Au3 Cl2 I6 N3 O3 -","- C40 H80 Au12 Cl8 I24 N12 O12 -","4","1","","Jess C. Vickery; Alan L. Balch","X-ray Crystallographic Studies of the Products of Oxidative Additions of Iodine to Cyclic Trinuclear Gold(I) Complexes: Directional Effects for Au-I...I-Au Interactions","Inorganic Chemistry","1997","36","","5978","5983","10.1021/ic970612t","","","0.71073","MoKα","","0.0967","0.0549","","0.1365","0.1136","","","","1.029","1.065","1.065","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323727","8.684","0.005","11.144","0.006","15.609","0.007","87.08","","82.63","","83.39","0.01","1487.1","1.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H19 Au3 Cl3 I6 N3 O3 -","- C10 H19 Au3 Cl3 I6 N3 O3 -","- C20 H38 Au6 Cl6 I12 N6 O6 -","2","1","","Jess C. Vickery; Alan L. Balch","X-ray Crystallographic Studies of the Products of Oxidative Additions of Iodine to Cyclic Trinuclear Gold(I) Complexes: Directional Effects for Au-I...I-Au Interactions","Inorganic Chemistry","1997","36","","5978","5983","10.1021/ic970612t","","","1.54178","CuKα","","0.2232","0.1487","","0.4342","0.3578","","","","2.267","2.534","2.534","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323728","11.998","0.001","13.167","0.002","7.449","","90","","90","","90","","1176.8","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","bis(N,N'-Dimethyl-2,4-diaminopentane)dichloroplatinum(II) ?","","- C7 H18 Cl2 N2 Pt -","- C7 H18 Cl2 N2 Pt -","- C28 H72 Cl8 N8 Pt4 -","4","0.5","","Leonardo Cerasino; Kevin M. Williams; Francesco P. Intini; Renzo Cini; Luigi G. Marzilli; Giovanni Natile","Factors Influencing the Configuration and Conformation of Diamine Chelate Rings in Platinum(II) Compounds: 2,4-Bis(methylamino)pentane Complexes","Inorganic Chemistry","1997","36","","6070","6079","10.1021/ic970704i","","","0.71073","MoKα","","0.0343","0.0266","","0.0626","0.0594","","","","1.075","1.115","1.115","","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4323729","8.408","0.004","15.774","0.004","10.19","0.004","90","","102.17","0.03","90","","1321.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(N,N'-Dimethyl-2,4-diaminopentane)diodoplatinum(II)","","- C7 H18 I2 N2 Pt -","- C7 H18 I2 N2 Pt -","- C28 H72 I8 N8 Pt4 -","4","1","","Leonardo Cerasino; Kevin M. Williams; Francesco P. Intini; Renzo Cini; Luigi G. Marzilli; Giovanni Natile","Factors Influencing the Configuration and Conformation of Diamine Chelate Rings in Platinum(II) Compounds: 2,4-Bis(methylamino)pentane Complexes","Inorganic Chemistry","1997","36","","6070","6079","10.1021/ic970704i","","","0.71073","MoKα","","0.083","0.0559","","0.1445","0.1287","","","","1.026","1.085","1.085","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323730","18.333","0.012","20.664","0.014","10.18","0.006","90","","109.65","0.05","90","","3632","4","130","2","130","2","","","","","","","synthetic","3","C 1 c 1","C -2yc","9","DEtTPP","2,3-Diethyl-5,10,15,20-tetraphenylporphyrin","","- C48 H38 N4 -","- C48 H38 N4 -","- C192 H152 N16 -","4","1","","Mathias O. Senge; Werner W. Kalisch","Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution","Inorganic Chemistry","1997","36","","6103","6116","10.1021/ic970765g","","","0.71073","MoKα","","0.0666","0.0515","","0.1598","0.1374","","","","0.792","0.753","0.753","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4323731","14.198","0.009","8.385","0.006","29.227","0.009","90","","90.72","0.04","90","","3479","3","130","2","130","2","","","","","","","synthetic","4","P 1 21/c 1","-P 2ybc","14","Ni(II)DEtTPP","(2,3-Diethyl-5,10,15,20-tetraphenylporphyrinato)nickel(II)","","- C48 H36 N4 Ni -","- C48 H16 N4 Ni -","- C192 H64 N16 Ni4 -","4","1","","Mathias O. Senge; Werner W. Kalisch","Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution","Inorganic Chemistry","1997","36","","6103","6116","10.1021/ic970765g","","","1.54178","CuKα","","0.1275","0.087","","0.2452","0.2124","","","","1.037","1.116","1.116","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323732","13.658","0.004","14.279","0.004","18.569","0.005","92.68","0.02","97.72","0.02","93.52","0.02","3576.2","1.8","120","2","120","2","","","","","","","CDCl3/CH3OH","4","P -1","-P 1","2","Cu(II)DiEt-TPP","(2,3-Diethyl-5,10,15,20-tetraphenylporphyrinato)copper(II)","","- C48 H36 Cu N4 -","- C48 H36 Cu N4 -","- C192 H144 Cu4 N16 -","4","2","","Mathias O. Senge; Werner W. Kalisch","Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution","Inorganic Chemistry","1997","36","","6103","6116","10.1021/ic970765g","","","1.54178","CuKα","","0.0785","0.0528","","0.1377","0.121","","","","1.021","1.055","1.055","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323733","10.033","0.002","16.124","0.004","16.447","0.005","60.94","0.02","83.16","0.02","85.73","0.02","2308.7","1.1","293","2","293","2","","","","","","","synthetic","4","P -1","-P 1","2","Zn(II)DEtTPP(b-pic)","(3-Picoline)(2,3-Diethyl-5,10,15,20-tetraphenyl- porphyrinato)zinc(II)","","- C54 H43 N5 Zn -","- C54 H43 N5 Zn -","- C108 H86 N10 Zn2 -","2","1","","Mathias O. Senge; Werner W. Kalisch","Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution","Inorganic Chemistry","1997","36","","6103","6116","10.1021/ic970765g","","","0.71073","MoKα","","0.0974","0.0681","","0.257","0.2024","","","","0.819","0.805","0.805","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323734","10.387","0.004","10.808","0.005","17.503","0.012","92.19","0.05","95.88","0.04","97.81","0.03","1933.8","1.8","130","2","130","2","","","","","","","synthetic","5","P -1","-P 1","2","Zn(II)DiET-TPP(MeOH)","(Methanol)(2,3-Diethyl-5,10,15,20-tetraphenylporphyrinato)zinc(II)","","- C49 H40 N4 O Zn -","- C49 H39 N4 O Zn -","- C98 H78 N8 O2 Zn2 -","2","1","","Mathias O. Senge; Werner W. Kalisch","Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution","Inorganic Chemistry","1997","36","","6103","6116","10.1021/ic970765g","","","1.54178","CuKα","","0.1112","0.0826","","0.2343","0.2082","","","","1.024","1.073","1.073","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323735","16.992","0.005","16.206","0.003","17.247","0.006","90","","115.66","0.02","90","","4281","2","118","2","118","2","","","","","","","synthetic","4","P 1 21/c 1","-P 2ybc","14","cis-TEt-TPP","2,3,7,8-Tetraethyl-5,10,15,20-tetraphenylporphyrin","","- C54 H54 N4 O2 -","- C54 H46 N4 O2 -","- C216 H184 N16 O8 -","4","1","","Mathias O. Senge; Werner W. Kalisch","Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution","Inorganic Chemistry","1997","36","","6103","6116","10.1021/ic970765g","","","1.54178","CuKα","","0.1005","0.0675","","0.1952","0.1675","","","","1.05","1.101","1.101","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323736","10.602","0.005","13.112","0.007","16.085","0.011","113.53","0.04","92.84","0.06","99.34","0.04","2007","2","293","2","293","2","","","","","","","synthetic","4","P -1","-P 1","2","Ni(II)cTEtTPP","(2,3,7,8-Tetraethyl-5,10,15,20-tetraphenylpoprhyrinato)nickel(II)","","- C52 H44 N4 Ni -","- C52 H44 N4 Ni -","- C104 H88 N8 Ni2 -","2","1","","Mathias O. Senge; Werner W. Kalisch","Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution","Inorganic Chemistry","1997","36","","6103","6116","10.1021/ic970765g","","","0.71073","MoKα","","0.1047","0.0595","","0.1964","0.1455","","","","0.776","0.736","0.736","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323737","10.471","0.003","13.201","0.003","16.211","0.006","113.74","0.02","92.77","0.03","99","0.02","2010.5","1.1","293","2","293","2","","","","","","","synthetic","4","P -1","-P 1","2","Cu(II)cTEtTPP","(2,3,7,8-Tetraethyl-5,10,15,20-tetraphenyl- porphyrinato)copper(II)","","- C52 H44 Cu N4 -","- C52 H44 Cu N4 -","- C104 H88 Cu2 N8 -","2","1","","Mathias O. Senge; Werner W. Kalisch","Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution","Inorganic Chemistry","1997","36","","6103","6116","10.1021/ic970765g","","","0.71073","MoKα","","0.1446","0.0776","","0.221","0.1713","","","","1.025","1.09","1.09","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323738","12.142","0.003","13.794","0.004","15.574","0.005","69.06","0.03","72.05","0.02","69.93","0.02","2236.5","1.2","126","2","126","2","","","","","","","synthetic","4","P -1","-P 1","2","Zn(II)cis-TEtTPP(pyr)","(2,3,7,18-Tetraethyl-5,10,15,20-tetraphenyl- porphyrinato)zinc(II)pyridine","","- C57 H49 N5 Zn -","- C57 H49 N5 Zn -","- C114 H98 N10 Zn2 -","2","1","","Mathias O. Senge; Werner W. Kalisch","Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution","Inorganic Chemistry","1997","36","","6103","6116","10.1021/ic970765g","","","0.71073","MoKα","","0.1189","0.0623","","0.1568","0.1241","","","","1.017","1.046","1.046","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323739","13.531","0.006","28.172","0.011","12.184","0.004","90","","112.55","0.03","90","","4289","3","130","2","130","2","","","","","","","synthetic","4","P 1 21/c 1","-P 2ybc","14","trans-TEt-TPP","2,3,12,13-Tetraethyl-5,10,15,20-tetraphenylporphyrin","","- C53 H48 Cl2 N4 -","- C53 H26 Cl2 N4 -","- C212 H104 Cl8 N16 -","4","1","","Mathias O. Senge; Werner W. Kalisch","Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution","Inorganic Chemistry","1997","36","","6103","6116","10.1021/ic970765g","","","1.54178","CuKα","","0.1746","0.1157","","0.3093","0.2641","","","","1.053","1.162","1.162","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323740","18.087","0.008","12.239","0.003","18.037","0.007","90","","92.67","0.03","90","","3988","3","130","2","130","2","","","","","","","synthetic","4","C 1 2 1","C 2y","5","Ni(II)tTEtTPP","(2,3,12,13-Tetraethyl-5,10,15,20-tetraphenyl- porphrinato)nickel(II)","","- C52 H44 N4 Ni -","- C52 H24 N4 Ni -","- C208 H96 N16 Ni4 -","4","1","","Mathias O. Senge; Werner W. Kalisch","Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution","Inorganic Chemistry","1997","36","","6103","6116","10.1021/ic970765g","","","1.54178","CuKα","","0.0663","0.0624","","0.1696","0.1619","","","","0.959","0.959","0.959","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323741","12.321","0.003","13.429","0.004","13.679","0.004","99.8","0.02","94.14","0.02","105.83","0.02","2128.8","1.1","126","2","126","2","","","","","","","synthetic","5","P -1","-P 1","2","Cu(II)tTEtTPP","(2,3,12,13-Tetraethyl-5,10,15,20-tetraphenyl- porphyrinato)copper(II)","","- C53 H46 Cl2 Cu N4 -","- C53 H46 Cl2 Cu N4 -","- C106 H92 Cl4 Cu2 N8 -","2","1","","Mathias O. Senge; Werner W. Kalisch","Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution","Inorganic Chemistry","1997","36","","6103","6116","10.1021/ic970765g","","","1.54178","CuKα","","0.0797","0.0585","","0.1525","0.1385","","","","1.034","1.078","1.078","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323742","12.8","0.004","13.985","0.006","14.152","0.005","85.08","0.03","68.22","0.03","72.6","0.03","2243.9","1.6","126","2","126","2","","","","","","","synthetic","5","P -1","-P 1","2","Zn(II)tTEtTPP(pyr)","(Pyridine)(2,3,12,13-Tetraethyl-5,10,15,20-tetraphenyl- porphyrinato)zinc(II)","","- C57 H49.8 N5 O0.4 Zn -","- C57 H44 N5 O0.4 Zn -","- C114 H88 N10 O0.8 Zn2 -","2","1","","Mathias O. Senge; Werner W. Kalisch","Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution","Inorganic Chemistry","1997","36","","6103","6116","10.1021/ic970765g","","","1.54178","CuKα","","0.0732","0.0596","","0.1615","0.1486","","","","1.028","1.06","1.06","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323743","11.274","0.004","17.186","0.007","25.339","0.009","90","","98.51","0.03","90","","4856","3","293","2","293","2","","","","","","","synthetic","4","P 1 21/n 1","-P 2yn","14","HEtTPP","2,3,7,8,12,13-Hexaethyl-5,10,15,20-tetraphenylporphyrin","","- C57.3 H56.6 Cl2.6 N4 -","- C57.3 H54 Cl2.6 N4 -","- C229.2 H216 Cl10.4 N16 -","4","1","","Mathias O. Senge; Werner W. Kalisch","Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution","Inorganic Chemistry","1997","36","","6103","6116","10.1021/ic970765g","","","0.71073","MoKα","","0.1617","0.0859","","0.2895","0.2241","","","","1.026","1.115","1.115","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323744","12.735","0.003","12.915","0.003","14.007","0.003","78.37","0.02","68.89","0.02","83.84","0.02","2103.5","0.9","130","2","130","2","","","","","","","synthetic","4","P -1","-P 1","2","Ni(II)HEt-TPP","(2,3,7,8,12,13-Hexaethyl-5,10,15,20-tetraphenylporphyrinato)nickel(II)","","- C56 H52 N4 Ni -","- C56 H52 N4 Ni -","- C112 H104 N8 Ni2 -","2","1","","Mathias O. Senge; Werner W. Kalisch","Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution","Inorganic Chemistry","1997","36","","6103","6116","10.1021/ic970765g","","","1.54178","CuKα","","0.0844","0.068","","0.2014","0.1724","","","","1.037","1.052","1.052","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323745","12.826","0.007","12.92","0.007","14.207","0.007","78.98","0.04","69.02","0.04","84.49","0.05","2157","2","293","2","293","2","","","","","","","synthetic","4","P -1","-P 1","2","Cu(II)HEt-TPP","(2,3,7,8,12,13-Hexaethyl-5,10,15,20-tetraphenylporphyrinato)copper(II)","","- C56 H52 Cu N4 -","- C56 H52 Cu N4 -","- C112 H104 Cu2 N8 -","2","1","","Mathias O. Senge; Werner W. Kalisch","Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution","Inorganic Chemistry","1997","36","","6103","6116","10.1021/ic970765g","","","0.71073","MoKα","","0.146","0.07","","0.1797","0.1296","","","","1.012","1.07","1.07","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323746","17.284","0.005","21.509","0.006","16.118","0.004","90","","111.55","0.02","90","","5573","3","126","2","126","2","","","","","","","","5","C 1 c 1","C -2yc","9","Zn(II)HEtTPP(pyr)","(Pyridine)(2,3,7,8,12,13-Hexaethyl-5,10,15,20- tetraphenylporphyrinato)zinc(II)","","- C63 H61 Cl4 N5 Zn -","- C63 H61 Cl4 N5 Zn -","- C252 H244 Cl16 N20 Zn4 -","4","1","","Mathias O. Senge; Werner W. Kalisch","Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution","Inorganic Chemistry","1997","36","","6103","6116","10.1021/ic970765g","","","0.71073","MoKα","","0.0454","0.0376","","0.0955","0.0875","","","","1.02","1.019","1.019","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323747","12.736","0.003","12.775","0.004","14.214","0.003","79.55","0.02","68.39","0.02","85.21","0.02","2114.1","1","126","2","126","2","","","","","","","synthetic","4","P -1","-P 1","2","Zn(II)HEtTPP","(2,3,7,8,12,13-Hexaethyl-5,10,15,20-tetraphenyl- porphyrinato)zinc(II)","","- C56 H52 N4 Zn -","- C56 H32 N4 Zn -","- C112 H64 N8 Zn2 -","2","1","","Mathias O. Senge; Werner W. Kalisch","Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution","Inorganic Chemistry","1997","36","","6103","6116","10.1021/ic970765g","","","1.54178","CuKα","","0.0677","0.0643","","0.1665","0.1635","","","","1.044","1.066","1.066","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323748","10.533","0.002","17.075","0.004","17.131","0.002","90","","102.79","0.01","90","","3004.6","1","296.2","","296.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Chloro(2-propanoneoximato)bis(2-propanone_oxime)platinum(II)","","","- C18 H40 Cl2 N6 O6 Pt2 -","- C18 H40 Cl2 N6 O6 Pt2 -","- C72 H160 Cl8 N24 O24 Pt8 -","4","1","","Vadim Yu. Kukushkin; Takanori Nishioka; David Tudela; Kiyoshi Isobe; Isamu Kinoshita","Hydrogen-Bonding Patterns in Oxime/Oximato Platinum(II) Species Providing the Formation of One-Dimensional Chains, Two-Dimensional Networks, and Cages","Inorganic Chemistry","1997","36","","6157","6165","10.1021/ic970501u","","","0.7107","MoKα","","","0.0367","","","0.0425","","","","","1.092","1.092","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323749","7.458","0.002","13.298","0.002","10.1","0.002","90","","108.86","0.02","90","","947.9","0.4","296.2","","296.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(2-propanoneoximato)bis(2-propanone oxime)platinum(II) bishydrate","","","- C12 H30 N4 O6 Pt -","- C12 H26 N4 O6 Pt0.5 -","- C24 H52 N8 O12 Pt -","2","0.5","","Vadim Yu. Kukushkin; Takanori Nishioka; David Tudela; Kiyoshi Isobe; Isamu Kinoshita","Hydrogen-Bonding Patterns in Oxime/Oximato Platinum(II) Species Providing the Formation of One-Dimensional Chains, Two-Dimensional Networks, and Cages","Inorganic Chemistry","1997","36","","6157","6165","10.1021/ic970501u","","","0.7107","MoKα","","","0.0259","","","0.0373","","","","","1.135","1.135","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323750","9.922","0.002","12.205","0.002","17.241","0.003","90","","100.35","0.03","90","","2053.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tetrakis(2-propanone oxime)platinum(II) bischloride","","","- C12 H28 Cl2 N4 O4 Pt -","- C12 H28 Cl2 N4 O4 Pt -","- C48 H112 Cl8 N16 O16 Pt4 -","4","1","","Vadim Yu. Kukushkin; Takanori Nishioka; David Tudela; Kiyoshi Isobe; Isamu Kinoshita","Hydrogen-Bonding Patterns in Oxime/Oximato Platinum(II) Species Providing the Formation of One-Dimensional Chains, Two-Dimensional Networks, and Cages","Inorganic Chemistry","1997","36","","6157","6165","10.1021/ic970501u","","","0.71069","MoKα","","0.0147","0.0147","","0.0369","0.0369","","","","1.085","1.085","1.085","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323751","24.936","0.005","12.633","0.003","25.801","0.005","90","","102.86","0.03","90","","7924","3","298","2","183","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C79 H123 B Cl6 P4 Ru -","- C79 H122 B Cl6 P4 Ru -","- C316 H488 B4 Cl24 P16 Ru4 -","4","1","","Rainer F. Winter; Fridmann M. Hornung","The Square Pyramidal Hydride Cation [RuH(dcpe)2]+, dcpe = Bis(dicyclohexylphosphino)ethane. Structures of [RuH(dcpe)2]+[BPh4]-and of the Zwitterionic {(η6-C6H5)BPh3}RuH(dcpe)","Inorganic Chemistry","1997","36","","6197","6204","10.1021/ic970583m","","","0.71073","MoKα","","0.0981","0.062","","0.1694","0.142","","","","1.043","1.13","1.13","","","","","has coordinates,has disorder","179340","2020-10-21","18:00:00",""
"4323752","14.321","0.005","19.716","0.007","17.1","0.005","90","","107.6","","90","","4602","3","293","2","188","3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H70 B Cl P2 Ru -","- C50.5 H69 B Cl P2 Ru -","- C202 H276 B4 Cl4 P8 Ru4 -","4","1","","Rainer F. Winter; Fridmann M. Hornung","The Square Pyramidal Hydride Cation [RuH(dcpe)2]+, dcpe = Bis(dicyclohexylphosphino)ethane. Structures of [RuH(dcpe)2]+[BPh4]-and of the Zwitterionic {(η6-C6H5)BPh3}RuH(dcpe)","Inorganic Chemistry","1997","36","","6197","6204","10.1021/ic970583m","","","0.71073","MoKα","","0.0829","0.0648","","0.1873","0.1639","","","","1.086","1.132","1.132","","","","","has coordinates,has disorder","179340","2020-10-21","18:00:00",""
"4323753","15.571","0.002","10.7425","0.001","19.6549","0.0015","90","","94.741","0.012","90","","3276.5","0.6","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C52 H58 Br6 Cl4 Hg3 O2 P2 Pd2 S4 -","- C52 H58 Br6 Cl4 Hg3 O2 P2 Pd2 S4 -","- C104 H116 Br12 Cl8 Hg6 O4 P4 Pd4 S8 -","2","0.5","","Larry R. Falvello; Juan Forniés; Antonio Martín; Rafael Navarro; Violeta Sicilia; Pablo Villarroya","Reactivity of [M(C^P)(S2C-R)] (M = Pd, Pt; C^P = CH2-C6H4-P(o-tolyl)2-κC,P; R = NMe2, OEt) toward HgX2(X = Br, I). X-ray Crystal Structures of [Pt{CH2-C6H4P(o-tolyl)2-κC,P}(S2CNMe2)HgI(μ-I)]2 and [PdBr(S2COEt){μ-P(o-tolyl)2-C6H4-CH2-}HgBr].0.5HgBr2.C2H4Cl2","Inorganic Chemistry","1997","36","","6166","6171","10.1021/ic970584e","","","0.71073","MoKα","","0.0735","0.041","","0.0964","0.0848","","","","1.064","1.077","1.077","","","","","has coordinates,has disorder","179340","2020-10-21","18:00:00",""
"4323754","21.417","0.004","12.6755","0.0019","19.231","0.004","90","","116.55","0.016","90","","4670.1","1.6","293","","293","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C43 H42 Fe3 Mn2 N2 O13 P2 -","- C43 H42 Fe3 Mn2 N2 O13 P2 -","- C172 H168 Fe12 Mn8 N8 O52 P8 -","4","1","","Boyce E. Collins; Yoshihiro Koide; Cynthia K. Schauer; Peter S. White","Structures, Bonding, Infrared Spectroscopy, and Two-Electron Reduction Potentials of the Coordinated Metallopnictanes Fe3(CO)9(μ3-EMLn)2 (E = P, As, Sb; MLn= Cr(CO)5, MnCp(CO)2)","Inorganic Chemistry","1997","36","","6172","6183","10.1021/ic970786a","","","0.7093","MolybdenumKα","","0.118","0.063","","0.062","0.058","","","","","1.42","1.42","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323755","15.6964","0.0014","8.5234","0.0012","22.072","0.003","90","","92.941","0.009","90","","2949.1","0.6","293","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H10 As2 Fe3 Mn2 O13 -","- C23 H10 As2 Fe6 Mn2 O13 -","- C92 H40 As8 Fe24 Mn8 O52 -","4","1","","Boyce E. Collins; Yoshihiro Koide; Cynthia K. Schauer; Peter S. White","Structures, Bonding, Infrared Spectroscopy, and Two-Electron Reduction Potentials of the Coordinated Metallopnictanes Fe3(CO)9(μ3-EMLn)2 (E = P, As, Sb; MLn= Cr(CO)5, MnCp(CO)2)","Inorganic Chemistry","1997","36","","6172","6183","10.1021/ic970786a","","","0.7093","MolybdenumKα","","0","0","","0","0","","","","","0","0","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323756","17.584","0.003","10.9043","0.0009","15.592","0.003","90","","107.166","0.02","90","","2856.5","0.8","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H10 Fe3 Mn2 O13 Sb2 -","- C23 H10 Fe3 Mn2 O13 Sb2 -","- C92 H40 Fe12 Mn8 O52 Sb8 -","4","1","","Boyce E. Collins; Yoshihiro Koide; Cynthia K. Schauer; Peter S. White","Structures, Bonding, Infrared Spectroscopy, and Two-Electron Reduction Potentials of the Coordinated Metallopnictanes Fe3(CO)9(μ3-EMLn)2 (E = P, As, Sb; MLn= Cr(CO)5, MnCp(CO)2)","Inorganic Chemistry","1997","36","","6172","6183","10.1021/ic970786a","","","0.7093","MolybdenumKα","","0","0","","0","0","","","","","0","0","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323757","8.978","0.003","9.826","0.003","16.615","0.005","96.16","0.03","97.65","0.03","99.7","0.03","1419.2","0.8","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C19 Cr2 Fe3 O19 P2 -","- C19 Cr2 Fe3 O19 P2 -","- C38 Cr4 Fe6 O38 P4 -","2","1","","Boyce E. Collins; Yoshihiro Koide; Cynthia K. Schauer; Peter S. White","Structures, Bonding, Infrared Spectroscopy, and Two-Electron Reduction Potentials of the Coordinated Metallopnictanes Fe3(CO)9(μ3-EMLn)2 (E = P, As, Sb; MLn= Cr(CO)5, MnCp(CO)2)","Inorganic Chemistry","1997","36","","6172","6183","10.1021/ic970786a","","","0.7093","MolybdenumKα","","0.412","0.068","","0.1","0.069","","","","","1.66","1.66","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323758","9.0047","0.0013","10.0693","0.0009","16.776","0.0023","81.948","0.009","76.88","0.02","82.92","0.009","1460.2","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C19 As2 Cr2 Fe3 O19 -","- C19 As2 Cr2 Fe3 O19 -","- C38 As4 Cr4 Fe6 O38 -","2","1","","Boyce E. Collins; Yoshihiro Koide; Cynthia K. Schauer; Peter S. White","Structures, Bonding, Infrared Spectroscopy, and Two-Electron Reduction Potentials of the Coordinated Metallopnictanes Fe3(CO)9(μ3-EMLn)2 (E = P, As, Sb; MLn= Cr(CO)5, MnCp(CO)2)","Inorganic Chemistry","1997","36","","6172","6183","10.1021/ic970786a","","","0.7093","MolybdenumKα","","0","0","","0","0","","","","","0","0","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323759","9.1049","0.0012","10.4578","0.0014","16.242","0.0013","81.519","0.009","83.296","0.009","80.129","0.011","1500.3","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C19 Cr2 Fe3 O19 Sb2 -","- C19 Cr2 Fe3 O19 Sb2 -","- C38 Cr4 Fe6 O38 Sb4 -","2","1","","Boyce E. Collins; Yoshihiro Koide; Cynthia K. Schauer; Peter S. White","Structures, Bonding, Infrared Spectroscopy, and Two-Electron Reduction Potentials of the Coordinated Metallopnictanes Fe3(CO)9(μ3-EMLn)2 (E = P, As, Sb; MLn= Cr(CO)5, MnCp(CO)2)","Inorganic Chemistry","1997","36","","6172","6183","10.1021/ic970786a","","","0.7093","MolybdenumKα","","0","0","","0","0","","","","","0","0","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323760","11.448","0.007","13.097","0.01","11.178","0.007","93.17","0.06","99.51","0.05","92.19","0.05","1648.5","1.9","298.2","","298.2","","","","","","","","","7","P -1","-P 1","2","","","","- C62 H80 Cl2 N4 O4 P4 Ru -","- C62.002 H80.008 Cl2 N4 O4.002 P4 Ru0.5 -","- C62.002 H80.008 Cl2 N4 O4.002 P4 Ru0.5 -","1","0.5","","Jim V. Barkley; Simon J. Higgins; Mark K. McCart; Thomas J. Pounds","Nucleophilic Addition to Complexes of (Ph2P)2CCH2 as a Route to Functionalized, Redox-Active Ruthenium(II)-Diphosphine Complexes","Inorganic Chemistry","1997","36","","6188","6196","10.1021/ic970799o","","","0.7107","MoKα","","","0.0634","","","0.07","","","","","1.737","1.737","","","","","has coordinates","209476","2020-10-21","18:00:00",""
"4323761","9.943","0.002","15.813","0.003","14.559","0.002","90","","97.57","0.015","90","","2269.1","0.7","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Mg N2 -","- C28 H28 Mg N2 -","- C112 H112 Mg4 N8 -","4","1","","William Clegg; Fiona J. Craig; Kenneth W. Henderson; Alan R. Kennedy; Robert E. Mulvey; Paul A. O'Neil; David Reed","Solid State Structures and Dynamic Solution Equilibria of Bis(dibenzylamido)magnesium Complexes: Aggregation Dependence on Stoichiometry and Denticity of Donor Solvent","Inorganic Chemistry","1997","36","","6238","6246","10.1021/ic970912a","","","0.71073","MoKa","","0.0571","0.039","","0.1283","0.103","","","","1.073","1.045","1.045","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323762","11.821","0.003","19.843","0.004","12.464","0.002","90","","106.57","0.01","90","","2802.2","1","295.2","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H72 Mg2 N4 O2 -","- C64 H72 Mg2 N4 O2 -","- C128 H144 Mg4 N8 O4 -","2","0.5","","William Clegg; Fiona J. Craig; Kenneth W. Henderson; Alan R. Kennedy; Robert E. Mulvey; Paul A. O'Neil; David Reed","Solid State Structures and Dynamic Solution Equilibria of Bis(dibenzylamido)magnesium Complexes: Aggregation Dependence on Stoichiometry and Denticity of Donor Solvent","Inorganic Chemistry","1997","36","","6238","6246","10.1021/ic970912a","","","0.71069","MoKα","","0.1036","0.041","","0.055","0.0479","","","","","1.72","1.72","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323763","14.744","0.0006","21.4484","0.0008","66.996","0.003","90","","91.588","0.002","90","","21178.4","1.5","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71.5 H98 Mg2 N10 O2 P2 -","- C71.5 H92 Mg2 N10 O2 P2 -","- C858 H1104 Mg24 N120 O24 P24 -","12","3","","William Clegg; Fiona J. Craig; Kenneth W. Henderson; Alan R. Kennedy; Robert E. Mulvey; Paul A. O'Neil; David Reed","Solid State Structures and Dynamic Solution Equilibria of Bis(dibenzylamido)magnesium Complexes: Aggregation Dependence on Stoichiometry and Denticity of Donor Solvent","Inorganic Chemistry","1997","36","","6238","6246","10.1021/ic970912a","","","0.71073","MoKα","","0.0845","0.0647","","0.1533","0.1429","","","","1.102","1.162","1.162","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4323764","11.494","0.003","11.857","0.002","18.732","0.003","80.24","0.01","87.54","0.02","73.06","0.02","2406.7","0.9","295","","295.2","","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H68 Mg N8 O2 P2 -","- C48 H69 Mg N8 O2 P2 -","- C96 H138 Mg2 N16 O4 P4 -","2","1","","William Clegg; Fiona J. Craig; Kenneth W. Henderson; Alan R. Kennedy; Robert E. Mulvey; Paul A. O'Neil; David Reed","Solid State Structures and Dynamic Solution Equilibria of Bis(dibenzylamido)magnesium Complexes: Aggregation Dependence on Stoichiometry and Denticity of Donor Solvent","Inorganic Chemistry","1997","36","","6238","6246","10.1021/ic970912a","","","0.7107","MoKα","","0.1349","0.0727","","0.1004","0.095","","","","","3.477","3.477","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323765","10.052","0.002","14.698","0.003","20.514","0.004","90","","95.5","0.02","90","","3016.9","1","160","2","160","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H44 Mg N4 -","- C34 H44 Mg N4 -","- C136 H176 Mg4 N16 -","4","0.5","","William Clegg; Fiona J. Craig; Kenneth W. Henderson; Alan R. Kennedy; Robert E. Mulvey; Paul A. O'Neil; David Reed","Solid State Structures and Dynamic Solution Equilibria of Bis(dibenzylamido)magnesium Complexes: Aggregation Dependence on Stoichiometry and Denticity of Donor Solvent","Inorganic Chemistry","1997","36","","6238","6246","10.1021/ic970912a","","","0.71073","MoKα","","0.099","0.0424","","","0.1087","0.1307","","","","","","1.012","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323766","12.44","0.002","14.707","0.003","17.23","0.004","84.413","0.015","82.93","0.009","66.15","0.014","2857.3","1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H12 Ag B F18 N6 -","- C22 H12 Ag B F18 N6 -","- C88 H48 Ag4 B4 F72 N24 -","4","2","","H. V. Rasika Dias; Ziyun Wang; Wiechang Jin","Synthesis and Chemistry of [Hydrotris(3,5-bis(trifluoromethyl)pyrazolyl)borato]silver(I) Complexes","Inorganic Chemistry","1997","36","","6205","6215","10.1021/ic9712028","","","0.71073","MoKα","","0.0379","0.03","","0.0813","0.0758","","","","1.028","1.049","1.049","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323767","8.2544","0.001","15.077","0.002","19.906","0.002","90","","90","","90","","2477.3","0.5","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H8 Ag B F18 N6 -","- C17 H8 Ag B F18 N6 -","- C68 H32 Ag4 B4 F72 N24 -","4","1","","H. V. Rasika Dias; Ziyun Wang; Wiechang Jin","Synthesis and Chemistry of [Hydrotris(3,5-bis(trifluoromethyl)pyrazolyl)borato]silver(I) Complexes","Inorganic Chemistry","1997","36","","6205","6215","10.1021/ic9712028","","","0.71073","MoKα","","0.0353","0.0298","","0.0717","0.0683","","","","1.041","1.059","1.059","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323768","19.849","0.003","15.015","0.003","8.2106","0.0011","90","","90","","90","","2447","0.7","183","2","183","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H6 Ag B F18 N6 -","- C17 H4 Ag B F18 N6 -","- C68 H16 Ag4 B4 F72 N24 -","4","0.5","","H. V. Rasika Dias; Ziyun Wang; Wiechang Jin","Synthesis and Chemistry of [Hydrotris(3,5-bis(trifluoromethyl)pyrazolyl)borato]silver(I) Complexes","Inorganic Chemistry","1997","36","","6205","6215","10.1021/ic9712028","","","0.71073","MoKα","","0.0453","0.0354","","0.0812","0.077","","","","1.094","1.138","1.138","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323769","14.919","0.001","11.275","0.001","18.336","0.002","90","","112.237","0.006","90","","2854.9","0.5","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H10 Ag B F18 N6 -","- C23 H10 Ag B F18 N6 -","- C92 H40 Ag4 B4 F72 N24 -","4","1","","H. V. Rasika Dias; Ziyun Wang; Wiechang Jin","Synthesis and Chemistry of [Hydrotris(3,5-bis(trifluoromethyl)pyrazolyl)borato]silver(I) Complexes","Inorganic Chemistry","1997","36","","6205","6215","10.1021/ic9712028","","","0.71073","MoKα","","0.0442","0.0349","","0.0894","0.0824","","","","1.035","1.056","1.056","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323770","11.938","0.001","23.73","0.003","10.7606","0.0009","90","","103.761","0.006","90","","2960.9","0.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Ag B F18 N7 -","- C20 H13 Ag B F18 N7 -","- C80 H52 Ag4 B4 F72 N28 -","4","1","","H. V. Rasika Dias; Ziyun Wang; Wiechang Jin","Synthesis and Chemistry of [Hydrotris(3,5-bis(trifluoromethyl)pyrazolyl)borato]silver(I) Complexes","Inorganic Chemistry","1997","36","","6205","6215","10.1021/ic9712028","","","0.71073","MoKα","","0.0513","0.0363","","0.092","0.0817","","","","1.062","1.079","1.079","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4324017","9.455","0.002","11.831","0.002","12.772","0.003","110.52","0.03","105.17","0.03","98.63","0.03","1244.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H54 Mo2 N12 O4 S8 -","- C27 H48 Mo2 N12 O4 S8 -","- C27 H48 Mo2 N12 O4 S8 -","1","0.5","","Patricia C. Secrest; Steven J. Geib; N. John Cooper","Conversion of Dinuclear, Diamagnetic [MoV2O3(NCS)8]4- into Mononuclear, Paramagnetic [MoVO(NCS)5]2- through Photolytic Ligand Redistribution","Inorganic Chemistry","1997","36","","4182","4186","10.1021/ic9607898","","","0.71073","MoKα","","0.1044","0.0617","","0.1655","0.1392","","","","1.046","1.106","1.106","","","","","has coordinates,has Fobs","179343","2020-10-21","18:00:00",""
"4324018","15.324","0.002","22.634","0.003","6.8811","0.0007","90","","90","","90","","2386.7","0.5","158","2","158","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C28 H22 N4 O4 Pd -","- C28 H22 N4 O4 Pd -","- C112 H88 N16 O16 Pd4 -","4","0.25","","Ronald F. See; Christopher J. Curtis; Kevin W. McConnell; Seethraman Santhanam; William M. Strub; Joseph W. Ziller","Bonding Forces in Short Hydrogen Bonds. Crystal Structure of PdII(dpgH)2","Inorganic Chemistry","1997","36","","4151","4155","10.1021/ic9701266","","","0.71073","MoKα","","0.079","0.0488","","0.1358","0.1267","","","","1.29","1.423","1.423","","","","","has coordinates,has disorder","179343","2020-10-21","18:00:00",""
"4324019","10.578","0.005","51.154","0.005","9.394","0.004","90","","97.74","0.04","90","","5037","3","297","","297","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- O9 P3 Ru -","- O9 P3 Ru -","- O288 P96 Ru32 -","32","8","","Hideo Imoto; Hiroshi Fukuoka; Shigenori Tsunesawa; Hisaya Horiuchi; Takao Amemiya; Noboru Koga","Preparation and Crystal Structure of Ruthenium Metaphosphate Ru(PO3)3 with an 8-fold Superstructure. Analysis of Structural Frustration with a Simple Model","Inorganic Chemistry","1997","36","","4172","4181","10.1021/ic9701773","","","0.7107","Mo_Kα","","0.081","0.058","","0.05","0.049","","","","","3.67","3.67","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324020","12.2522","0.0002","17.1482","0.0003","15.082","0.0003","90","","92.375","0.001","90","","3166.05","0.1","218","2","218","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N2 Ni P2 S2 -","- C32 H28 N2 Ni P2 S2 -","- C128 H112 N8 Ni4 P8 S8 -","4","1","","Sharada P. Kaiwar; John K. Hsu; Louise M. Liable-Sands; Arnold L. Rheingold; Robert S. Pilato","Synthesis and Properties of Heterocyclic Substituted 1,2-Enedithiolates of Nickel, Palladium, and Platinum","Inorganic Chemistry","1997","36","","4234","4240","10.1021/ic970194s","","","0.71073","MoKα","","0.1058","0.0563","","0.1542","0.1184","","","","0.978","1.183","1.183","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324021","10.76","0.002","12.589","0.003","17.855","0.004","73.45","0.03","81.37","0.03","81.27","0.03","2276.9","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H60 B N10 Ni O4 P3 -","- C42 H58 B N10 Ni O4 P3 -","- C84 H116 B2 N20 Ni2 O8 P6 -","2","1","","Donald J. Darensbourg; Tara J. Decuir; Nicole White Stafford; Jeffrey B. Robertson; Jennifer D. Draper; Joseph H. Reibenspies; Agnes Kathó; Ferenc Joó","Water-Soluble Organometallic Compounds. 6.1Synthesis, Spectral Properties, and Crystal Structures of Complexes of 1,3,5-Triaza-7-phosphaadamantane with Group 10 Metals","Inorganic Chemistry","1997","36","","4218","4226","10.1021/ic970238x","","","1.54178","CuKa","","0.0786","0.0612","","0.198","0.1625","","","","1.002","0.991","0.991","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324022","12.333","0.002","12.333","0.002","26.132","0.006","90","","90","","90","","3974.8","1.3","193","2","193","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C24 H62 Cl4 N12 Ni O5 P4 -","- C24 H62 Cl4 N12 Ni O5 P4 -","- C96 H248 Cl16 N48 Ni4 O20 P16 -","4","0.25","","Donald J. Darensbourg; Tara J. Decuir; Nicole White Stafford; Jeffrey B. Robertson; Jennifer D. Draper; Joseph H. Reibenspies; Agnes Kathó; Ferenc Joó","Water-Soluble Organometallic Compounds. 6.1Synthesis, Spectral Properties, and Crystal Structures of Complexes of 1,3,5-Triaza-7-phosphaadamantane with Group 10 Metals","Inorganic Chemistry","1997","36","","4218","4226","10.1021/ic970238x","","","0.71073","MoKα","","0.164","0.0683","","0.1544","0.1058","","","","1.001","1.119","1.119","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324023","13.813","0.003","21.578","0.006","14.425","0.004","90","","113.43","0.02","90","","3945","1.9","163","2","163","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H114.67 Cl8 N24 O5.34 P8 Pd2 -","- C48 H114.64 Cl8 N24 O5.34 P8 Pd2 -","- C96 H229.28 Cl16 N48 O10.68 P16 Pd4 -","2","0.25","","Donald J. Darensbourg; Tara J. Decuir; Nicole White Stafford; Jeffrey B. Robertson; Jennifer D. Draper; Joseph H. Reibenspies; Agnes Kathó; Ferenc Joó","Water-Soluble Organometallic Compounds. 6.1Synthesis, Spectral Properties, and Crystal Structures of Complexes of 1,3,5-Triaza-7-phosphaadamantane with Group 10 Metals","Inorganic Chemistry","1997","36","","4218","4226","10.1021/ic970238x","","","1.54178","CuKa","","0.1079","0.063","","0.1582","0.1416","","","","1.049","1.134","1.134","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324024","12.755","0.007","7.103","0.003","14.877","0.011","90","","114.93","0.04","90","","1222.3","1.3","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C12 H33 Cl2 N6 O6 P2 Pd -","- C12 H33 Cl2 N6 O6 P2 Pd -","- C24 H66 Cl4 N12 O12 P4 Pd2 -","2","0.5","","Donald J. Darensbourg; Tara J. Decuir; Nicole White Stafford; Jeffrey B. Robertson; Jennifer D. Draper; Joseph H. Reibenspies; Agnes Kathó; Ferenc Joó","Water-Soluble Organometallic Compounds. 6.1Synthesis, Spectral Properties, and Crystal Structures of Complexes of 1,3,5-Triaza-7-phosphaadamantane with Group 10 Metals","Inorganic Chemistry","1997","36","","4218","4226","10.1021/ic970238x","","","0.71073","MoKα","","0.1739","0.1228","","0.5063","0.3249","","","","1.106","1.036","1.036","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324025","12.466","0.003","12.466","0.003","25.855","0.015","90","","90","","90","","4018","3","193","2","193","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C24 H56 Cl4 N12 O2 P4 Pt -","- C24 H56 Cl4 N12 O2 P4 Pt -","- C96 H224 Cl16 N48 O8 P16 Pt4 -","4","0.25","","Donald J. Darensbourg; Tara J. Decuir; Nicole White Stafford; Jeffrey B. Robertson; Jennifer D. Draper; Joseph H. Reibenspies; Agnes Kathó; Ferenc Joó","Water-Soluble Organometallic Compounds. 6.1Synthesis, Spectral Properties, and Crystal Structures of Complexes of 1,3,5-Triaza-7-phosphaadamantane with Group 10 Metals","Inorganic Chemistry","1997","36","","4218","4226","10.1021/ic970238x","","","0.71073","MoKα","","0.1023","0.0701","","0.2281","0.1663","","","","1.035","1.051","1.051","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324026","10.406","0.008","24.22","0.02","9.264","0.004","90","0","92.69","0.05","90","0","2332","3","197","2","197","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H30 Cl4 N6 O2 P2 Pt -","- C12 H30 Cl5 N6 O2 P2 Pt -","- C48 H120 Cl20 N24 O8 P8 Pt4 -","4","0.5","","Donald J. Darensbourg; Tara J. Decuir; Nicole White Stafford; Jeffrey B. Robertson; Jennifer D. Draper; Joseph H. Reibenspies; Agnes Kathó; Ferenc Joó","Water-Soluble Organometallic Compounds. 6.1Synthesis, Spectral Properties, and Crystal Structures of Complexes of 1,3,5-Triaza-7-phosphaadamantane with Group 10 Metals","Inorganic Chemistry","1997","36","","4218","4226","10.1021/ic970238x","","","0.71073","MoKα","","0.0807","0.0779","","0.0839","0.0768","","","","0","5.0123","5.0123","","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4324027","14.7835","0.0009","20.227","0.0012","16.7303","0.001","90","","101.396","0.001","90","","4904.2","0.5","25","","25","2","","","","","","","Crystal grown by electrocrystallization","5","P 1 21/c 1","-P 2ybc","14","Bis(ethylenedithio)tetrathiafulvalenium Tetrakis(pentachlorophenyl)aurate(III)","","","- C34 H8 Au Cl20 S8 -","- C39 Au Cl20 S12 -","- C156 Au4 Cl80 S48 -","4","1","","John A. Schlueter; Urs Geiser; H. Hau Wang; Michael L. VanZile; Shannon B. Fox; Jack M. Williams; Antonio Laguna; Mariano Laguna; Dieter Naumann; Thomas Roy","Electrochemical Synthesis and Crystallization of a Novel Tetraarylaurate Anion: Synthesis, Structure, and Physical Properties of (BEDT-TTF)Au(C6Cl5)4","Inorganic Chemistry","1997","36","","4265","4269","10.1021/ic970274w","","","0.71073","MoKα","","","0.065","","","0.061","","","","","1.629","1.629","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324028","11.887","0.002","13.26","0.002","15.278","0.004","112.27","0.02","109.39","0.02","90.67","0.01","2075.9","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tris[(2-pyridyl)methyl]aminechloromercury(II) tetrachloromercurate(II)","","- C36 H36 Cl6 Hg3 N8 -","- C36 H36 Cl6 Hg3 N8 -","- C72 H72 Cl12 Hg6 N16 -","2","1","","Deborah C. Bebout; David E. Ehmann; Jonathan C. Trinidad; Kathleen K. Crahan; Margaret E. Kastner; Damon A. Parrish","Preparation of Mercury(II) Complexes of Tris[(2-pyridyl)methyl]amine and Characterization by X-ray Crystallography and NMR Spectroscopy","Inorganic Chemistry","1997","36","","4257","4264","10.1021/ic9702779","","","0.71073","MoKα","","0.0819","0.0468","","0.1411","0.1085","","","","0.919","0.943","0.943","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324029","9.735","0.01","10.963","0.002","18.553","0.034","90","","103.81","0.12","90","","1923","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis-tris[(2-pyridyl)methyl]aminemercury(II) perchlorate","","- C36 H36 Cl2 Hg N8 O8 -","- C36 H36 Cl2 Hg N8 O8 -","- C72 H72 Cl4 Hg2 N16 O16 -","2","0.5","","Deborah C. Bebout; David E. Ehmann; Jonathan C. Trinidad; Kathleen K. Crahan; Margaret E. Kastner; Damon A. Parrish","Preparation of Mercury(II) Complexes of Tris[(2-pyridyl)methyl]amine and Characterization by X-ray Crystallography and NMR Spectroscopy","Inorganic Chemistry","1997","36","","4257","4264","10.1021/ic9702779","","","0.71073","MoKα","","0.0471","0.0277","","0.0823","0.07","","","","0.901","1.004","1.004","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4327699","7.5076","0.0002","7.5076","0.0002","15.4444","0.0005","90","","90","","90","","870.51","0.04","293","2","293","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- As2 F12 Mn -","- As2 F12 Mn -","- As8 F48 Mn4 -","4","0.25","","Horst Borrmann; Karel Lutar; Boris Žemva","Manganese(II) Hexafluoroarsenate: Unusually High Coordination of Manganese(II) in a Fluorine Environment","Inorganic Chemistry","1997","36","","880","882","10.1021/ic960814+","","","0.56087","AgKα","","0.0247","0.0235","","0.0617","0.0607","","","","1.117","1.122","1.122","","","","","has coordinates","179379","2020-10-21","18:00:00",""
"4327700","19.286","0.007","12.662","0.006","18.26","0.008","90","","90","","90","","4459","3","150","1","150","1","","","","","","","Reaction of Me4taaH2 + [(Bu-tHN)2Zr(mu-NBu-t)2Zr(NHBu-t)2]","4","P n m a","-P 2ac 2n","62","","[(Me4taa)Zr(mu-NBu-t)2Zr(NHBu-t)2] . C7H8","","- C45 H68 N8 Zr2 -","- C45 H68 N8 Zr2 -","- C180 H272 N32 Zr8 -","4","0.5","","Georgii I. Nikonov; Alexander J. Blake; Philip Mountford","Mononuclear Amido and Binuclear Imido Zirconium Complexes Supported by Dibenzotetraaza[14]annulene Ligands. X-ray Structure of [(Me4taa)Zr(μ-NR)2Zr(NHR)2] (R = Butor 2,6-C6H3Me2)","Inorganic Chemistry","1997","36","","1107","1112","10.1021/ic961209+","","","0.71073","MoKα","","","0.0441","","","0.0434","","","","","0.9519","0.9519","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4327701","25.353","0.011","15.394","0.004","16.423","0.004","90","","123.75","0.02","90","","5329","3","150","1","150","1","","","","","","","Reaction of Me4taaH2 with [Zr2(mu-N-2,6-C6H3Me2)2(NH-2,6-C6H3Me2)4(py)2]","4","C 1 2/c 1","-C 2yc","15","","[(Me4taa)Zr(mu-N-2,6-C6H3Me2)2Zr(NH-2,6-C6H3Me2)2] . (C7H8)","","- C61 H68 N8 Zr2 -","- C61 H68 N8 Zr2 -","- C244 H272 N32 Zr8 -","4","0.5","","Georgii I. Nikonov; Alexander J. Blake; Philip Mountford","Mononuclear Amido and Binuclear Imido Zirconium Complexes Supported by Dibenzotetraaza[14]annulene Ligands. X-ray Structure of [(Me4taa)Zr(μ-NR)2Zr(NHR)2] (R = Butor 2,6-C6H3Me2)","Inorganic Chemistry","1997","36","","1107","1112","10.1021/ic961209+","","","0.71073","MoKα","","","0.0425","","","0.0475","","","","","3.3226","3.3226","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4327702","9.3317","0.0015","20.316","0.002","13.0241","0.001","90","","102.879","0.009","90","","2407","0.5","293","2","293","2","","","","","","","Sr(NH2)2 + 2HSCEt3 in pyridine","5","P 1 21/c 1","-P 2ybc","14","strontium-t-heptylthiolate pyridine ammonia","strontium, bis(3-ethyl-3-pentanethiolato-) pyridine, ammonia complex, homopolymer","","- C19 H38 N2 S2 Sr -","- C19 H38 N2 S2 Sr -","- C76 H152 N8 S8 Sr4 -","4","1","","Andrew P. Purdy; Alan D. Berry; Clifford F. George","Synthesis, Structure, and Thiolysis Reactions of Pyridine Soluble Alkaline Earth and Yttrium Thiolates","Inorganic Chemistry","1997","36","","3370","3375","10.1021/ic970045+","","","0.71073","MoKα","","0.1508","0.0663","","0.1227","0.0947","","","","1.074","1.176","1.176","","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327703","11.5918","0.001","17.328","0.002","18.376","0.002","81.612","0.007","79.546","0.005","78.169","0.007","3530","0.6","293","2","293","2","","","","","","","Y(NH2)3 + 3HSCEt3 in pyridine, recr PhMe","5","P -1","-P 1","2","yttrium-t-heptylthiolate dipyridine dimer","di-yttrium, tetrakis(3-ethyl-3-pentanethiolato-)-bis-(mu-3-ethyl-3- pentanethiolato-)tetrapyridine complex","","- C62 H108 N4 S6 Y2 -","- C62 H108 N4 S6 Y2 -","- C124 H216 N8 S12 Y4 -","2","1","","Andrew P. Purdy; Alan D. Berry; Clifford F. George","Synthesis, Structure, and Thiolysis Reactions of Pyridine Soluble Alkaline Earth and Yttrium Thiolates","Inorganic Chemistry","1997","36","","3370","3375","10.1021/ic970045+","","","0.71073","MoKα","","0.193","0.0758","","0.1631","0.1196","","","","1.025","1.142","1.142","","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327704","14.43","0.003","9.813","0.002","14.37","0.003","90","","90","","90","","2034.8","0.7","208","2","208","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H27 Cl3 N O2 Ta -","- C16 H27 Cl3 N O2 Ta -","- C64 H108 Cl12 N4 O8 Ta4 -","4","1","","Kurt S. Heinselman; Vincent M. Miskowski; Steven J. Geib; Louis C. Wang; Michael D. Hopkins","Molecular Structures and FT-Raman Spectroscopy of Luminescent Niobium and Tantalum Arylimido Compounds","Inorganic Chemistry","1997","36","","5530","5538","10.1021/ic970494+","","","0.71073","MoKα","","0.0247","0.0183","","0.042","0.0396","","","","0.965","0.98","0.98","","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327705","16.722","0.014","15.509","0.013","17.739","0.016","90","","90","","90","","4600","7","208","2","208","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H33 Cl3 N3 Ta -","- C18 H33 Cl3 N3 Ta -","- C144 H264 Cl24 N24 Ta8 -","8","1","","Kurt S. Heinselman; Vincent M. Miskowski; Steven J. Geib; Louis C. Wang; Michael D. Hopkins","Molecular Structures and FT-Raman Spectroscopy of Luminescent Niobium and Tantalum Arylimido Compounds","Inorganic Chemistry","1997","36","","5530","5538","10.1021/ic970494+","","","0.71073","MoKα","","0.0535","0.0327","","0.1228","0.0965","","","","0.835","0.822","0.822","","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327706","10.111","0.002","14.7","0.003","15.931","0.003","90","","91.95","0.03","90","","2366.5","0.8","208","2","208","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 Br3 N3 Ta -","- C18 H33 Br3 N3 Ta -","- C72 H132 Br12 N12 Ta4 -","4","1","","Kurt S. Heinselman; Vincent M. Miskowski; Steven J. Geib; Louis C. Wang; Michael D. Hopkins","Molecular Structures and FT-Raman Spectroscopy of Luminescent Niobium and Tantalum Arylimido Compounds","Inorganic Chemistry","1997","36","","5530","5538","10.1021/ic970494+","","","0.71073","MoKα","","0.0908","0.0521","","0.129","0.1104","","","","1.033","1.093","1.093","","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327707","14.494","0.006","9.819","0.003","14.342","0.004","90","","90","","90","","2041.1","1.2","208","2","208","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H27 Cl3 N Nb O2 -","- C16 H27 Cl3 N Nb O2 -","- C64 H108 Cl12 N4 Nb4 O8 -","4","1","","Kurt S. Heinselman; Vincent M. Miskowski; Steven J. Geib; Louis C. Wang; Michael D. Hopkins","Molecular Structures and FT-Raman Spectroscopy of Luminescent Niobium and Tantalum Arylimido Compounds","Inorganic Chemistry","1997","36","","5530","5538","10.1021/ic970494+","","","0.71073","MoKα","","0.0296","0.0235","","0.0556","0.0522","","","","1.057","1.073","1.073","","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327708","14.847","0.003","22.559","0.005","21.071","0.003","90","","77.74","0.01","90","","6896","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H93 F P2 Si2 -","- C64.98 H92.94 F P2 Si2 -","- C259.92 H371.76 F4 P8 Si8 -","4","1","","Matthias Driess; Hans Pritzkow; Stefan Rell; Rudolf Janoschek","A Facile Synthesis of Diphosphasilacyclopropanes and 1,3-Diphospha-2,4-disilabicyclo[1.1.0]butanes and an ab Initio Study of Diphosphadisilabicyclo[1.1.0]butanes and Their Respective 1,3-Diene Isomers","Inorganic Chemistry","1997","36","","5212","5217","10.1021/ic970580+","","","0.71073","MoKα","","0.1847","0.0859","","0.2704","0.2062","","","","1.035","1.165","1.165","","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4327709","14.845","0.011","24.594","0.019","21.132","0.016","90","","93.88","0.06","90","","7698","10","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77 H123 F Li O3 P2 Si2 -","- C77 H123 F Li O3 P2 Si2 -","- C308 H492 F4 Li4 O12 P8 Si8 -","4","1","","Matthias Driess; Hans Pritzkow; Stefan Rell; Rudolf Janoschek","A Facile Synthesis of Diphosphasilacyclopropanes and 1,3-Diphospha-2,4-disilabicyclo[1.1.0]butanes and an ab Initio Study of Diphosphadisilabicyclo[1.1.0]butanes and Their Respective 1,3-Diene Isomers","Inorganic Chemistry","1997","36","","5212","5217","10.1021/ic970580+","","","0.7107","MoKα","","0.1832","0.0767","","0.2064","0.159","","","","1.022","1.134","1.134","","","","","has coordinates,has disorder","179380","2020-10-21","18:00:00",""
"4331435","21.626","","21.626","","21.46","","90","","90","","120","","8691.86","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","H21 (B3 W39 O132) (H2 O)69","","- B3 O150 W39 -","- B3 O150 W39 -","- B6 O300 W78 -","2","0.166667","","Teze, A.; Herve, G.; Michelon, M.","Syntheses and structures of the tungstoborate anions","Inorganic Chemistry","1997","36","","505","509","10.1021/ic961051t","","","","","","","","","","","","","","","","","","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4350720","14.523","0.002","14.523","0.002","14.523","0.002","84.35","0.01","84.35","0.01","84.35","0.01","3021.3","0.7","298","2","298","2","","","","","","","synthesis","8","R -3 :R","-P 3*","148","","","","- C111.5 H138.5 Cl1.5 F6 Fe6 Li O33 P -","- C111 H102 Cl1.5 F6 Fe6 Li O33 P -","- C111 H102 Cl1.5 F6 Fe6 Li O33 P -","1","0.166667","","Abbati, Gian Luca; Cornia, Andrea; Fabretti, Antonio C.; Malavasi, Wanda; Schenetti, Luisa; Caneschi, Andrea; Gatteschi, Dante","Modulated Magnetic Coupling in Alkoxoiron(III) Rings by Host−Guest Interactions with Alkali Metal Cations","Inorganic Chemistry","1997","36","27","6443","","10.1021/ic970637s","","","0.71069","MoKα","","0.1382","0.0733","","0.253","0.193","","","","1.042","1.245","1.245","","","","","has coordinates,has disorder","239996","2020-10-21","18:00:00",""
"5000052","7.442","0.002","9.4","0.002","14.644","0.003","90","","90","","90","","1024.42","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(+)-Pseudoconhydrine hydrochloride","(2S,5S)-2-Propyl-5-hydroxypyridinium chloride","","- C8 H18 Cl N O -","- C8 H18 Cl N O -","- C32 H72 Cl4 N4 O4 -","4","1","","M.Dockner; N.A.Sasaki; C.Riche; P.Potier","","Liebigs Ann.Chem.","1997","","","1267","","","","","","","","","3","","","3","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5000127","9.1829","0.0008","9.6316","0.0007","47.151","0.013","90","","90","","90","","4170.32","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H71 N O15 -","- C37 H71 N O15 -","- C148 H284 N4 O60 -","4","1","","Stephenson, Gregory A.; Stowell, Oseph G.; Toma, Pascal H.; Pfeiffer, Ralph R.; Byrn, Stephen R.","Solid-State Investigations of Erythromycin A Dihydrate: Structure, NMR Spectroscopy, and Hygroscopicity","Journal of Pharmaceutical Sciences","1997","86","11","1239","1244","10.1021/js9701667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000236","10.424","0.007","17.236","0.012","23.64","0.02","90","","90","","90","","4247.35","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H56 Br N O5 -","- C45 H56 Br N O5 -","- C180 H224 Br4 N4 O20 -","4","1","","Stewart, Michael; Blunt, John W.; Munro, Murray H. G.; Robinson, Ward T.; Hannah, Donald J.","The absolute stereochemistry of the New Zealand shellfish toxin gymnodimine","Tetrahedron Letters","1997","38","27","4889","4890","10.1016/S0040-4039(97)01050-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000269","9.584","0.003","9.584","0.003","18.996","0.003","90","","90","","90","","1744.84","","","","","","","","","","","","","5","P 43","P 4cw","78","","","","- C15 H19 Br2 Cl O2 -","- C15 H19 Br2 Cl O2 -","- C60 H76 Br8 Cl4 O8 -","4","1","","Letizia Ciavatta, Maria; Gavagnin, Margherita; Puliti, Raffaella; Cimino, Guido; Martínez, Eugenia; Ortea, Jesús; Andrea Mattia, Carlo","Dactylallene: A novel dietary C~15~ bromoallene from the Atlantic anaspidean mollusc Aplysia dactylomela","Tetrahedron","1997","53","51","17343","17350","10.1016/S0040-4020(97)10158-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000279","8.574","0.001","11.434","0.001","12.702","0.001","114.14","0.01","92.33","0.01","103.39","0.01","1092.53","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N2 O7 Se -","- C22 H22 N2 O7 Se -","- C44 H44 N4 O14 Se2 -","2","1","","Burton, Jonathan W.; Clark, J. Stephen; Derrer, Sam; Stork, Thomas C.; Bendall, Justin G.; Holmes, Andrew B.","Synthesis of Medium Ring Ethers. 5. The Synthesis of (+)-Laurencin","Journal of the American Chemical Society","1997","119","32","7483","7498","10.1021/ja9709132","","","","","","","","","","","","","","","","","","","","","has coordinates","277867","2022-09-15","08:51:10",""
"5000312","14.892","0.006","15.537","0.006","14.697","0.006","109.82","0.02","97.75","0.02","111.66","0.02","2838.7","2","108","2","108","2","","","","","","","","6","P -1","-P 1","2","","","","- C111 H82 Cl6 Mn10 N6 O36 -","- C110.86 H82 Cl6 Mn10 N6 O36 -","- C110.86 H82 Cl6 Mn10 N6 O36 -","1","0.5","","Eppley, Hilary J.; Aubin, Sheila M. J.; Streib, William E.; Bollinger, John C.; Hendrickson, David N.; Christou, George","Decanuclear Manganese(III) Complexes with the [Mn~10~O~8~]^14+^ Core: Structural and Magnetochemical Characterization of [Mn~10~O~8~(O~2~CPh)~6~(chel)~8~] (chel = pic, dbm)","Inorganic Chemistry","1997","36","1","109","115","10.1021/ic9607548","","","0.71073","MoKα","","0.1898","0.0888","","0.1946","0.1657","","","","1.297","1.661","1.661","","","","","has coordinates,has disorder","277867","2022-09-15","08:51:11",""
"5000373","22.924","0.003","17.721","0.002","18.87","0.002","90","","129.596","0.001","90","","5906.7","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 O12 Ti2 -","- C72 H48 O12 Ti2 -","- C288 H192 O48 Ti8 -","4","0.5","","Grillo, Vincent A.; Seddon, Elisa J.; Grant, Craig M.; Aromí, Guillem; Bollinger, John C.; Folting, Kirsten; Christou, George","Bis(β-diketonate) ligands for the synthesis of bimetallic complexes of Ti^III^, V^III^, Mn^III^ and Fe^III^ with a triple-helix structure","Chemical Communications","1997","","16","1561","1562","10.1039/A702971C","","","0.71069","MoKα","","0.1818","0.0645","","0.1447","0.103","","","","0.947","1.126","1.126","","","","","has coordinates,has disorder","175472","2020-10-21","18:00:00",""
"5000376","18.744","0.003","17.87","0.003","18.608","0.003","90","","95.48","0.01","90","","6204.4","1.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C57 H59 B F25 O P2 Ru -","- C57 H59 B F25 O P2 Ru -","- C228 H236 B4 F100 O4 P8 Ru4 -","4","0.5","","Huang, Dejian; Huffman, John C.; Bollinger, John C.; Eisenstein, Odile; Caulton, Kenneth G.","The First η^2^-CH~2~Cl~2~ Adduct of Ru(II):[RuH(η^2^-CH~2~Cl~2~)(CO)(P^t^Bu~2~Me)~2~][BAr'~4~] (Ar' = 3,5-C~6~H~3~(CF~3~)~2~) and Its RuH(CO)(P^t^Bu~2~Me)~2~ + Precursor","Journal of the American Chemical Society","1997","119","31","7398","7399","10.1021/ja970240n","","","0.71073","MoKα","","0.1632","0.0789","","0.155","0.13","","","","1.264","1.533","1.533","","","","","has coordinates,has disorder","175474","2020-10-21","18:00:00",""
"5000401","11.168","0.002","18.043","0.004","17.746","0.004","90","","108.03","0.03","90","","3400.5","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H60 O P2 Ru Si2 -","- C27 H60 O P2 Ru Si2 -","- C108 H240 O4 P8 Ru4 Si8 -","4","1","","Huang, Dejian; Heyn, Richard H.; Bollinger, John C.; Caulton, Kenneth G.","Oxidative Addition of a Si‒C(sp) Bond to Ruthenium: Synthesis and Reactivity of Ru(SiMe~3~)(C⋮ CSiMe~3~)(CO)(P^t^Bu~2~Me)~2~}","Organometallics","1997","16","3","292","293","10.1021/om9609776","","","0.71073","MoKα","","0.1004","0.0462","","0.0916","0.0737","","","","0.956","1.002","1.002","","","","","has coordinates","175475","2020-10-21","18:00:00",""
"6000001","4.6868","","10.8618","","5.5872","","90","","95.993","","90","","282.87","","","","","","","","","","","","","3","P 1 21/c 1","","","","","","- Ho2 O7 Si2 -","","","","","","Christensen, A. N.; Hazell, R. G.; Hewat, A. W.","Synthesis, crystal growth and structure investigations of rare-earth disilicates and rare-earth oxyapatites","Acta Chemica Scandinavica","1997","51","1","37","43","10.3891/acta.chem.scand.51-0037","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000002","7.248","","7.248","","6.3778","","90","","90","","90","","335.05","","","","","","","","","","","","","3","I 41/a m d","","","","","","- Eu O4 V -","","","","","","Christensen, A. N.; Hazell, R. G.; Hewat, A. W.","Synthesis, crystal growth and structure investigations of rare-earth disilicates and rare-earth oxyapatites","Acta Chemica Scandinavica","1997","51","1","37","43","10.3891/acta.chem.scand.51-0037","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000003","4.6943","","10.8097","","5.5646","","90","","96.037","","90","","280.8","","","","","","","","","","","","","3","P 1 21/c 1","","","","","","- Er2 O7 Si2 -","","","","","","Christensen, A. N.; Hazell, R. G.; Hewat, A. W.","Synthesis, crystal growth and structure investigations of rare-earth disilicates and rare-earth oxyapatites","Acta Chemica Scandinavica","1997","51","1","37","43","10.3891/acta.chem.scand.51-0037","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000004","4.6929","","10.8627","","5.5895","","90","","96.017","","90","","283.37","","","","","","","","","","","","","3","P 1 21/c 1","","","","","","- Ho2 O7 Si2 -","","","","","","Christensen, A. N.; Hazell, R. G.; Hewat, A. W.","Synthesis, crystal growth and structure investigations of rare-earth disilicates and rare-earth oxyapatites","Acta Chemica Scandinavica","1997","51","1","37","43","10.3891/acta.chem.scand.51-0037","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000005","4.6916","","10.8521","","5.5872","","90","","96.04","","90","","282.89","","","","","","","","","","","","","3","P 1 21/c 1","","","","","","- O7 Si2 Y2 -","","","","","","Christensen, A. N.; Hazell, R. G.; Hewat, A. W.","Synthesis, crystal growth and structure investigations of rare-earth disilicates and rare-earth oxyapatites","Acta Chemica Scandinavica","1997","51","1","37","43","10.3891/acta.chem.scand.51-0037","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000006","9.7259","","9.7259","","7.1899","","90","","90","","120","","589","","","","","","","","","","","","","3","P 63/m","","","","","","- La9.33 O26 Si6 -","","","","","","Christensen, A. N.; Hazell, R. G.; Hewat, A. W.","Synthesis, crystal growth and structure investigations of rare-earth disilicates and rare-earth oxyapatites","Acta Chemica Scandinavica","1997","51","1","37","43","10.3891/acta.chem.scand.51-0037","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000007","9.5731","","9.5731","","7.0336","","90","","90","","120","","558.23","","","","","","","","","","","","","3","P 63/m","","","","","","- Nd9.33 O26 Si6 -","","","","","","Christensen, A. N.; Hazell, R. G.; Hewat, A. W.","Synthesis, crystal growth and structure investigations of rare-earth disilicates and rare-earth oxyapatites","Acta Chemica Scandinavica","1997","51","1","37","43","10.3891/acta.chem.scand.51-0037","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000009","13.445","","7.669","","15.018","","90","","113.92","","90","","1415.51","","","","","","","","","","","","","4","C 1 2/c 1","","","","","","- C2 H7 Ba O7.5 -","","","","","","Neder, R.; Burghammer, M.; Schulz, H.; Christensen, A. N.; Krane, H. G.; Bell, A. M. T.; Hewat, A. W.; Altomare, A.","Crystal structure determination of barium oxalate, BaC2O4 3.5H(2)O/D2O","Zeitschrift für Kristallographie","1997","212","4","305","309","10.1524/zkri.1997.212.4.305","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000010","5.8258","","11.9791","","14.905","","90","","90","","90","","1040.19","","","","","","","","","","","","","3","I m m m","","","","","","- Ba6 H26 Mg7 -","","","","","","Gingl, F.; Hewat, A.; Yvon, K.","Orthorhombic Ba~6~Mg~7~H~26~: a new fluoride-related ternary alkaline earth hydride","Journal of Alloys and Compounds","1997","","54","17","20","10.1016/S0925-8388(96)03005-8","","","","","","","","","","","","","","","","","","","","","","188690","2020-10-21","18:00:00",""
"6000011","5.8005","","11.925","","14.836","","90","","90","","90","","1026.22","","","","","","","","","","","","","3","I m m m","","","","","","- Ba6 D26 Mg7 -","","","","","","Gingl, F.; Hewat, A.; Yvon, K.","Orthorhombic Ba~6~Mg~7~H~26~: a new fluoride-related ternary alkaline earth hydride","Journal of Alloys and Compounds","1997","","54","17","20","10.1016/S0925-8388(96)03005-8","","","","","","","","","","","","","","","","","","","","","","188690","2020-10-21","18:00:00",""
"6000013","4.9623","0.0001","4.9623","0.0001","10.7957","0.0003","90","","90","","90","","265.84","","","","","","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- Ba D8 Mg2 Ru -","- Ba D8 Mg2 Ru -","- Ba2 D16 Mg4 Ru2 -","2","0.125","","Huang, B.; Gingl, F.; Fauth, F.; Hewat, A.; Yvon, K.","New tetragonal metal hydrides BaMg~2~TH~8~ (T=Ru, Os) containing octahedral [TH~6~]^4-^ complex anions and hydride anions","Journal of Alloys and Compounds","1997","248","1-2","13","17","10.1016/S0925-8388(96)02501-7","","","","","","","","","","","","","","","","","","","","","has coordinates","203333","2020-10-21","18:00:00",""
"6000014","4.9672","","4.9672","","10.821","","90","","90","","90","","266.99","","","","","","","","","","","","","4","P 42/m m c","","","","","","- Ba D8 Mg2 Os -","- Ba2 D16 Mg4 Os2 -","- Ba2 D16 Mg4 Os2 -","","","","Huang, B.; Gingl, F.; Fauth, F.; Hewat, A.; Yvon, K.","New tetragonal metal hydrides BaMg~2~TH~8~ (T=Ru, Os) containing octahedral [TH~6~]^4-^ complex anions and hydride anions","Journal of Alloys and Compounds","1997","248","1-2","13","17","10.1016/S0925-8388(96)02501-7","","","","","","","","","","","","","","","","","","","","","has coordinates","174704","2020-10-21","18:00:00",""
"6000015","4.9865","0.0001","4.9865","0.0001","10.8625","0.0001","90","","90","","90","","268.47","","","","","","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- Ba H8 Mg2 Os -","- Ba D8 Mg2 Os -","- Ba2 D16 Mg4 Os2 -","2","0.125","","Huang, B.; Gingl, F.; Fauth, F.; Hewat, A.; Yvon, K.","New tetragonal metal hydrides BaMg~2~TH~8~ (T=Ru, Os) containing octahedral [TH~6~]^4-^ complex anions and hydride anions","Journal of Alloys and Compounds","1997","248","1-2","13","17","10.1016/S0925-8388(96)02501-7","","","","","","","","","","","","","","","","","","","","","has coordinates","203332","2020-10-21","18:00:00",""
"6000017","6.4054","","6.4054","","9.5994","","90","","90","","90","","393.86","","","","","","","","","","","","","3","P 4 2 2","","","","","","- H7 La Mg2 -","","","","","","Gingl, F.; Yvon, K.; Vogt, T.; Hewat, A.","Synthesis and crystal structure of tetragonal LnMg~2~H~7~ (Ln=La, Ce), two laves phase hydride derivatives having ordered hydrogen distribution","Journal of Alloys and Compounds","1997","253","54","313","317","10.1016/S0925-8388(96)02992-1","","","","","","","","","","","","","","","","","","","","","","174704","2020-10-21","18:00:00",""
"6000018","6.39","","6.39","","9.5782","","90","","90","","90","","391.1","","","","","","","","","","","","","3","P 4 2 2","","","","","","- D7 La Mg2 -","","","","","","Gingl, F.; Yvon, K.; Vogt, T.; Hewat, A.","Synthesis and crystal structure of tetragonal LnMg~2~H~7~ (Ln=La, Ce), two laves phase hydride derivatives having ordered hydrogen distribution","Journal of Alloys and Compounds","1997","253","54","313","317","10.1016/S0925-8388(96)02992-1","","","","","","","","","","","","","","","","","","","","","","174704","2020-10-21","18:00:00",""
"6000019","6.3663","","6.3663","","9.5226","","90","","90","","90","","385.95","","","","","","","","","","","","","3","P 4 2 2","","","","","","- Ce H7 Mg2 -","","","","","","Gingl, F.; Yvon, K.; Vogt, T.; Hewat, A.","Synthesis and crystal structure of tetragonal LnMg~2~H~7~ (Ln=La, Ce), two laves phase hydride derivatives having ordered hydrogen distribution","Journal of Alloys and Compounds","1997","253","54","313","317","10.1016/S0925-8388(96)02992-1","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000020","6.3501","","6.3501","","9.4957","","90","","90","","90","","382.9","","","","","","","","","","","","","3","P 4 2 2","","","","","","- Ce D7 Mg2 -","","","","","","Gingl, F.; Yvon, K.; Vogt, T.; Hewat, A.","Synthesis and crystal structure of tetragonal LnMg~2~H~7~ (Ln=La, Ce), two laves phase hydride derivatives having ordered hydrogen distribution","Journal of Alloys and Compounds","1997","253","54","313","317","10.1016/S0925-8388(96)02992-1","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000209","28.691","","5.6865","","14.368","","90","","113.22","","90","","2154.28","","","","","","","","","","","","","5","C 1 2/c 1","","","","","","- C12 H16 Mo5 N2 O16 -","","","","","","Lasocha, W.; Schenk, H.","Crystal structure of anilinium pentamolybdate from powder diffraction data. The solution of the crystal structure by direct methods package powsim","Journal of Applied Crystallography","1997","30","","909","913","10.1107/S0021889897003105","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000210","17.179","","3.7757","","10.8571","","90","","115.417","","90","","636.06","","","","","","","","","","","","","4","C 1 2/m 1","","","","","","- H6 Mo3 Na2 O13 -","","","","","","Lasocha, W.; Rafalskalasocha, A.; Schenk, H.","Crystal structure of fibrillar sodium trimolybdate hydrate by powder diffraction method","Crystal Research and Technology","1997","32","","577","584","10.1002/crat.2170320412","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000211","9.214","","9.214","","49.452","","90","","90","","90","","4198.37","","","","","","","","","","","","","4","P 41 21 2","","","","","","- C23 H29 F O6 -","","","","","","Valente, E. J.; Zubkowski, J. D.; Lee, K. S.; Driessen, R. A. J.; Goubitz, K.; Numan, M.; Schenk, H.; Lee, H. J.; Ko, D. H.","9α-fluoro-11β,17α,21-trihydroxy-1,4-pregnadiene-3,20-dione-21-acetate (9-fluoroprednisolone-21-acetate)","Journal of Chemical Crystallography","1997","27","4","219","222","10.1007/BF02575958","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000212","8.833","","3.8207","","15.737","","90","","90","","90","","531.1","","","","","","","","","","","","","4","I m m m","","","","","","- H7.5 Mo3 O13.75 Zn -","","","","","","Lasocha, W.; Surga, W.; Hodorowicz, S.; Schenk, H.","Crystal structure of the fibrillar zinc trimolybdate ZnMo3O10-3.75 H2O by powder diffraction methods","Crystal Research and Technology","1997","32","","455","462","10.1002/crat.2170320313","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000213","14.349","","4.2852","","8.386","","90","","107","","90","","493.11","","","","","","","","","","","","","3","C 1 2/c 1","","","","","","- La2 O6 S -","","","","","","Zhukov, S.; Yatsenko, A.; Chernyshev, V.; Trunov, V.; Tserkovnaya, E.; Antson, O.; Holsa, J.; Baules, P.; Schenk, H.","Structural study of lanthanum oxysulfate (LaO)(2)SO4","Materials Research Bulletin","1997","32","","43","50","10.1016/S0025-5408(96)00159-6","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000546","6.8341","","11.6584","","11.5","","90","","90","","90","","916.26","","","","100","","","","","","","","","3","C m c m","","","","","","- C10 H16 O -","","","","","","Mora, A. J.; Fitch, A. N.","The low-temperature crystal structure of RS-camphor","Journal of Solid State Chemistry","1997","134","","211","214","10.1006/jssc.1997.7648","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000567","5.3979","","6.0931","","5.9852","","90","","103.581","","90","","191.35","","","","","","","","","","","","","3","P 1 21/c 1","","","","","","- Ca D2 O2 -","","","","","","Leinenweber, K.; Partin, D. E.; Schuelke, U.; Okeeffe, M.; von Dreele, R. B.","The structure of high pressure Ca(OD)(2) ii from powder neutron diffraction: Relationship to the ZrO2 and EuI2 structures","Journal of Solid State Chemistry","1997","132","","267","273","10.1006/jssc.1997.7439","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000569","10.3711","","10.3711","","5.5915","","90","","90","","90","","601.42","","","","70","","","","","","","","","4","P 42/n","","","","","","- C H Cl F2 -","","","","","","Binbrek, O. S.; Torrie, B. H.; von Dreele, R.; Powell, B. M.","The two solid phases of chlorodifluoromethane","Molecular Physics","1997","90","","49","54","10.1080/002689797172859","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000570","10.1106","","10.483","","5.5868","","90","","90","","90.319","","592.13","","","","10","","","","","","","","","4","P112/n","","","","","","- C H Cl F2 -","","","","","","Binbrek, O. S.; Torrie, B. H.; von Dreele, R.; Powell, B. M.","The two solid phases of chlorodifluoromethane","Molecular Physics","1997","90","","49","54","10.1080/002689797172859","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000702","9.4729","","9.4729","","3.2414","","90","","90","","90","","290.87","","","","","","","","","","","","","3","I 4/m","","","","","","- As2.5 P1.5 W5 -","","","","","","Charki, F.; Deputier, S.; Benardrocherulle, P.; Guerin, R.; Elghadraoui, E. H.","W5As2.5P1.5: The first one-dimensional vertex-linked W-6 cluster","Journal of Solid State Chemistry","1997","131","","310","316","10.1006/jssc.1997.7386","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000703","10.051","","10.357","","8.131","","108.3","","112.02","","79.75","","743.25","","","","","","","","","","","","","4","P -1","","","","","","- H5.3 N2 O9.65 Zr -","","","","","","Benardrocherulle, P.; Rius, J.; Louer, D.","Structural analysis of zirconium hydroxide nitrate monohydrates by X-ray powder diffraction","Journal of Solid State Chemistry","1997","128","","295","304","10.1006/jssc.1996.7226","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000704","9.18","","10.465","","8.076","","109.58","","98.96","","80.43","","716.62","","","","","","","","","","","","","4","P -1","","","","","","- H4 N2 O9 Zr -","","","","","","Benardrocherulle, P.; Rius, J.; Louer, D.","Structural analysis of zirconium hydroxide nitrate monohydrates by X-ray powder diffraction","Journal of Solid State Chemistry","1997","128","","295","304","10.1006/jssc.1996.7226","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000705","9.4","0.04","11.56","0.08","6.36","0.03","90","","104.1","0.7","90","","670.28","","","","","","","","","","","","","4","","","","","","","- H2.43 O10 V2 Zr2 -","","","","","","Pang, G. S.; Feng, S. H.; Gao, Z. M.; Xu, Y. H.; Zhao, C. Y.; Xu, R. R.","Hydrothermal synthesis and characterization of a novel mixed-valence oxide, HxV2Zr2O9 .H2O, x=0.43","Journal of Solid State Chemistry","1997","128","","313","317","10.1006/jssc.1996.7206","","","","","","","","","","","","","","","","","","","","","","203575","2020-10-21","18:00:00",""
"6000712","14.631","0.002","14.631","0.002","6.662","0.001","90","","90","","90","","1426.11","","","","","","","","","","","","","5","I 4/m","-I 4","87","","","","- Cl H4 O6 P U -","- Cl H4 O6 P U -","- Cl8 H32 O48 P8 U8 -","8","0.5","","Benardrocherulle, P.; Louer, M.; Louer, D.; Dacheux, N.; Brandel, V.; Genet, M.","Structure determination of uranium halogenide phosphates UXPO4 .2H(2)O (X = Cl, Br) from powder diffraction data","Journal of Solid State Chemistry","1997","132","","315","322","10.1006/jssc.1997.7466","powder diffraction","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","277869","2022-09-15","09:06:00",""
"6000713","14.748","0.0007","14.748","0.0007","6.681","0.0004","90","","90","","90","","1453.14","","","","","","","","","","","","","5","I 4/m","-I 4","87","","","","- Br H4 O6 P U -","- Br H4 O6 P U -","- Br8 H32 O48 P8 U8 -","8","0.5","","Benardrocherulle, P.; Louer, M.; Louer, D.; Dacheux, N.; Brandel, V.; Genet, M.","Structure determination of uranium halogenide phosphates UXPO4 .2H(2)O (X = Cl, Br) from powder diffraction data","Journal of Solid State Chemistry","1997","132","","315","322","10.1006/jssc.1997.7466","powder diffraction","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","277869","2022-09-15","09:06:00",""
"6000724","21.472","","8.027","","15.413","","90","","90.45","","90","","2656.44","","","","","","","","","","","","","5","P 1 2/c 1","","","","","","- Ag2 Ce H2 N5 O16 -","","","","","","Audebrand, N.; Auffredic, J. P.; Louer, D.","Structure of Ag2Ce(H2O)(NO3)(5) and its thermal decomposition studied by temperature-dependent X-ray powder diffraction","Journal of Solid State Chemistry","1997","132","","361","371","10.1006/jssc.1997.7475","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000725","13.71","","10.715","","6.947","","90","","90","","90","","1020.53","","","","","","","","","","","","","4","P n m a","","","","","","- Br3 Co H15 N5 -","","","","","","Wu, H. X.; Ma, L. D.; Shen, X. L.; Shi, G. S.","Research on obtaining the refined X-ray powder diffraction pattern and indices of [Co(NH3)(5)Br]Br2","Gaodeng Xuexiao Huaxue Xuebao","1997","18","","1414","1419","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000726","8.713","","9.007","","7.006","","90","","90","","90","","549.82","","","","","","","","","","","","","4","P n n m","","","","","","- Li3 N4 Nb Sr2 -","","","","","","Chen, X. Z.; Eick, H. A.","Synthesis and structure of two new quaternary nitrides: Li3Sr2MN4 (M=Nb, Ta)","Journal of Solid State Chemistry","1997","130","","1","8","10.1006/jssc.1996.7202","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000727","8.7","","9.004","","7","","90","","90","","90","","548.34","","","","","","","","","","","","","4","P n n m","","","","","","- Li3 N4 Sr2 Ta -","","","","","","Chen, X. Z.; Eick, H. A.","Synthesis and structure of two new quaternary nitrides: Li3Sr2MN4 (M=Nb, Ta)","Journal of Solid State Chemistry","1997","130","","1","8","10.1006/jssc.1996.7202","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000747","9.9041","","9.886","","13.09","","90","","90","","90","","1281.67","","","","","","","","","","","","","6","I 2 2 2","","","","","","- Al10 Cl2 H16 K12 O48 Si10 -","","","","","","Christensen, A. N.; Fjellvag, H.","Crystal structure determination of zeolite n from synchrotron X-ray powder diffraction data","Acta Chemica Scandinavica","1997","51","","969","973","10.3891/acta.chem.scand.51-0969","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000783","17.459","","6.8451","","8.1438","","90","","101.247","","90","","954.56","","","","","","","","","","","","","4","C 1 2/c 1","","","","","","- O12 P3 Pb0.5 Th2 -","","","","","","Elyacoubi, A.; Brochu, R.; Serghini, A.; Louer, M.; Talbi, M. A.; Louer, D.","Synthesis and structural study from X-ray powder diffraction of Pb0.5Th2(PO4)(3)","Powder Diffraction","1997","12","","76","80","10.1017/S0885715600009465","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7117906","17.126","","11.424","","18.441","","90","","116.54","","90","","3227.74","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Co (N S F2 N S (O) F2)4) (As F6)2 S O2","","- As2 Co F28 N8 O6 S9 -","- As2 Co F28 N8 O6 S9 -","- As8 Co4 F112 N32 O24 S36 -","4","1","","Hoppenheit, R.; Lork, E.; Petersen, J.; Mews, R.","A sulfur nitrogen triple, double and single bond in one ligand: synthesis and structure of (Co (N S F2 N S (O) F2)4) (As F6)2 S O2","Chemical Communications","1997","1997","","1659","1660","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7209316","6.642","","11.536","","21.98","","90","","92.52","","90","","1682.53","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ag Sr (B7 O12)","","- Ag B7 O12 Sr -","- Ag B7 O12 Sr -","- Ag8 B56 O96 Sr8 -","8","1","","Wiesch, A.; Bluhm, K.","Ag Sr (B7 O12): Das erste wasserfreie quarternaere Silber(I)-Borat mit vierfach koordiniertem Silber und einem neuartigen Boratanion","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","227","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209361","6.5275","","6.5275","","8.55","","90","","90","","90","","364.301","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Ag2 Si.962 P1.962","","- Ag2 P1.962 Si0.962 -","- Ag2 P1.962 Si0.962 -","- Ag8 P7.848 Si3.848 -","4","0.25","","Jeitschko, W.; Kaiser, P.","Preparation and crystal structures of the ternary compounds Ag2 Si P2 and Au Si P","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","462","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","180424","2020-10-21","18:00:00",""
"7209396","3.459","","3.459","","17.2","","90","","90","","120","","178.222","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","Au Si0.92 P0.96","","- Au P0.96 Si0.92 -","- Au P0.96 Si0.92 -","- Au3 P2.88 Si2.76 -","3","0.166667","","Jeitschko, W.; Kaiser, P.","Preparation and crystal structures of the ternary compounds Ag2 Si P2 and Au Si P","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","462","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209459","12.4282","","4.1675","","9.2076","","90","","90","","90","","476.903","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sr2 Cl (B N2)","","- B Cl N2 Sr2 -","- B Cl N2 Sr2 -","- B4 Cl4 N8 Sr8 -","4","0.5","","Meyer, H.J.; Reckeweg, O.","Asymmetric B N3-ions in the structures of Ca2 Cl B N2 and Sr2 Cl B N2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","340","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209474","9.725","","12.72","","4.874","","90","","119.8","","90","","523.196","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Zn3 (B O3) (P O4)","","- B O7 P Zn3 -","- B O7 P Zn3 -","- B4 O28 P4 Zn12 -","4","1","","Park, C.-H.; Bluhm, K.","Die Synthese und Kristallstruktur des Borat-Phosphats: alpha - Zn3 (B O3) (P O4)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","102","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7222954","9.192","","9.692","","9.807","","90","","90","","90","","873.694","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","K Al2 (P O4)2 (O D) (D2 O)2","","- Al2 D5 K O11 P2 -","- Al2 D5 K O11 P2 -","- Al8 D20 K4 O44 P8 -","4","1","","Dick, S.; Ohms, G.; Grossmann, G.; Mueller, M.","Aluminiumphosphate mit azentrischen Schicht- und Raumnetzstrukturen aus topologisch verwandten Motiven: 2. K Al2 (P O4)2 (O H) * 2(H2 O)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","1447","1455","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7228358","8.767","0.003","8.767","0.003","15.956","0.003","90","","90","","90","","1226.4","0.6","","","293","","","","","","","","","6","I -4","I -4","82","","","","- Ag Ge4 H4 O2 Rb3 Se10 -","- Ag Ge4 O2 Rb3 Se10 -","- Ag2 Ge8 O4 Rb6 Se20 -","2","0.25","","Loose, Anja; Sheldrick, William S.","Quaternary Selenidogermanates(IV) A3[AgGe4Se10].2H2O and A2[MnGe4Se10].3H2O (A = Rb, Cs) with Open Framework Structures","Zeitschrift fur Naturforschung B","1997","52","","687","602","10.1515/znb-1997-0604","","x-ray","0.71069","MoKα","","","0.036","","","0.079","","","","","","","0.841","","","","has coordinates","197150","2020-10-21","18:00:00",""
"7228359","8.956","0.001","8.956","0.001","16.036","0.003","90","","90","","90","","1286.2","0.3","","","293","","","","","","","","","6","I -4","I -4","82","","","","- Ag Cs3 Ge4 H4 O2 Se10 -","- Ag Cs3 Ge4 O2 Se10 -","- Ag2 Cs6 Ge8 O4 Se20 -","2","0.25","","Loose, Anja; Sheldrick, William S.","Quaternary Selenidogermanates(IV) A3[AgGe4Se10].2H2O and A2[MnGe4Se10].3H2O (A = Rb, Cs) with Open Framework Structures","Zeitschrift fur Naturforschung B","1997","52","","687","602","10.1515/znb-1997-0604","","x-ray","0.71069","MoKα","","","0.057","","","0.139","","","","","","","0.996","","","","has coordinates","197151","2020-10-21","18:00:00",""
"7228360","8.886","0.003","8.886","0.003","15.433","0.008","90","","90","","90","","1218.6","0.9","","","293","","","","","","","","","6","I -4","I -4","82","","","","- Ge4 H6 Mn O3 Rb2 Se10 -","- Ge4 Mn O3.02 Rb1.98 Se10 -","- Ge8 Mn2 O6.04 Rb3.96 Se20 -","2","0.25","","Loose, Anja; Sheldrick, William S.","Quaternary Selenidogermanates(IV) A3[AgGe4Se10].2H2O and A2[MnGe4Se10].3H2O (A = Rb, Cs) with Open Framework Structures","Zeitschrift fur Naturforschung B","1997","52","","687","602","10.1515/znb-1997-0604","","x-ray","0.71069","MoKα","","","0.071","","","0.169","","","","","","","0.963","","","","has coordinates","197152","2020-10-21","18:00:00",""
"7228361","8.859","0.001","8.859","0.001","15.448","0.003","90","","90","","90","","1212.4","0.3","","","293","","","","","","","","","6","I -4","I -4","82","","","","- Cs2 Ge4 H6 Mn O3 Se10 -","- Cs2 Ge4 Mn O3 Se10 -","- Cs4 Ge8 Mn2 O6 Se20 -","2","0.25","","Loose, Anja; Sheldrick, William S.","Quaternary Selenidogermanates(IV) A3[AgGe4Se10].2H2O and A2[MnGe4Se10].3H2O (A = Rb, Cs) with Open Framework Structures","Zeitschrift fur Naturforschung B","1997","52","","687","602","10.1515/znb-1997-0604","","x-ray","0.71069","MoKα","","","0.045","","","0.113","","","","","","","1.01","","","","has coordinates","197153","2020-10-21","18:00:00",""
"8103383","6.18","","6.18","","11.051","","90","","90","","90","","422.064","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Silver aluminium lanthanum (0.6/3.4/1)","","- Ag0.553 Al3.447 La -","- Ag0.5485 Al3.4515 La -","- Ag2.194 Al13.806 La4 -","4","0.25","","Cordier, G.; Doersam, G.; Dietrich, C.","Crystal structure of lanthanum silver aluminium, LaAg0.6Al3.4","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","288","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103393","7.0524","","7.0524","","4.1387","","90","","90","","120","","178.266","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Yb Ag Ge","","- Ag Ge Yb -","- Ag Ge Yb -","- Ag3 Ge3 Yb3 -","3","0.25","","Kremer, R.K.; Gibson, B.; Poettgen, R.","Crystal structure of ytterbium silver germanide, Yb Ag Ge","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","58","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103394","8.953","","4.196","","10.817","","90","","111.48","","90","","378.136","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Rb Ag Hf Te3","","- Ag Hf Rb Te3 -","- Ag Hf Rb Te3 -","- Ag2 Hf2 Rb2 Te6 -","2","0.5","","Ibers, J.A.; Pell, M.A.; Kleyn, A.G.","Crystal structure of rubidium silver hafnium telluride, Rb Ag Hf Te3","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","92","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103396","9.813","","7.694","","5.964","","90","","90","","90","","450.289","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","K2 (Ag P)","","- Ag K2 P -","- Ag K2 P -","- Ag4 K8 P4 -","4","0.25","","Somer, M.; Asbrand, M.; Eisenmann, B.","Crystal structure of dipotassium catena-phosphidoargentate(I): K2 (Ag P)","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","78","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103421","16.61","","4.384","","8.759","","90","","115.55","","90","","575.443","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","K (Ag3 Se2)","","- Ag3 K Se2 -","- Ag3 K Se2 -","- Ag12 K4 Se8 -","4","0.5","","Duerichen, P.; Bensch, W.","Crystal structure of potassium diselenotriargentate, K Ag3 Se2","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","97","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103430","4.3043","","4.3043","","4.4749","","90","","90","","120","","71.799","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Eu (Au0.54 Ge1.46)","","- Au0.54 Eu Ge1.46 -","- Au0.54 Eu Ge1.46 -","- Au0.54 Eu Ge1.46 -","1","0.0416667","","Grin', Yu.; Poettgen, R.","Die Kristallstrukturen von Eu5 Si3, Eu Zn Ga und Eu Au.54 Ge1.46","Zeitschrift fuer Kristallographie, Supplement Issue","1997","12","","137","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103478","17.72","","11.113","","12.486","","90","","97.56","","90","","2437.4","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Y4 Br6 B","","- B Br6 Y4 -","- B Br6 Y4 -","- B8 Br48 Y32 -","8","1","","Simon, A.; Mattausch, H.J.","Crystal structure of tetrayttrium hexabromide monoboride, Y6 Br4 B","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","99","99","10.1524/zkri.1997.212.2.99","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103842","8.6018","","8.6018","","14.601","","90","","90","","120","","935.604","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","(C H3)2 N H2 Pb Br3","","- C2 H8 Br3 N Pb -","- C1.999 Br3 N1.0011 Pb -","- C7.996 Br12 N4.0044 Pb4 -","4","0.166667","","Geselle, M.; Fuess, H.","Crystal structure of dimethylammonium tribromoplumbate(II), (C H3)2 N H2 Pb Br3","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","234","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103843","3.7113","","3.7113","","6.4878","","90","","90","","120","","77.389","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","(Lu1.33 Yb0.67) O2 S","","- Lu1.33 O2 S Yb0.67 -","- Lu1.33 O2 S Yb0.67 -","- Lu1.33 O2 S Yb0.67 -","1","0.0833333","","Li, P.-Y.; Range, K.J.; Andratschke, M.","Crystal structure of lutetium ytterbium oxide sulfide, (Lu1.33 Yb0.67) O2 S","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","49","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103844","13.941","","17.599","","7.441","","90","","90","","90","","1825.63","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","(Pb Cl2)2 (S O (C H3)2)3","","- C6 H18 Cl4 O3 Pb2 S3 -","- C6 Cl4 O3 Pb2 S3 -","- C24 Cl16 O12 Pb8 S12 -","4","0.5","","Geselle, M.; Fuess, H.","Crystal structure of bis-Lead(II)chloride tris-dimethylsulphoxide, (Pb Cl2)2 (S O (C H3)2)3","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","236","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","161376","2020-10-21","18:00:00",""
"8103860","5.763","","5.763","","27.696","","90","","90","","120","","796.608","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","K4 (Hg As2)","","- As2 Hg K4 -","- As2 Hg K4 -","- As6 Hg3 K12 -","3","0.0833333","","Asbrand, M.; Eisenmann, B.; Somer, M.","Crystal structure of tetrapotassium diarsenidomercurate(II): K4 (Hg As2)","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","79","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103861","10.203","","10.203","","10.203","","90","","90","","90","","1062.15","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sr6 (Cu4.8 Fe7.2) Fe S27","","- Cu4.8 Fe8.2 S27 Sr6 -","- Cu4.8 Fe8.2 S27 Sr6 -","- Cu4.8 Fe8.2 S27 Sr6 -","1","0.0208333","","Llanos, J.; Peters, K.; Rojas, D.; Mujica, C.; Peters, E.M.; von Schnering, H.G.","Crystal structure of hexastrontium dodecacopper tridecairon heptacosasulfide Sr6 Cu12 Fe13 S27","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","296","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","161582","2020-10-21","18:00:00",""
"8103868","9.4395","","3.9538","","15.3744","","90","","90","","90","","573.802","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","In Mg Br3","","- Br3 In Mg -","- Br3 In Mg -","- Br12 In4 Mg4 -","4","0.5","","Scholten, M.; Dronskowski, R.","Crystal structure of indium magnesium tribromide, In Mg Br3","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","5","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103914","7.5653","","4.2553","","5.7667","","90","","90","","90","","185.645","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Yb Cu","","- Cu Yb -","- Cu Yb -","- Cu4 Yb4 -","4","0.5","","Belan, B.D.; Bodak, O.I.; Cerny, R.; Pacheco, J.V.; Yvon, K.","Crystal structure of ytterbium copper, YbCu.","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","508","508","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103920","8.415","","5.546","","10.349","","90","","90","","90","","482.984","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb2 (P H)","","- H P Rb2 -","- P Rb2 -","- P4 Rb8 -","4","0.5","","Somer, M.; Peters, K.; Carrillo-Cabrera, W.; von Schnering, H.G.; Peters, E.M.","Crystal structure of dirubidium hydrogenphosphide, Rb2(PH)","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","299","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103921","5.528","","5.528","","13.606","","90","","90","","120","","360.078","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 As (B O3)","","- As B Ba3 O3 -","- As B Ba3 O3 -","- As2 B2 Ba6 O6 -","2","0.0833333","","Somer, M.; von Schnering, H.G.; Curda, J.; Carrillo-Cabrera, W.; Peters, K.","Crystal structure of tribarium arsenide borate, Ba3 As (B O3)","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","300","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103931","8.056","","8.056","","5.3332","","90","","90","","90","","346.12","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","(Sr La) Ga3 O7","","- Ga3 La O7 Sr -","- Ga3 La0.988 O7 Sr1.012 -","- Ga6 La1.976 O14 Sr2.024 -","2","0.25","","Steins, M.; Schmitz, W.; Doerschel, J.; Uecker, R.","Crystal structure of strontium lanthanum trigallium heptoxide, (Sr0.5 La0.5)2 Ga3 O7","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","76","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103933","5.4682","","5.4682","","7.729","","90","","90","","90","","231.106","","","","","","","","","","","","","5","I -4","I -4","82","","(La0.272 Sr0.728) (Al0.648 Ta0.352) O3","","- Al0.648 La0.272 O3 Sr0.728 Ta0.352 -","- Al0.649 La0.27 O3 Sr0.73 Ta0.351 -","- Al2.596 La1.08 O12 Sr2.92 Ta1.404 -","4","0.5","","Steins, M.; Doerschel, J.; Reiche, P.","Aluminium lanthanum strontium tantalum oxide","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","77","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","162330","2020-10-21","18:00:00",""
"8103935","6.589","","6.589","","9.236","","90","","90","","120","","347.259","","","","","","","","","","","","","6","P -6 2 m","P -6 -2","189","","Sm (Au (C N)2)3 (H2 O)2.6","","- C6 H5.2 Au3 N6 O2.6 Sm -","- C6 Au3 N6 O2.55 Sm -","- C6 Au3 N6 O2.55 Sm -","1","0.0833333","","Stier, A.; Range, K.J.","Crystal structure of Samarium-tris-dicyanoaurate(I)-hydrate Sm (Au (C N)2)3 . 2.6 H2 O","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","51","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103938","11.484","","8.719","","13.871","","90","","90","","90","","1388.89","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Li (B3 P O6 (O H)3)","","- B3 H3 Li O9 P -","- B3 H3 Li O9 P -","- B24 H24 Li8 O72 P8 -","8","1","","Hauf, C.; Kniep, R.","Crystal Structure of lithium catena-(monoboro-mono-dihydrogendiboratemonohydrogenphosph te), Li (B3 P O6 (O H)3)","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","313","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103943","6.6923","","9.588","","10.622","","63.704","","84.68","","76.187","","593.3","","","","","","","","","","","","","4","P -1","-P 1","2","","(Gd (H2 O)4) (N O3)3 (H2 O)","","- Gd H10 N3 O14 -","- Gd N3 O14 -","- Gd2 N6 O28 -","2","1","","Stockhause, S.; Meyer, G.","Crystal structure of gadolinium trinitrate pentahydrate, (Gd (N O3)3 (H2 O)4) (H2 O)","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","315","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103946","10.712","","11.289","","7.7052","","90","","90","","90","","931.773","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","K3 (Sb S4)","","- K3 S4 Sb -","- K3 S4 Sb -","- K12 S16 Sb4 -","4","0.5","","Bensch, W.; Duerichen, P.","Crystal structure of a new modification of potassium tetrathioantimonate, beta-K3SbS4","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","95","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103972","17.186","","7.413","","6.663","","90","","95.39","","90","","845.112","","","","","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","Ca Zn2 (P O4)2 (H2 O)2","","- Ca H4 O10 P2 Zn2 -","- Ca O10 P2 Zn2 -","- Ca4 O40 P8 Zn8 -","4","0.5","","Taxer, K.J.; Bartl, H.","Die ""geordnete gemittelte"" Kristallstruktur von Parascholzit. Zur Dimorphie von Ca Zn2 (P O4)2 . 2(H2 O), Parascholzit-Scholzit.","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","197","202","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103974","10.1926","","10.1926","","12.2177","","90","","90","","90","","1269.29","","","","","","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- Na2 Se4 -","- Na2 Se4 -","- Na16 Se32 -","8","0.5","","Boettcher, P.; Roensch, E.; Getzschmann, J.","Crystal structure of dinatriumtetraselenide, Na2 Se4","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","87","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103976","15.468","","15.468","","14.005","","90","","90","","90","","3350.82","","","","","","","","","","","","","7","I 41/a :2","-I 4ad","88","","Cs4 (Te4 (Re (C N)3)4) (H2 O)4","","- C12 H8 Cs4 N12 O4 Re4 Te4 -","- C12 H8 Cs4 N12 O4 Re4 Te4 -","- C48 H32 Cs16 N48 O16 Re16 Te16 -","4","0.25","","Mironov, Yu.V.; Albrecht-Schmitt, T.E.; Ibers, J.A.","Crystal structure of dodecacyano-tetra-mu3-tellurorhenate(IV) tetrahydrate, Cs4 (Re4 Te4 (C N)12) (H2 O)4","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","308","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","200426","2020-10-21","18:00:00",""
"8103978","11.0148","","11.0148","","11.0148","","90","","90","","90","","1336.38","","","","","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","Rb3 Cu4 Tm2 Br13","","- Br13 Cu4 Rb3 Tm2 -","- Br13 Cu4 Rb3 Tm2 -","- Br26 Cu8 Rb6 Tm4 -","2","0.0833333","","Bohnsack, A.; Meyer, G.","Crystal structure of trirubidium tetracopper(I) dithulium(III) tridecabromide, Rb3 Cu4 Tm2 Br13","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","1","1","","","","","","","","","","","","","","","","","","","","","","has coordinates","162734","2020-10-21","18:00:00",""
"8103979","7.699","","7.699","","11.032","","90","","90","","90","","653.917","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Rb2 Li Dy Br6","","- Br6 Dy Li Rb2 -","- Br6 Dy Li Rb2 -","- Br12 Dy2 Li2 Rb4 -","2","0.0625","","Bohnsack, A.; Meyer, G.","Crystal structure of dirubidium lithium dysprosium(III) hexabromide, Rb2 Li Dy Br6","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","2","2","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104002","6.344","","7.022","","7.237","","63.18","","71.52","","74.31","","269.765","","","","","","","","","","","","","4","P -1","-P 1","2","","Cu (Re O4)2 (H2 O)4","","- Cu H8 O12 Re2 -","- Cu H8 O12 Re2 -","- Cu H8 O12 Re2 -","1","0.5","","Mujica, C.; von Schnering, H.G.; Peters, K.; Peters, E.M.","Crystal structure of tetraaquabis(perrhenoato)copper(II), Cu (Re O4)2 (H2 O)4","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","294","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104003","6.658","","6.763","","7.161","","65.38","","70.27","","71.65","","270.147","","","","","","","","","","","","","4","P -1","-P 1","2","","(Ni (H2 O)4) (Re O4)2","","- H8 Ni O12 Re2 -","- H8 Ni O12 Re2 -","- H8 Ni O12 Re2 -","1","0.5","","Mujica, C.; Peters, K.; von Schnering, H.G.; Peters, E.M.","Crystal structure of tetraaquabis(perrhenato)nickel(II)","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","295","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104005","7.593","","13.805","","12.907","","90","","102.76","","90","","1319.52","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(La (H2 O)3) (Re O4)3","","- H6 La O15 Re3 -","- La O15 Re3 -","- La4 O60 Re12 -","4","1","","Mujica, C.; Peters, E.M.; Peters, K.; von Schnering, H.G.","Crystal structure of triaquatris(perrhenato)lanthanum(III), La3 (Re O4)3 (H2 O)3","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","297","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104016","7.829","","7.829","","4.585","","90","","90","","120","","243.379","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Na Sr As","","- As Na Sr -","- As Na Sr -","- As3 Na3 Sr3 -","3","0.25","","Carrillo-Cabrera, W.; Somer, M.; Peters, E.M.; Peters, K.; von Schnering, H.G.","Crystal structure of sodium strontium arsenide, Na Sr As","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","52","52","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104057","9.46","","9.46","","4.275","","90","","90","","120","","331.321","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Al4.5 Eu1.5 Pd3 -","- Al4.5 Eu1.5 Pd3 -","- Al9 Eu3 Pd6 -","2","0.0833333","","Cordier, G.; Dietrich, C.","Crystal structure of Eu Pd2 Al3 in the YNi2Al3-type","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","287","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104058","5.523","","18.092","","7.387","","90","","90","","90","","738.125","","","","","","","","","","","","","4","C 2 c m","C -2c 2","40","","Tl Cu2 Ta S4","","- Cu2 S4 Ta Tl -","- Cu2 S4 Ta Tl -","- Cu8 S16 Ta4 Tl4 -","4","0.5","","Wacker, K.; Kutoglu, A.; Buck, P.","Crystal structure of thallium dicopper tantalum tetrasulfide Tl Cu2 Ta S4","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","94","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104064","19.99","","3.9872","","9.618","","90","","101.49","","90","","751.231","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Tl In5 Se8","","- In5 Se8 Tl -","- In5 Se8 Tl -","- In10 Se16 Tl2 -","2","0.25","","Walther, R.; Deiseroth, H.J.","Crystal structure of thallium pentaindium octaselenide, Tl In5 Se8","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","293","293","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104077","7.186","","7.932","","17.377","","90","","90.62","","90","","990.42","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Sr2 (P O3)4","","- O12 P4 Sr2 -","- O12 P4 Sr2 -","- O48 P16 Sr8 -","4","1","","Olbertz, A.; Stachel, D.; Svoboda, I.; Fuess, H.","Redetermination of the crystal structure of strontium polyphosphate, (Sr2 (P O3)4)","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","135","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","163926","2020-10-21","18:00:00",""
"8104080","5.378","","10.383","","11.316","","90","","91.72","","90","","631.598","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(((C H3)3 N H)2 Cl) (H Cl2)","","- C6 H21 Cl3 N2 -","- C6 H21 Cl3 N2 -","- C12 H42 Cl6 N4 -","2","1","","Deeg, A.; Dahlems, T.; Mootz, D.","Crystal structure of the adduct trimethylamine - hydrogen chloride (2/3), ((Me3 N H)2 Cl)(H Cl2)","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","401","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","163945","2020-10-21","18:00:00",""
"8104082","10.598","","10.271","","29.24","","90","","95.059","","90","","3170.44","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(N H4)6 (Mo7 O22.5 (O2)1.5) (H2 O)6","","- H36 Mo7 N6 O31.5 -","- Mo7 N6 O31.5 -","- Mo28 N24 O126 -","4","1","","Olson, S.; Stomberg, R.","Studies on peroxomolybdates XXII. Crystal structure of ammonium dicosaoxodiperoxoheptamolybdate(VI)-water(1/6), (NH4)6 (Mo7 O22 (O2)2) . 6 (H2 O)","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","311","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8104089","4.39","","10.644","","7.673","","90","","90","","90","","358.537","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Eu In2 Ni -","- Eu In2 Ni -","- Eu4 In8 Ni4 -","4","0.25","","Kal'ichak, Ya.M.; Stepien-Damm, J.; Galadzhun, Ya.V.","Crystal structure of europium nickel diindide, EuNiIn2.","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","292","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104090","8.3498","","8.3498","","6.0551","","90","","90","","120","","365.598","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Sc5 Sn3 -","- Sc5 Sn3 -","- Sc10 Sn6 -","2","0.0833333","","Derkach, V.O.; Kotur, B.Y.; Yvon, K.; Cerny, R.; Pacheco, J.V.","Refinement of the crystal structure of pentascandium tristannide, Sc5Sn3","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","290","290","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104097","9.35","","9.35","","9.61","","90","","90","","90","","840.13","","","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Na5 (Al (O H)6) (O H)2","","- Al H8 Na5 O8 -","- Al H8 Na5 O8 -","- Al4 H32 Na20 O32 -","4","0.5","","Weinberger, M.; Schneider, M.; Gessner, W.","Crystal structure of pentanatrium hexahydroxoaluminate dihydroxide, Na5 (Al (O H)6) . (O H)2","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","236","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104099","13.566","","3.93","","9.39","","90","","132.59","","90","","368.566","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","V4.64 Te4","","- Te4 V4.64 -","- Te4 V4.634 -","- Te8 V9.268 -","2","0.25","","Weirich, T.E.; Poettgen, R.; Simon, A.","Crystal structure of defect pentavanadium tetratelluride, V4.64 Te4","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","301","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","164141","2020-10-21","18:00:00",""
"8104131","4.088","","4.088","","4.088","","90","","90","","90","","68.318","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","(N H4) (Ni F3)","","- F3 H4 N Ni -","- F3 N Ni -","- F3 N Ni -","1","0.0208333","","Plitzko, C.; Strecker, M.; Meyer, G.","Crystal structure of two modifications of ammonium trifluoro nickelate(II), N H4 Ni F3","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","3","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104132","5.8456","","5.8456","","14.3563","","90","","90","","120","","424.846","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","(N H4) (Ni F3)","","- F3 H4 N Ni -","- F3 N Ni -","- F18 N6 Ni6 -","6","0.25","","Plitzko, C.; Strecker, M.; Meyer, G.","Crystal structure of two modifications of ammonium trifluoro nickelate(II), N H4 Ni F3","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","3","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104141","11.812","","11.809","","17.86","","90","","99.44","","90","","2457.52","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Cs Ga Te2 -","- Cs Ga Te2 -","- Cs16 Ga16 Te32 -","16","2","","Wu, E.J.; Pell, M.A.; Fuelberth, T.M.; Ibers, J.A.","Crystal structure of cesium gallium ditelluride, Cs Ga Te2","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","91","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104145","13.46","","3.8284","","10.247","","90","","90","","90","","528.031","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na Cu (Hf Se3)","","- Cu Hf Na Se3 -","- Cu Hf Na Se3 -","- Cu4 Hf4 Na4 Se12 -","4","0.5","","Klepp, K.O.; Sturmayr, D.","Crystal structure of sodium copper triselenohafnate(IV) Na Cu Hf Se3","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","75","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104146","13.885","","7.133","","9.984","","90","","124.41","","90","","815.801","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Rb4 (Ge2 Se6)","","- Ge2 Rb4 Se6 -","- Ge2 Rb4 Se6 -","- Ge4 Rb8 Se12 -","2","0.25","","Klepp, K.O.; Fabian, F.","Crystal structure of tetrarubidium digermanium hexaselenide, Rb4 Ge2 Se6","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","302","302","","","","","","","","","","","","","","","","","","","","","","has coordinates","164553","2020-10-21","18:00:00",""
"8104150","19.731","","3.97","","7.077","","90","","95.9","","90","","551.42","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Cu2 Ti Te3","","- Cu2 Te3 Ti -","- Cu2 Te3 Ti -","- Cu8 Te12 Ti4 -","4","0.5","","Kleyn, A.G.; Pell, M.A.; Ibers, J.A.","Crystal structure of dicopper titanium tritelluride, Cu2 Ti Te3","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","93","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104153","8.743","","8.743","","5.056","","90","","90","","90","","386.481","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Tb Fe4.28 Al7.72","","- Al7.72 Fe4.28 Tb -","- Al7.724 Fe4.276 Tb -","- Al15.448 Fe8.552 Tb2 -","2","0.0625","","Yanson, T.I.; Manyako, M.B.; Yvon, K.; Bodak, O.I.; Pacheco, J.V.; Cerny, R.","Crystal structures of terbium iron aluminide, TbFexAl12-x (x=4.28), lutetium iron aluminide, LuFexAl12-x (x=4 and 6.1), and lanthanum iron aluminide LaFexAl12-x (x=4).","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","505","507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104154","8.7256","","8.7256","","5.0441","","90","","90","","90","","384.038","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Lu Fe4 Al8","","- Al8 Fe4 Lu -","- Al8 Fe4 Lu -","- Al16 Fe8 Lu2 -","2","0.0625","","Yanson, T.I.; Manyako, M.B.; Bodak, O.I.; Yvon, K.; Pacheco, J.V.; Cerny, R.","Crystal structures of terbium iron aluminide, TbFexAl12-x (x=4.28), lutetium iron aluminide, LuFexAl12-x (x=4 and 6.1), and lanthanum iron aluminide LaFexAl12-x (x=4).","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","505","507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104156","7.9207","","7.9207","","3.3603","","90","","90","","120","","182.573","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Zr6 Fe Al2","","- Al2 Fe Zr6 -","- Al2 Fe Zr6 -","- Al2 Fe Zr6 -","1","0.0833333","","Yanson, T.I.; Manyako, M.B.; Bodak, O.I.; Cerny, R.; Pacheco, J.V.; Yvon, K.","Crystal structure of zirconium iron aluminide, Zr6FeAl2.","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","504","504","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104159","5.6167","","5.6167","","14.286","","90","","90","","120","","390.305","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ni3 Pb2 Se2 -","- Ni3 Pb2 Se2 -","- Ni9 Pb6 Se6 -","3","0.0833333","","Range, K.J.; Paulus, H.; Rau, F.; Zabel, M.","Crystal structure of nickel lead selenide (3/2/2), Ni3 Pb2 Se2","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","136","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104162","3.791","","17.713","","9.19","","90","","100.69","","90","","606.399","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(C (N H2)3)2 C4 O4 (H2 O)2","","- C6 H16 N6 O6 -","- C6 H16 N6 O6 -","- C12 H32 N12 O12 -","2","0.5","","Kolev, T.; Preut, H.; Bleckmann, P.","Crystal structure of diguanidinium squarate dihydrate, (C (N H2)3)2 C4 H4 . 2H2 O","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","414","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","164728","2020-10-21","18:00:00",""
"8104164","10.4041","","10.4041","","10.4041","","90","","90","","90","","1126.19","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Nd2 Pt2 O7","","- Nd2 O7 Pt2 -","- Nd2 O7 Pt2 -","- Nd16 O56 Pt16 -","8","0.0416667","","Zabel, M.; Rau, F.; Steiner, C.; Range, K.J.","Crystal Structure of Neodymium Platinum Oxide (2/2/7), Nd2 Pt2 O7","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","137","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","164746","2020-10-21","18:00:00",""
"8104171","7.5002","","7.1375","","5.0224","","90","","90","","90","","268.863","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Sc Fe2 Si2","","- Fe2 Sc Si2 -","- Fe2 Sc Si2 -","- Fe8 Sc4 Si8 -","4","0.5","","Kotur, B.Ya.; Cerny, R.; Pacheco, J.V.; Yvon, K.","Refinement of th crystal structure of scandium diiron disilicide, Sc Fe2 Si2","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","289","289","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104172","9.046","","9.261","","10.376","","97.24","","100.92","","101.66","","823.604","","","","","","","","","","","","","6","P -1","-P 1","2","","K4 (Nb6 Cl12 (N3)6) (H2 O)2","","- Cl12 H4 K4 N18 Nb6 O2 -","- Cl12 H4 K4 N18 Nb6 O2 -","- Cl12 H4 K4 N18 Nb6 O2 -","1","0.5","","Reckeweg, O.; Meyer, H.J.","Crystal structure of tetrapotassium hexaazidododecachloroniobate dihydrate, K4 (Nb6 Cl12 (N3)6) (H2 O)2","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","234","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","200426","2020-10-21","18:00:00",""
"8104193","10.489","","10.489","","10.489","","90","","90","","90","","1153.99","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Rb2 (W Br6)","","- Br6 Rb2 W -","- Br6 Rb2 W -","- Br24 Rb8 W4 -","4","0.0208333","","Zheng, Y.-Q.; Peters, K.; von Schnering, H.G.","Crystal structure of dirubidium hexabromotungstate (IV), Rb2 W Br6","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","53","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104196","9.918","","9.918","","9.918","","90","","90","","90","","975.601","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","K2 (W Cl5.4 Br0.6)","","- Br0.6 Cl5.4 K2 W -","- Br0.582 Cl5.418 K2 W -","- Br2.328 Cl21.672 K8 W4 -","4","0.0208333","","Zheng, Y.-Q.; Peters, K.; von Schnering, H.G.","Crystal structure of dipotassium mixed chloro-bromotungstate(IV), K2 W Cl5.4 Br0.6","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","54","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104198","10.733","","10.733","","10.733","","90","","90","","90","","1236.41","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Cs2 (W Br6)","","- Br6 Cs2 W -","- Br6 Cs2 W -","- Br24 Cs8 W4 -","4","0.0208333","","Zheng, Y.-Q.; Peters, P.; von Schnering, H.G.","Crystal structure of dicesium hexabromotungstate (IV), Cs2 W Br6","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","55","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104200","18.6429","","5.437","","9.892","","90","","90","","90","","1002.67","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Na Ba (Al F6)","","- Al Ba F6 Na -","- Al Ba F6 Na -","- Al8 Ba8 F48 Na8 -","8","2","","Kubel, F.; Hagemann, H.; Bill, H.","Crystal structure of sodium barium aluminiumhexafluoride, Na Ba Al F6","Zeitschrift fuer Kristallographie - New Crystal Structures","1997","212","","89","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104325","12.666","","12.666","","12.635","","90","","90","","120","","1755.44","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Na22 Ba14 Ca N6","","- Ba14 Ca N6 Na22 -","- Ba14 Ca N6 Na22 -","- Ba14 Ca N6 Na22 -","1","0.0416667","","Steinbrenner, U.; Simon, A.","Structural frustration in a rod packing - An analogy to the disordered triangular Ising net","Zeitschrift fuer Kristallographie (149,1979-)","1997","212","","428","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9001795","13.05476","","13.05476","","13.75182","","90","","90","","90","","2343.68","","","","298","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","Leucite","- Al K O6 Si2 -","- Al0.99999 K O6 Si2.00001 -","- Al15.9998 K16 O96 Si32.0002 -","16","1","","Palmer, D. C.; Dove, M. T.; Ibberson, R. M.; Powell, B. M.","Structural behavior, crystal chemistry and phase transitions in substituted leucites: High-resolution neutron powder diffraction studies Sample: Natural, Expt. no. 3003, T = 298 K, KAlSi2O6","American Mineralogist","1997","82","","16","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001796","13.2918","","13.2918","","13.74118","","90","","90","","90","","2427.68","","","","298","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","Leucite","- Al O6 Rb Si2 -","- Al0.99999 O6 Rb Si2.00001 -","- Al15.9998 O96 Rb16 Si32.0002 -","16","1","","Palmer, D. C.; Dove, M. T.; Ibberson, R. M.; Powell, B. M.","Structural behavior, crystal chemistry and phase transitions in substituted leucites: High-resolution neutron powder diffraction studies Sample: Expt. no. 2830, T = 298 K, RbAlSi2O6","American Mineralogist","1997","82","","16","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001797","13.6524","","13.6524","","13.7216","","90","","90","","90","","2557.54","","","","298","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","Leucite","- Al Cs O6 Si2 -","- Al0.99999 Cs O6 Si2.00001 -","- Al15.9998 Cs16 O96 Si32.0002 -","16","1","","Palmer, D. C.; Dove, M. T.; Ibberson, R. M.; Powell, B. M.","Structural behavior, crystal chemistry and phase transitions in substituted leucites: High-resolution neutron powder diffraction studies Sample: Expt. no. 2828, T = 298 K, CsAlSi2O6","American Mineralogist","1997","82","","16","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001798","13.20357","","13.20357","","13.95446","","90","","90","","90","","2432.74","","","","298","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","Leucite","- K0.9 O6 Si2 -","- K0.9 O6 Si2.00001 -","- K14.4 O96 Si32.0002 -","16","1","","Palmer, D. C.; Dove, M. T.; Ibberson, R. M.; Powell, B. M.","Structural behavior, crystal chemistry and phase transitions in substituted leucites: High-resolution neutron powder diffraction studies Sample: Expt. no. 3757, T = 298 K, KFeSi2O6","American Mineralogist","1997","82","","16","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001799","8.87","","5.592","","10.144","","90","","115.4","","90","","454.516","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al2.79 Ca2 Fe0.21 H O13 Si3 -","- Al2.79 Ca2 Fe0.21 H O13 Si3 -","- Al5.58 Ca4 Fe0.42 H2 O26 Si6 -","2","0.5","","Comodi, P.; Zanazzi, P. F.","The pressure behavior of clinozoisite and zoisite: An X-ray diffraction study Sample: at room pressure","American Mineralogist","1997","82","","61","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001800","8.874","","5.593","","10.139","","90","","115.4","","90","","454.578","","","","","","","","50000","","","","","5","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al2.79 Ca2 Fe0.21 O13 Si3 -","- Al2.79 Ca2 Fe0.21 O13 Si3 -","- Al5.58 Ca4 Fe0.42 O26 Si6 -","2","0.5","","Comodi, P.; Zanazzi, P. F.","The pressure behavior of clinozoisite and zoisite: An X-ray diffraction study Sample: P = 0.5 kbar","American Mineralogist","1997","82","","61","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001801","8.84","","5.566","","10.07","","90","","115.5","","90","","447.212","","","","","","","","1940000","","","","","5","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al2.79 Ca2 Fe0.21 O13 Si3 -","- Al2.79 Ca2 Fe0.21 O13 Si3 -","- Al5.58 Ca4 Fe0.42 O26 Si6 -","2","0.5","","Comodi, P.; Zanazzi, P. F.","The pressure behavior of clinozoisite and zoisite: An X-ray diffraction study Sample: P = 19.4 kbar","American Mineralogist","1997","82","","61","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001802","8.793","","5.526","","9.996","","90","","115.3","","90","","439.119","","","","","","","","4200000","","","","","5","P 1 21/m 1","-P 2yb","11","","","Clinozoisite","- Al2.79 Ca2 Fe0.21 O13 Si3 -","- Al2.79 Ca2 Fe0.21 O13 Si3 -","- Al5.58 Ca4 Fe0.42 O26 Si6 -","2","0.5","","Comodi, P.; Zanazzi, P. F.","The pressure behavior of clinozoisite and zoisite: An X-ray diffraction study Sample: P = 42 kbar","American Mineralogist","1997","82","","61","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001803","16.212","","5.555","","10.034","","90","","90","","90","","903.639","","","","","","","","100","","","","","6","P n m a","-P 2ac 2n","62","","","Zoisite","- Al2.88 Ca2 Fe0.12 H O13 Si3 -","- Al2.88 Ca2 Fe0.12 H O13 Si3 -","- Al11.52 Ca8 Fe0.48 H4 O52 Si12 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","The pressure behavior of clinozoisite and zoisite: An X-ray diffraction study Sample: P = .001 kbar, room conditions","American Mineralogist","1997","82","","61","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001804","5.7068","","7.4784","","5.2193","","99.911","","97.436","","84.52","","216.966","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- Cu2.13 Li2 Mg0.87 O12 Si4 -","- Cu2.13 Li2 Mg0.87 O12 Si4 -","- Cu2.13 Li2 Mg0.87 O12 Si4 -","1","0.5","","Horiuchi, H.; Saito, A.; Tachi, T.; Nagasawa, H.","Structure of synthetic Li2(Mg,Cu)Cu2[Si2O6]2: A unique chain silicate related to pyroxene","American Mineralogist","1997","82","","143","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001805","9.8389","","9.0214","","5.2424","","90","","104.797","","90","","449.887","","","","","","","","0","","","","","4","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca Fe O6 Si2 -","- Ca Fe O6 Si2 -","- Ca4 Fe4 O24 Si8 -","4","0.5","","Zhang, L.; Ahsbahs, H.; Hafner, S. S.; Kutoglu, A.","Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa Sample: at P = 0.0 GPa Note: cell parameters obtained by linear regression","American Mineralogist","1997","82","","245","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001806","9.81","","8.985","","5.224","","90","","104.58","","90","","445.63","","","","","","","","1100000","","","","","4","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca Fe O6 Si2 -","- Ca Fe O6 Si2 -","- Ca4 Fe4 O24 Si8 -","4","0.5","","Zhang, L.; Ahsbahs, H.; Hafner, S. S.; Kutoglu, A.","Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa Sample: at P = 1.1 GPa Note: cell parameters obtained by linear regression","American Mineralogist","1997","82","","245","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001807","9.787","","8.952","","5.209","","90","","104.43","","90","","441.98","","","","","","","","2100000","","","","","4","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca Fe O6 Si2 -","- Ca Fe O6 Si2 -","- Ca4 Fe4 O24 Si8 -","4","0.5","","Zhang, L.; Ahsbahs, H.; Hafner, S. S.; Kutoglu, A.","Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa Sample: at P = 2.1 GPa Note: cell parameters obtained by linear regression","American Mineralogist","1997","82","","245","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001808","9.772","","8.931","","5.2","","90","","104.34","","90","","439.684","","","","","","","","2800000","","","","","4","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca Fe O6 Si2 -","- Ca Fe O6 Si2 -","- Ca4 Fe4 O24 Si8 -","4","0.5","","Zhang, L.; Ahsbahs, H.; Hafner, S. S.; Kutoglu, A.","Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa Sample: at P = 2.8 GPa Note: cell parameters obtained by linear regression","American Mineralogist","1997","82","","245","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001809","9.756","","8.906","","5.189","","90","","104.25","","90","","436.984","","","","","","","","3600000","","","","","4","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca Fe O6 Si2 -","- Ca Fe O6 Si2 -","- Ca4 Fe4 O24 Si8 -","4","0.5","","Zhang, L.; Ahsbahs, H.; Hafner, S. S.; Kutoglu, A.","Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa Sample: at P = 3.6 GPa Note: cell parameters obtained by linear regression","American Mineralogist","1997","82","","245","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001810","9.744","","8.889","","5.181","","90","","104.18","","90","","435.076","","","","","","","","4200000","","","","","4","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca Fe O6 Si2 -","- Ca Fe O6 Si2 -","- Ca4 Fe4 O24 Si8 -","4","0.5","","Zhang, L.; Ahsbahs, H.; Hafner, S. S.; Kutoglu, A.","Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa Sample: at P = 4.2 GPa Note: cell parameters obtained by linear regression","American Mineralogist","1997","82","","245","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001811","9.737","","8.877","","5.176","","90","","104.14","","90","","433.834","","","","","","","","4600000","","","","","4","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca Fe O6 Si2 -","- Ca Fe O6 Si2 -","- Ca4 Fe4 O24 Si8 -","4","0.5","","Zhang, L.; Ahsbahs, H.; Hafner, S. S.; Kutoglu, A.","Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa Sample: at P = 4.6 GPa Note: cell parameters obtained by linear regression","American Mineralogist","1997","82","","245","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001812","9.724","","8.856","","5.168","","90","","104.14","","90","","431.562","","","","","","","","5300000","","","","","4","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca Fe O6 Si2 -","- Ca Fe O6 Si2 -","- Ca4 Fe4 O24 Si8 -","4","0.5","","Zhang, L.; Ahsbahs, H.; Hafner, S. S.; Kutoglu, A.","Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa Sample: at P = 5.3 GPa Note: cell parameters obtained by linear regression","American Mineralogist","1997","82","","245","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001813","9.707","","8.827","","5.156","","90","","103.99","","90","","428.681","","","","","","","","6300000","","","","","4","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca Fe O6 Si2 -","- Ca Fe O6 Si2 -","- Ca4 Fe4 O24 Si8 -","4","0.5","","Zhang, L.; Ahsbahs, H.; Hafner, S. S.; Kutoglu, A.","Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa Sample: at P = 6.3 GPa Note: cell parameters obtained by linear regression","American Mineralogist","1997","82","","245","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001814","9.686","","8.789","","5.141","","90","","103.89","","90","","424.857","","","","","","","","7600000","","","","","4","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca Fe O6 Si2 -","- Ca Fe O6 Si2 -","- Ca4 Fe4 O24 Si8 -","4","0.5","","Zhang, L.; Ahsbahs, H.; Hafner, S. S.; Kutoglu, A.","Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa Sample: at P = 7.6 GPa Note: cell parameters obtained by linear regression","American Mineralogist","1997","82","","245","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001815","9.668","","8.756","","5.128","","90","","103.82","","90","","421.534","","","","","","","","8700000","","","","","4","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca Fe O6 Si2 -","- Ca Fe O6 Si2 -","- Ca4 Fe4 O24 Si8 -","4","0.5","","Zhang, L.; Ahsbahs, H.; Hafner, S. S.; Kutoglu, A.","Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa Sample: at P = 8.7 GPa Note: cell parameters obtained by linear regression","American Mineralogist","1997","82","","245","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001816","9.647","","8.718","","5.114","","90","","103.74","","90","","417.792","","","","","","","","9900000","","","","","4","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca Fe O6 Si2 -","- Ca Fe O6 Si2 -","- Ca4 Fe4 O24 Si8 -","4","0.5","","Zhang, L.; Ahsbahs, H.; Hafner, S. S.; Kutoglu, A.","Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa Sample: at P = 9.9 GPa Note: cell parameters obtained by linear regression","American Mineralogist","1997","82","","245","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001817","5.6715","","11.582","","8.258","","90","","90.397","","90","","542.433","","","","","","","","","","","","","4","C 1 2/m 1 (a+c-1/4,b+1/4,c)","-C 2y (x+1/4,y-1/4,-x+z-1/4)","12","","","Wadsleyite","- H0.355 Mg3.44 O8 Si1.888 -","- H0.355 Mg3.44 O8 Si1.888 -","- H1.42 Mg13.76 O32 Si7.552 -","4","","","Smyth, J. R.; Kawamoto, T.; Jacobsen, S. D.; Swope, R. J.; Hervig, R. L.; Holloway, J. R.","Crystal structure of monoclinic hydrous wadsleyite [beta-(Mg,Fe)2SiO4] Note: occupancies of octahedral sites are estimates","American Mineralogist","1997","82","","270","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001818","5.157","","5.157","","8.706","","90","","90","","120","","200.513","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","Kalsilite","- Al K O4 Si -","- Al K O4 Si -","- Al2 K2 O8 Si2 -","2","0.333333","","Cellai, D.; Bonazzi, P.; Carpenter, M. A.","Natural kalsilite, KAlSiO4, with P31c symmetry: Crystal structure and twinning","American Mineralogist","1997","82","","276","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001819","9.9076","","17.988","","5.2706","","90","","104.252","","90","","910.405","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca1.05 Mg5 Na2.85 O24 Si8 -","- Ca1.05 Mg5 Na2.85 O24 Si8 -","- Ca2.1 Mg10 Na5.7 O48 Si16 -","2","0.25","","Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.","Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Mg(100)","American Mineralogist","1997","82","","291","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001820","9.9073","","17.978","","5.2669","","90","","104.303","","90","","909.027","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca1.09 Mg4.02 Na2.73 Ni0.98 O24 Si8 -","- Ca1.09 Mg4.02 Na2.73 Ni0.98 O24 Si8 -","- Ca2.18 Mg8.04 Na5.46 Ni1.96 O48 Si16 -","2","0.25","","Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.","Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Ni20","American Mineralogist","1997","82","","291","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001821","9.9024","","17.965","","5.2603","","90","","104.361","","90","","906.548","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca1.12 Mg2.96 Na2.64 Ni2.04 O24 Si8 -","- Ca1.12 Mg2.96 Na2.64 Ni2.04 O24 Si8 -","- Ca2.24 Mg5.92 Na5.28 Ni4.08 O48 Si16 -","2","0.25","","Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.","Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Ni40","American Mineralogist","1997","82","","291","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001822","9.8956","","17.948","","5.2567","","90","","104.413","","90","","904.238","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca1.07 Mg1.95 Na2.79 Ni3.05 O24 Si8 -","- Ca1.07 Mg1.95 Na2.79 Ni3.05 O24 Si8 -","- Ca2.14 Mg3.9 Na5.58 Ni6.1 O48 Si16 -","2","0.25","","Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.","Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Ni60","American Mineralogist","1997","82","","291","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001823","9.8886","","17.933","","5.2525","","90","","104.461","","90","","901.928","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca Mg1.01 Na3 Ni3.99 O24 Si8 -","- Ca Mg1.01 Na3 Ni3.99 O24 Si8 -","- Ca2 Mg2.02 Na6 Ni7.98 O48 Si16 -","2","0.25","","Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.","Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Ni80","American Mineralogist","1997","82","","291","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001824","9.8927","","17.926","","5.2534","","90","","104.48","","90","","902.027","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca1.02 Na2.98 Ni5 O24 Si8 -","- Ca1.02 Na2.98 Ni5 O24 Si8 -","- Ca2.04 Na5.96 Ni10 O48 Si16 -","2","0.25","","Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.","Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Ni100","American Mineralogist","1997","82","","291","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001825","9.918","","17.999","","5.2714","","90","","104.246","","90","","912.081","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca1.1 Co1.09 Mg3.91 Na2.72 O24 Si8 -","- Ca1.1 Co1.09 Mg3.91 Na2.72 O24 Si8 -","- Ca2.2 Co2.18 Mg7.82 Na5.44 O48 Si16 -","2","0.25","","Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.","Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Co20","American Mineralogist","1997","82","","291","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001826","9.9312","","18.015","","5.2731","","90","","104.245","","90","","914.406","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca1.1 Co2.15 Mg2.85 Na2.66 O24 Si8 -","- Ca1.1 Co2.15 Mg2.85 Na2.66 O24 Si8 -","- Ca2.2 Co4.3 Mg5.7 Na5.32 O48 Si16 -","2","0.25","","Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.","Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Co40","American Mineralogist","1997","82","","291","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001827","9.9436","","18.029","","5.274","","90","","104.259","","90","","916.358","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca1.1 Co3.04 Mg1.96 Na2.76 O24 Si8 -","- Ca1.1 Co3.04 Mg1.96 Na2.76 O24 Si8 -","- Ca2.2 Co6.08 Mg3.92 Na5.52 O48 Si16 -","2","0.25","","Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.","Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Co60","American Mineralogist","1997","82","","291","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001828","9.9568","","18.049","","5.2742","","90","","104.413","","90","","917.997","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca Co3.87 Mg1.13 Na3 O24 Si8 -","- Ca Co3.87 Mg1.13 Na3 O24 Si8 -","- Ca2 Co7.74 Mg2.26 Na6 O48 Si16 -","2","0.25","","Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.","Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Co80","American Mineralogist","1997","82","","291","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001829","9.9724","","18.069","","5.2775","","90","","104.261","","90","","921.654","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca0.94 Co5 Na3.06 O24 Si8 -","- Ca0.94 Co5 Na3.06 O24 Si8 -","- Ca1.88 Co10 Na6.12 O48 Si16 -","2","0.25","","Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.","Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Co100","American Mineralogist","1997","82","","291","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001830","9.747","","23.88","","20.068","","90","","90","","90","","4671","","","","","","","","","","","","","6","C m c m","-C 2c 2","63","","","Terranovaite","- Al3 Ca1.48 H54 Na1.48 O50.72 Si17 -","- Al3 Ca1.48 H21.44 Na1.48 O50.72 Si17 -","- Al12 Ca5.92 H85.76 Na5.92 O202.88 Si68 -","4","0.25","","Galli, E.; Quartieri, S.; Vezzalini, G.; Alberti, A.; Franzini, M.","Terranovaite from Antarctica: A new 'pentasil' zeolite","American Mineralogist","1997","82","","423","429","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:12",""
"9001831","7.124","","7.856","","5.577","","89.99","","101.15","","105.95","","293.978","","","","","","","","100","","","","","3","P -1","-P 1","2","","","Kyanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","2","","Comodi, P.; Zanazzi, P. F.; Poli, S.; Schmidt, M. W.","High-pressure behavior of kyanite: Compressibility and structural deformation Sample: P = 0.001 kbar, in air","American Mineralogist","1997","82","","452","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001832","7.117","","7.86","","5.575","","90.02","","101.02","","106.06","","293.697","","","","","","","","10000","","","","","3","P -1","-P 1","2","","","Kyanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","2","","Comodi, P.; Zanazzi, P. F.; Poli, S.; Schmidt, M. W.","High-pressure behavior of kyanite: Compressibility and structural deformation Sample: P = 0.1 kbar","American Mineralogist","1997","82","","452","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001833","7.079","","7.824","","5.547","","90.13","","101","","105.98","","289.439","","","","","","","","2540000","","","","","3","P -1","-P 1","2","","","Kyanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","2","","Comodi, P.; Zanazzi, P. F.; Poli, S.; Schmidt, M. W.","High-pressure behavior of kyanite: Compressibility and structural deformation Sample: P = 25.4 kbar","American Mineralogist","1997","82","","452","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001834","7.065","","7.805","","5.537","","90.12","","101.08","","105.86","","287.743","","","","","","","","3700000","","","","","3","P -1","-P 1","2","","","Kyanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","2","","Comodi, P.; Zanazzi, P. F.; Poli, S.; Schmidt, M. W.","High-pressure behavior of kyanite: Compressibility and structural deformation Sample: P = 37 kbar","American Mineralogist","1997","82","","452","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001835","7.063","","7.784","","5.524","","90.13","","101.16","","105.85","","286.14","","","","","","","","4700000","","","","","3","P -1","-P 1","2","","","Kyanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","2","","Comodi, P.; Zanazzi, P. F.; Poli, S.; Schmidt, M. W.","High-pressure behavior of kyanite: Compressibility and structural deformation Sample: P = 47 kbar","American Mineralogist","1997","82","","452","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001836","7.12","","7.8479","","5.5738","","89.974","","101.117","","106","","293.306","","","","","","","","0","","","","","3","P -1","-P 1","2","","","Kyanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","2","","Yang, H.; Downs, R. T.; Finger, L. W.; Hazen, R. M.; Prewitt, C. T.","Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure Sample: at P = 0.0 GPa, in air","American Mineralogist","1997","82","","467","474","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001837","7.1038","","7.8305","","5.5605","","90.023","","101.112","","106.001","","291.282","","","","","","","","1350000","","","","","3","P -1","-P 1","2","","","Kyanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","2","","Yang, H.; Downs, R. T.; Finger, L. W.; Hazen, R. M.; Prewitt, C. T.","Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure Sample: at P = 1.35 GPa","American Mineralogist","1997","82","","467","474","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001838","7.0896","","7.8173","","5.5497","","90.031","","101.098","","105.987","","289.68","","","","","","","","2540000","","","","","3","P -1","-P 1","2","","","Kyanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","2","","Yang, H.; Downs, R. T.; Finger, L. W.; Hazen, R. M.; Prewitt, C. T.","Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure Sample: at P = 2.54 GPa","American Mineralogist","1997","82","","467","474","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001839","7.075","","7.8027","","5.5367","","90.063","","101.091","","105.985","","287.868","","","","","","","","3730000","","","","","3","P -1","-P 1","2","","","Kyanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","2","","Yang, H.; Downs, R. T.; Finger, L. W.; Hazen, R. M.; Prewitt, C. T.","Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure Sample: at P = 3.73 GPa","American Mineralogist","1997","82","","467","474","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001840","7.0648","","7.7926","","5.5299","","90.089","","101.085","","105.982","","286.732","","","","","","","","4560000","","","","","3","P -1","-P 1","2","","","Kyanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","2","","Yang, H.; Downs, R. T.; Finger, L. W.; Hazen, R. M.; Prewitt, C. T.","Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure Sample: at P = 4.56 GPa","American Mineralogist","1997","82","","467","474","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001841","7.4105","","7.4105","","7.4105","","90","","90","","90","","406.951","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","Ca2TiSiO6","- Ca2 O6 Si Ti -","- Ca2 O6 Si Ti -","- Ca8 O24 Si4 Ti4 -","4","0.0208333","","Leinenweber, K.; Parise, J. B.","Rietveld refinement of Ca2TiSiO6 perovskite","American Mineralogist","1997","82","","475","478","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001842","7.0425","","8.7155","","6.5376","","90","","113.629","","90","","367.628","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Hughes, J. M.; Bloodaxe, E. S.; Hanchar, J. M.; Foord, E. E.","Incorporation of rare earth elements in titanite: Stabilization of the A2/a dimorph by creation of antiphase boundaries Sample: natural","American Mineralogist","1997","82","","512","516","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001843","7.0348","","8.7119","","6.5498","","90","","113.712","","90","","367.526","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Hughes, J. M.; Bloodaxe, E. S.; Hanchar, J. M.; Foord, E. E.","Incorporation of rare earth elements in titanite: Stabilization of the A2/a dimorph by creation of antiphase boundaries Sample: La-Al","American Mineralogist","1997","82","","512","516","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001844","7.028","","8.7025","","6.5434","","90","","113.681","","90","","366.502","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","0.5","","Hughes, J. M.; Bloodaxe, E. S.; Hanchar, J. M.; Foord, E. E.","Incorporation of rare earth elements in titanite: Stabilization of the A2/a dimorph by creation of antiphase boundaries Sample: Dy-Al","American Mineralogist","1997","82","","512","516","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001845","7.057","","8.71","","6.555","","90","","113.84","","90","","368.535","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Titanite","- Ca O5 Si Ti -","- Ca O5 Si Ti -","- Ca4 O20 Si4 Ti4 -","4","1","","Hughes, J. M.; Bloodaxe, E. S.; Hanchar, J. M.; Foord, E. E.","Incorporation of rare earth elements in titanite: Stabilization of the A2/a dimorph by creation of antiphase boundaries Sample: Dy-Al","American Mineralogist","1997","82","","512","516","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001846","3.954","","3.954","","17.66","","90","","90","","120","","239.108","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","Clarkeite","- Na O4 U -","- Na O4 U -","- Na3 O12 U3 -","3","0.0833333","","Finch, R. J.; Ewing, R. C.","Clarkeite: New chemical and structural data","American Mineralogist","1997","82","","607","619","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001847","5.05","","13.969","","8.64","","90","","90","","90","","609.495","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","Phase-B-superfluorous","- F4 Mg10 O14 Si3 -","- F4 Mg10 O14 Si3 -","- F8 Mg20 O28 Si6 -","2","0.25","","Hazen, R. M.; Yang, H.; Prewitt, C. T.; Gasparik, T.","Crystal chemistry of superfluorous phase B (Mg10Si3O14F4): Implications for the role of fluorine in the mantle","American Mineralogist","1997","82","","647","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001848","4.7453","","4.7453","","4.345","","90","","90","","120","","84.732","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","","Phase-D","- H2.22 Mg1.11 O6 Si1.89 -","- H2.22 Mg1.11 O6 Si1.89 -","- H2.22 Mg1.11 O6 Si1.89 -","1","0.0833333","","Yang, H.; Prewitt, C. T.; Frost, D. J.","Crystal structure of the dense hydrous magnesium silicate, phase D","American Mineralogist","1997","82","","651","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001849","4.6339","","4.6339","","15.0177","","90","","90","","120","","279.272","","","","","","","","0","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Ross, N. L.","The equation of state and high-pressure behaviour of magnesite Sample: at P = 0","American Mineralogist","1997","82","","682","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001850","4.6149","","4.6149","","14.867","","90","","90","","120","","274.207","","","","","","","","2260000","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Ross, N. L.","The equation of state and high-pressure behaviour of magnesite Sample: at P = 2.26 GPa","American Mineralogist","1997","82","","682","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001851","4.6068","","4.6068","","14.817","","90","","90","","120","","272.326","","","","","","","","3090000","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Ross, N. L.","The equation of state and high-pressure behaviour of magnesite Sample: at P = 3.09 GPa","American Mineralogist","1997","82","","682","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001852","4.5988","","4.5988","","14.7525","","90","","90","","120","","270.2","","","","","","","","4160000","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Ross, N. L.","The equation of state and high-pressure behaviour of magnesite Sample: at P = 4.16 GPa","American Mineralogist","1997","82","","682","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001853","4.5937","","4.5937","","14.7157","","90","","90","","120","","268.928","","","","","","","","4770000","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Ross, N. L.","The equation of state and high-pressure behaviour of magnesite Sample: at P = 4.77 GPa","American Mineralogist","1997","82","","682","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001854","4.5812","","4.5812","","14.6302","","90","","90","","120","","265.913","","","","","","","","6050000","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Ross, N. L.","The equation of state and high-pressure behaviour of magnesite Sample: at P = 6.05 GPa","American Mineralogist","1997","82","","682","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001855","7.5314","","7.5314","","16.0518","","90","","90","","90","","910.49","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","Gillespite","- Ba Cr O10 Si4 -","- Ba Cr O10 Si4 -","- Ba4 Cr4 O40 Si16 -","4","0.25","","Miletich, R.; Allan, D. R.; Angel, R. J.","The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in the gillespite-type ABSi4O10 series BaCrSi4O10","American Mineralogist","1997","82","","697","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001856","7.4562","","7.4562","","15.5414","","90","","90","","90","","864.023","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","Gillespite","- Cr O10 Si4 Sr -","- Cr O10 Si4 Sr -","- Cr4 O40 Si16 Sr4 -","4","0.25","","Miletich, R.; Allan, D. R.; Angel, R. J.","The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in the gillespite-type ABSi4O10 series SrCrSi4O10","American Mineralogist","1997","82","","697","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001857","7.3772","","7.3772","","15.1231","","90","","90","","90","","823.046","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","Gillespite","- Ca Cr O10 Si4 -","- Ca Cr O10 Si4 -","- Ca4 Cr4 O40 Si16 -","4","0.25","","Miletich, R.; Allan, D. R.; Angel, R. J.","The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in the gillespite-type ABSi4O10 series CaCrSi4O10","American Mineralogist","1997","82","","697","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001858","10.0547","","17.997","","5.2746","","90","","104.832","","90","","922.66","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca K2 Mg5 Na O24 Si8 -","- Ca K2 Mg5 Na O24 Si8 -","- Ca2 K4 Mg10 Na2 O48 Si16 -","2","0.25","","Hawthorne, F. C.; Della Ventura, G.; Robert, J.-L.; Welch, M. D.; Jenkins, D. M.","A Rietveld and infrared study of synthetic amphiboles along the potassium-richterite-tremolite join Sample: Kr100","American Mineralogist","1997","82","","708","716","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:57",""
"9001859","10.0209","","18.001","","5.273","","90","","104.786","","90","","919.679","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca1.2 K1.6 Mg5 Na0.8 O24 Si8 -","- Ca1.2 K1.6 Mg5 Na0.8 O24 Si8 -","- Ca2.4 K3.2 Mg10 Na1.6 O48 Si16 -","2","0.25","","Hawthorne, F. C.; Della Ventura, G.; Robert, J.-L.; Welch, M. D.; Jenkins, D. M.","A Rietveld and infrared study of synthetic amphiboles along the potassium-richterite-tremolite join Sample: Kr80","American Mineralogist","1997","82","","708","716","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:57",""
"9001860","9.9884","","18.016","","5.273","","90","","104.746","","90","","917.629","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca1.4 K1.2 Mg5 Na0.6 O24 Si8 -","- Ca1.4 K1.2 Mg5 Na0.6 O24 Si8 -","- Ca2.8 K2.4 Mg10 Na1.2 O48 Si16 -","2","0.25","","Hawthorne, F. C.; Della Ventura, G.; Robert, J.-L.; Welch, M. D.; Jenkins, D. M.","A Rietveld and infrared study of synthetic amphiboles along the potassium-richterite-tremolite join Sample: Kr60","American Mineralogist","1997","82","","708","716","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:57",""
"9001861","9.9548","","18.021","","5.2735","","90","","104.724","","90","","914.975","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca1.6 K0.4 Mg5 Na0.4 O24 Si8 -","- Ca1.6 K0.4 Mg5 Na0.4 O24 Si8 -","- Ca3.2 K0.8 Mg10 Na0.8 O48 Si16 -","2","0.25","","Hawthorne, F. C.; Della Ventura, G.; Robert, J.-L.; Welch, M. D.; Jenkins, D. M.","A Rietveld and infrared study of synthetic amphiboles along the potassium-richterite-tremolite join Sample: Kr40","American Mineralogist","1997","82","","708","716","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:57",""
"9001862","9.924","","18.03","","5.2749","","90","","104.67","","90","","913.068","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Richterite","- Ca1.8 K0.4 Mg5 Na0.2 O24 Si8 -","- Ca1.8 K0.4 Mg5 Na0.2 O24 Si8 -","- Ca3.6 K0.8 Mg10 Na0.4 O48 Si16 -","2","0.25","","Hawthorne, F. C.; Della Ventura, G.; Robert, J.-L.; Welch, M. D.; Jenkins, D. M.","A Rietveld and infrared study of synthetic amphiboles along the potassium-richterite-tremolite join Sample: Kr20 Note, Kr0 sample from Smelik et al (1994) Am Min 79, 1110-1122","American Mineralogist","1997","82","","708","716","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:57",""
"9001863","13.6334","","18.2443","","17.8449","","90","","90.32","","90","","4438.53","","","","315","","","","","","","","","6","C 1 2/m 1 (a,b,a+2*c)","-C 2y (x-1/2*z,y,1/2*z)","12","","","Stilbite-Ca","- Al2.16 Ca0.99 H9.26 Na0.44 O25.08 Si6.84 -","- Al2.16 Ca0.99 H14.16 Na0.44 O25.08 Si6.84 -","- Al17.28 Ca7.92 H113.28 Na3.52 O200.64 Si54.72 -","8","","","Cruciani, G.; Artioli, G.; Gualtieri, A.; Stahl, K.; Hanson, J. C.","Dehydration dynamics of stilbite using synchrotron X-ray powder diffraction Sample: at T = 315 K","American Mineralogist","1997","82","","729","739","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9001864","13.652","","18.1575","","17.79","","90","","90.227","","90","","4409.86","","","","416","","","","","","","","","6","C 1 2/m 1 (a,b,a+2*c)","-C 2y (x-1/2*z,y,1/2*z)","12","","","Stilbite-Ca","- Al2.16 Ca0.62 H9.26 Na0.72 O24.11 Si6.84 -","- Al2.16 Ca0.62 H12.22 Na0.72 O24.11 Si6.84 -","- Al17.28 Ca4.96 H97.76 Na5.76 O192.88 Si54.72 -","8","","","Cruciani, G.; Artioli, G.; Gualtieri, A.; Stahl, K.; Hanson, J. C.","Dehydration dynamics of stilbite using synchrotron X-ray powder diffraction Sample: at T = 416 K","American Mineralogist","1997","82","","729","739","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9001865","13.72","","17.6808","","17.4461","","90","","90","","90","","4232.08","","","","441","","","","","","","","","6","A m m a","-A 2a 2a","63","","","Stilbite-Ca","- Al0.72 Ca0.12 H0.333 Na0.068 O6.69 Si2.28 -","- Al0.72 Ca0.12 H1.38 Na0.0683333 O6.69 Si2.28 -","- Al17.28 Ca2.88 H33.12 Na1.64 O160.56 Si54.72 -","24","1.5","","Cruciani, G.; Artioli, G.; Gualtieri, A.; Stahl, K.; Hanson, J. C.","Dehydration dynamics of stilbite using synchrotron X-ray powder diffraction Sample: at T = 441 K","American Mineralogist","1997","82","","729","739","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:44",""
"9001866","13.5849","","17.6213","","17.1148","","90","","90","","90","","4097","","","","521","","","","","","","","","6","A m m a","-A 2a 2a","63","","","Stilbite-Ca","- Al3.12 Ca0.4 H1.96 Na0.235 O19.3 Si9.88 -","- Al3.12 Ca0.4 H1.46 Na0.235 O19.3 Si9.88 -","- Al24.96 Ca3.2 H11.68 Na1.88 O154.4 Si79.04 -","8","0.5","","Cruciani, G.; Artioli, G.; Gualtieri, A.; Stahl, K.; Hanson, J. C.","Dehydration dynamics of stilbite using synchrotron X-ray powder diffraction Sample: at T = 521 K","American Mineralogist","1997","82","","729","739","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:12",""
"9001867","11.837","","11.837","","11.837","","90","","90","","90","","1658.54","","","","100","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Grossular","- Al2 Ca3 O12 Si3 -","- Al2 Ca3 O12 Si3 -","- Al16 Ca24 O96 Si24 -","8","0.0833333","","Geiger, C. A.; Armbruster, T.","Mn3Al2Si3O12 spessartine and Ca3Al2Si3O12 grossular garnet: Structural dynamics and thermodynamic properties Sample: at T = 100 K","American Mineralogist","1997","82","","740","747","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001868","11.847","","11.847","","11.847","","90","","90","","90","","1662.74","","","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Grossular","- Al2 Ca3 O12 Si3 -","- Al2 Ca3 O12 Si3 -","- Al16 Ca24 O96 Si24 -","8","0.0833333","","Geiger, C. A.; Armbruster, T.","Mn3Al2Si3O12 spessartine and Ca3Al2Si3O12 grossular garnet: Structural dynamics and thermodynamic properties Sample: at T = 293 K","American Mineralogist","1997","82","","740","747","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001869","11.872","","11.872","","11.872","","90","","90","","90","","1673.29","","","","550","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Grossular","- Al2 Ca3 O12 Si3 -","- Al2 Ca3 O12 Si3 -","- Al16 Ca24 O96 Si24 -","8","0.0833333","","Geiger, C. A.; Armbruster, T.","Mn3Al2Si3O12 spessartine and Ca3Al2Si3O12 grossular garnet: Structural dynamics and thermodynamic properties Sample: at T = 550 K","American Mineralogist","1997","82","","740","747","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001870","11.606","","11.606","","11.606","","90","","90","","90","","1563.32","","","","100","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Grossular","- Al2 Ca3 O12 Si3 -","- Al2 Ca3 O12 Si3 -","- Al16 Ca24 O96 Si24 -","8","0.0833333","","Geiger, C. A.; Armbruster, T.","Mn3Al2Si3O12 spessartine and Ca3Al2Si3O12 grossular garnet: Structural dynamics and thermodynamic properties Sample: at T = 100 K","American Mineralogist","1997","82","","740","747","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001871","11.619","","11.619","","11.619","","90","","90","","90","","1568.58","","","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Grossular","- Al2 Ca3 O12 Si3 -","- Al2 Ca3 O12 Si3 -","- Al16 Ca24 O96 Si24 -","8","0.0833333","","Geiger, C. A.; Armbruster, T.","Mn3Al2Si3O12 spessartine and Ca3Al2Si3O12 grossular garnet: Structural dynamics and thermodynamic properties Sample: at T = 293 K","American Mineralogist","1997","82","","740","747","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001872","11.641","","11.641","","11.641","","90","","90","","90","","1577.51","","","","500","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Grossular","- Al2 Ca3 O12 Si3 -","- Al2 Ca3 O12 Si3 -","- Al16 Ca24 O96 Si24 -","8","0.0833333","","Geiger, C. A.; Armbruster, T.","Mn3Al2Si3O12 spessartine and Ca3Al2Si3O12 grossular garnet: Structural dynamics and thermodynamic properties Sample: at T = 500 K","American Mineralogist","1997","82","","740","747","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001873","9.197","","9.197","","9.197","","68.75","","68.75","","68.75","","651.388","","","","","","","","","","","","","11","R -3 :R","-P 3*","148","","","Dessauite-(Y)","- Ba0.12 Ce0.06 Fe8.06 La0.12 Mn0.12 O38 Pb0.24 Sr0.42 Ti12.66 U0.3 Y0.3 -","- Ba0.12 Ce0.06 Fe8.06 La0.12 Mn0.12 O38 Pb0.24 Sr0.42 Ti12.66 U0.3 Y0.3 -","- Ba0.12 Ce0.06 Fe8.06 La0.12 Mn0.12 O38 Pb0.24 Sr0.42 Ti12.66 U0.3 Y0.3 -","1","0.166667","","Orlandi, P.; Pasero, M.; Duchi, G.; Olmi, F.","Dessauite, (Sr,Pb)(Y,U)(Ti,Fe)20O38, a new mineral of the crichtonite group from Buca della Vena mine, Tuscany, Italy","American Mineralogist","1997","82","","807","811","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001874","6.543","","8.3918","","6.3416","","90","","113.175","","90","","320.104","","","","","","","","","","","","","3","A 1 2/n 1","-A 2yab","15","","","Titanite","- Ca O5 Si2 -","- Ca O5 Si2 -","- Ca4 O20 Si8 -","4","0.5","","Angel, R. J.","Transformation of fivefold-coordinated silicon to octahedral silicon in calcium silicate, CaSi2O5","American Mineralogist","1997","82","","836","839","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001875","5.837","","7.211","","8.693","","90","","90","","90","","365.894","","","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","Mozartite","- Ca H Mn O5 Si -","- Ca H Mn O5 Si -","- Ca4 H4 Mn4 O20 Si4 -","4","1","","Nyfeler, D.; Hoffmann, C.; Armbruster, T.; Kunz, M.; Libowitzky, E.","Orthorhombic Jahn-Teller distortion and Si-OH in mozartite, CaMnO[SiO3OH]: A single-crystal X-ray, FTIR, and structure modeling study Sample: at T = 100 K","American Mineralogist","1997","82","","841","848","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001876","5.842","","7.228","","8.704","","90","","90","","90","","367.535","","","","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","Mozartite","- Ca H Mn O5 Si -","- Ca H Mn O5 Si -","- Ca4 H4 Mn4 O20 Si4 -","4","1","","Nyfeler, D.; Hoffmann, C.; Armbruster, T.; Kunz, M.; Libowitzky, E.","Orthorhombic Jahn-Teller distortion and Si-OH in mozartite, CaMnO[SiO3OH]: A single-crystal X-ray, FTIR, and structure modeling study Sample: at T = 300 K","American Mineralogist","1997","82","","841","848","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001877","5.846","","7.248","","8.726","","90","","90","","90","","369.736","","","","500","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","Mozartite","- Ca H Mn O5 Si -","- Ca H Mn O5 Si -","- Ca4 H4 Mn4 O20 Si4 -","4","1","","Nyfeler, D.; Hoffmann, C.; Armbruster, T.; Kunz, M.; Libowitzky, E.","Orthorhombic Jahn-Teller distortion and Si-OH in mozartite, CaMnO[SiO3OH]: A single-crystal X-ray, FTIR, and structure modeling study Sample: at T = 500 K","American Mineralogist","1997","82","","841","848","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001878","9.394","","9.394","","6.8967","","90","","90","","120","","527.076","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","Fluorapatite","- Ca5 F O12 P3 -","- Ca5 F O12 P3 -","- Ca10 F2 O24 P6 -","2","0.166667","","Fleet M E; Pan Y","Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)- substituted crystals Sample: La,Gd-FAp","American Mineralogist","1997","82","","870","877","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001879","9.3874","","9.3874","","6.892","","90","","90","","120","","525.977","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","Fluorapatite","- Ca5 F O12 P3 -","- Ca5 F O12 P3 -","- Ca10 F2 O24 P6 -","2","0.166667","","Fleet M E; Pan Y","Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)- substituted crystals Sample: Ce,Dy-FAp","American Mineralogist","1997","82","","870","877","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001880","9.3845","","9.3845","","6.8901","","90","","90","","120","","525.507","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","Fluorapatite","- Ca5 F O12 P3 -","- Ca5 F O12 P3 -","- Ca10 F2 O24 P6 -","2","0.166667","","Fleet M E; Pan Y","Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)- substituted crystals Sample: Pr,Er-FAp","American Mineralogist","1997","82","","870","877","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001881","9.3812","","9.3812","","6.8867","","90","","90","","120","","524.878","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","Fluorapatite","- Ca5 F O12 P3 -","- Ca5 F O12 P3 -","- Ca10 F2 O24 P6 -","2","0.166667","","Fleet M E; Pan Y","Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)- substituted crystals Sample: Eu,Lu-FAp","American Mineralogist","1997","82","","870","877","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001882","5.334","","5.334","","14.37","","90","","90","","120","","354.073","","","","","","","","","","","","","6","P 63","P 6c","173","","","Lizardite-2H2","- Al1.12 Fe0.12 H4 Mg2.34 O9 Si1.42 -","- Al1.12 Fe0.12 H4 Mg2.34 O9 Si1.42 -","- Al2.24 Fe0.24 H8 Mg4.68 O18 Si2.84 -","2","0.333333","","Brigatti, M. F.; Galli, E.; Medici, L.; Poppi, L.","Crystal structure refinement of aluminian lizardite-2H2","American Mineralogist","1997","82","","931","935","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001883","5.2","","9.005","","9.795","","90","","100.24","","90","","451.355","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Clintonite-1M","- Al3.05 Ca Fe0.16 H2 Mg1.19 O12 Si1.6 -","- Al3.05 Ca Fe0.16 H2 Mg1.19 O12 Si1.6 -","- Al6.1 Ca2 Fe0.32 H4 Mg2.38 O24 Si3.2 -","2","0.25","","Alietti, E.; Brigatti, M. F.; Poppi, L.","Clintonite-1M: Crystal chemistry and its relationships to closely associated Al-rich phlogopite Sample: Cli5a","American Mineralogist","1997","82","","936","945","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001884","5.1982","","9.006","","9.796","","90","","100.21","","90","","451.338","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Clintonite-1M","- Al3.03 Ca Fe0.21 H2 Mg2.16 O12 Si1.2 -","- Al3.03 Ca Fe0.21 H2 Mg2.16 O12 Si1.2 -","- Al6.06 Ca2 Fe0.42 H4 Mg4.32 O24 Si2.4 -","2","0.25","","Alietti, E.; Brigatti, M. F.; Poppi, L.","Clintonite-1M: Crystal chemistry and its relationships to closely associated Al-rich phlogopite Sample: Cli7c","American Mineralogist","1997","82","","936","945","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001885","5.194","","8.995","","9.788","","90","","100.23","","90","","450.026","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Clintonite-1M","- Al3.51 Ca Fe0.15 H2 Mg2.1 O12 Si1.24 -","- Al3.51 Ca Fe0.15 H2 Mg2.1 O12 Si1.24 -","- Al7.02 Ca2 Fe0.3 H4 Mg4.2 O24 Si2.48 -","2","0.25","","Alietti, E.; Brigatti, M. F.; Poppi, L.","Clintonite-1M: Crystal chemistry and its relationships to closely associated Al-rich phlogopite Sample: Cli8a","American Mineralogist","1997","82","","936","945","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001886","5.203","","9.026","","9.811","","90","","100.27","","90","","453.365","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Clintonite-1M","- Al3.42 Ca Fe0.12 H2 Mg2.22 O12 Si1.24 -","- Al3.42 Ca Fe0.12 H2 Mg2.22 O12 Si1.24 -","- Al6.84 Ca2 Fe0.24 H4 Mg4.44 O24 Si2.48 -","2","0.25","","Alietti, E.; Brigatti, M. F.; Poppi, L.","Clintonite-1M: Crystal chemistry and its relationships to closely associated Al-rich phlogopite Sample: Cli8d","American Mineralogist","1997","82","","936","945","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001887","5.192","","9.003","","9.794","","90","","100.17","","90","","450.614","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Clintonite-1M","- Al3.46 Ca Fe0.15 H2 Mg2.19 O12 Si1.2 -","- Al3.46 Ca Fe0.15 H2 Mg2.19 O12 Si1.2 -","- Al6.92 Ca2 Fe0.3 H4 Mg4.38 O24 Si2.4 -","2","0.25","","Alietti, E.; Brigatti, M. F.; Poppi, L.","Clintonite-1M: Crystal chemistry and its relationships to closely associated Al-rich phlogopite Sample: Cli9a","American Mineralogist","1997","82","","936","945","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001888","5.2016","","9.005","","9.816","","90","","100.3","","90","","452.376","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Clintonite-1M","- Al3.35 Ca Fe0.15 H2 Mg2.22 O12 Si1.28 -","- Al3.35 Ca Fe0.15 H2 Mg2.22 O12 Si1.28 -","- Al6.7 Ca2 Fe0.3 H4 Mg4.44 O24 Si2.56 -","2","0.25","","Alietti, E.; Brigatti, M. F.; Poppi, L.","Clintonite-1M: Crystal chemistry and its relationships to closely associated Al-rich phlogopite Sample: Cli9b","American Mineralogist","1997","82","","936","945","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001889","5.158","","8.94","","28.498","","90","","96.6","","90","","1305.41","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","Cookeite","- Al4.99 H8 Li0.86 O18 Si3.04 -","- Al4.99 H8 Li0.86 O18 Si3.04 -","- Al19.96 H32 Li3.44 O72 Si12.16 -","4","1","","Zheng, H.; Bailey, S. W.","Refinement of the cookeite ""r"" structure","American Mineralogist","1997","82","","1007","1013","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:43",""
"9001890","8.319","","8.319","","7.377","","90","","90","","120","","442.133","","","","","","","","","","","","","5","P 3","P 3","143","","","Bechererite","- H12 O23 S Si Zn8 -","- H12 O23 S Si Zn8 -","- H12 O23 S Si Zn8 -","1","0.333333","","Hoffmann, C.; Armbruster, T.; Giester, G.","The acentric structure (P3) of bechererite, Zn7Cu(OH)13[SiO(OH)3SO4] Note U(1,2) for Zn2, Zn21, and O1 changed to match symmetry constraints.","American Mineralogist","1997","82","","1014","1018","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001891","14.1165","","41.378","","14.5347","","90","","90","","90","","8489.9","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Vandendriesscheite","- H33 O48 Pb2 U10 -","- H33 O48 Pb2 U10 -","- H264 O384 Pb16 U80 -","8","1","","Burns, P. C.","A new uranyl oxide hydrate sheet in vandendriesscheite: Implications for mineral paragenesis and the corrosion of spent nuclear fuel Locality: Shinkolobwe (Congo)","American Mineralogist","1997","82","","1176","1186","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001892","5.0612","","5.0612","","22.82","","90","","90","","120","","506.236","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","Lukechangite-(Ce)","- C4 Ce2 F Na14 O12 -","- C4 Ce2 F Na14 O12 -","- C8 Ce4 F2 Na28 O24 -","2","0.0833333","","Grice, J. D.; Chao, G. Y.","Lukechangite-(Ce), a new rare-earth-fluorocarbonate mineral from Mont Saint-Hilaire, Quebec Note: U(1,2) for Na1, O1, O2 and F changed to match symmetry constraints. Note: U(2,3) for O2 changed to match symmetry constraints.","American Mineralogist","1997","82","","1255","1260","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9004449","6.726","","6.726","","15.044","","90","","90","","120","","589.397","","","","","","","","","","","","Mont Saint-Hilaire, Quebec, Canada","5","P 32","P 32","145","","","Sheldrickite","- C2 Ca3 F3 Na O7 -","- C2 Ca3 F3 Na O7 -","- C6 Ca9 F9 Na3 O21 -","3","1","","Grice, J. D.; Gault, R. A.; Van Velthuizen, J.","Sheldrickite, a new sodium-calcium-fluorocarbonate mineral species from Mont Saint-Hilaire, Quebec","The Canadian Mineralogist","1997","35","","181","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004450","6.959","","9.17","","6.301","","90","","90","","90","","402.092","","","","","","","","","","","","Mont Saint-Hilaire, Quebec, Canada","5","P m c n","-P 2n 2a","62","","","Horvathite-(Y)","- C F2 Na O3 Y -","- C F2 Na O3 Y -","- C4 F8 Na4 O12 Y4 -","4","0.5","","Grice, J. D.; Chao, G. Y.","Horvathite-(Y), rare-earth fluorocarbonate, a new mineral species from Mont Saint-Hilaire, Quebec","The Canadian Mineralogist","1997","35","","743","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004451","17.367","","8.079","","8.693","","90","","121.56","","90","","1039.3","","","","","","","","","","","","","5","P 1 a 1","P -2ya","7","","","Brianroulstonite","- B5 Ca3 Cl2 H23 O21 -","- B5 Ca3 Cl2 H23 O21 -","- B10 Ca6 Cl4 H46 O42 -","2","1","","Grice, J. D.; Gault, R. A.; Van Velthuizen, J.","Brianroulstonite: A new borate mineral with a sheet structure","The Canadian Mineralogist","1997","35","","751","758","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004452","5.316","","5.316","","9.719","","90","","90","","120","","237.86","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","","Leisingite","- Cu2 Mg O12 Te -","- Cu2 Mg O12 Te -","- Cu2 Mg O12 Te -","1","0.0833333","","Margison, S. M.; Grice, J. D.; Groat, L. A.","The crystal structure of leisingite, (Cu,Mg,Zn)2(Mg,Fe)TeO6.6H2O","The Canadian Mineralogist","1997","35","","759","763","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004453","8.1287","","9.4916","","6.894","","100.356","","110.163","","82.981","","490.125","","","","","","","","","","","","","4","P -1","-P 1","2","","","Deanesmithite","- Cr Hg5 O5 S2 -","- Cr Hg5 O5 S2 -","- Cr2 Hg10 O10 S4 -","2","1","","Szymanski, J. T.; Groat, L. A.","The crystal structure of deanesmithite, Hg2Hg3CrO5S2","The Canadian Mineralogist","1997","35","","765","772","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004454","4.035","","4.035","","4.035","","90","","90","","90","","65.695","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","Zvyagintsevite","- Bi0.11 Pb0.89 Pd2.88 Pt0.12 -","- Bi0.11 Pb0.89 Pd2.88 Pt0.12 -","- Bi0.11 Pb0.89 Pd2.88 Pt0.12 -","1","0.0208333","","Szymanski, J. T.; Cabri, L. J.; Laflamme, J. H. G.","The crystal structure and calculated powder-diffraction data for zvyagintsevite, Pd3Pb","The Canadian Mineralogist","1997","35","","773","776","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004455","12.524","","12.907","","11.646","","90","","90","","90","","1882.54","","","","","","","","","","","","","9","P c a b","-P 2bc 2ac","61","","","Wicksite","- Al0.18 Ca2 Fe4.24 H4 Mg0.96 Mn0.6 Na O26 P6 -","- Al0.18 Ca2 Fe4.24 H4 Mg0.96 Mn0.6 Na O26 P6 -","- Al0.72 Ca8 Fe16.96 H16 Mg3.84 Mn2.4 Na4 O104 P24 -","4","0.5","","Cooper, M. A.; Hawthorne, F. C.","The crystal structure of wicksite","The Canadian Mineralogist","1997","35","","777","784","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004456","6.063","","6.063","","6.063","","90","","90","","90","","222.876","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","Marshite","- Cu I -","- Cu I -","- Cu4 I4 -","4","0.0416667","","Cooper, M. A.; Hawthorne, F. C.","A note on the crystal structure of marshite Note: ZnS structure, sphalerite structure","The Canadian Mineralogist","1997","35","","785","786","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004457","7.65","","6.135","","8.863","","90","","111.76","","90","","386.325","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Brackebuschite","- H Mn O9 Pb2 V2 -","- H Mn O9 Pb2 V2 -","- H2 Mn2 O18 Pb4 V4 -","2","0.5","","Foley, J. A.; Hughes, J. M.; Lange, D.","The atomic arrangement of brackebuschite, redefined as Pb2(Mn,Fe)(VO4)2(OH), and comments on Mn octahedra","The Canadian Mineralogist","1997","35","","1027","1033","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004458","6.973","","7.365","","7.665","","89.94","","62.94","","76.88","","339.023","","","","","","","","","","","","","6","P -1","-P 1","2","","","Vistepite","- B2 H2 Mn4 O18 Si4 Sn -","- B2 H2 Mn4 O18 Si4 Sn -","- B2 H2 Mn4 O18 Si4 Sn -","1","0.5","","Hybler, J.; Petricek, V.; Jurek, K.; Skala, R.; Cisarova, I.","Structure determination of vistepite SnMn4B2Si4O16(OH)2: Isotypism with bustamite, revised crystallographic data and composition","The Canadian Mineralogist","1997","35","","1283","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004459","14.4949","","21.4195","","4.042","","90","","90","","90","","1254.93","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","","Nuffieldite","- Bi2.39 Cu1.37 Pb2.37 S7 Sb0.24 -","- Bi2.39 Cu1.37 Pb2.37 S7 Sb0.24 -","- Bi9.56 Cu5.48 Pb9.48 S28 Sb0.96 -","4","0.5","","Moelo, Y.; Meerschaut, A.; Makovicky, E.","Refinement of the crystal structure of nuffieldite, Pb2Cu1.4(Pb.4Bi.4Sb.2)Bi2S7: Structural relationships and genesis of complex lead sulfosalt structures","The Canadian Mineralogist","1997","35","","1497","1508","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004460","16.059","","10.974","","7.277","","90","","101.7","","90","","1255.79","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Jorgensenite","- Al6 Ba1.2 F32 H2 Na2 O2 Sr5.8 -","- Al6 Ba1.2 F32 H2 Na2 O2 Sr5.8 -","- Al12 Ba2.4 F64 H4 Na4 O4 Sr11.6 -","2","0.25","","Hawthorne, F. C.; Burns, P. C.","The crystal structure of jorgensenite","The Canadian Mineralogist","1997","35","","1509","1513","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004461","25.099","","5.0491","","13.438","","90","","110.88","","90","","1591.13","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","Burangaite","- Al5 Fe H10 Na O24 P4 -","- Al5 Fe H10 Na O24 P4 -","- Al20 Fe4 H40 Na4 O96 P16 -","4","0.5","","Selway, J. B.; Cooper, M. A.; Hawthorne, F. C.","Refinement of the crystal structure of burangaite","The Canadian Mineralogist","1997","35","","1515","1522","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004462","4.71","","10.279","","8.807","","90","","90","","90","","426.383","","","","","","","","","","","","","7","P b n m","-P 2c 2ab","62","","","Norbergite","- B0.015 F1.538 Fe0.021 H0.454 Mg2.979 O4.462 Si0.985 -","- B0.015 F1.538 Fe0.021 H0.454 Mg2.979 O4.462 Si0.985 -","- B0.06 F6.152 Fe0.084 H1.816 Mg11.916 O17.848 Si3.94 -","4","0.5","","Camara, F.","New data on the structure of norbergite: location of hydrogen by X-ray diffraction Sample: HV43 N4","The Canadian Mineralogist","1997","35","","1523","1530","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004463","4.711","","10.275","","8.805","","90","","90","","90","","426.211","","","","","","","","","","","","","7","P b n m","-P 2c 2ab","62","","","Norbergite","- B0.015 F1.514 Fe0.021 H0.478 Mg2.979 O4.486 Si0.985 -","- B0.015 F1.514 Fe0.021 H0.478 Mg2.979 O4.486 Si0.985 -","- B0.06 F6.056 Fe0.084 H1.912 Mg11.916 O17.944 Si3.94 -","4","0.5","","Camara, F.","New data on the structure of norbergite: location of hydrogen by X-ray diffraction Sample: HV47 N1","The Canadian Mineralogist","1997","35","","1523","1530","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004464","10.15","","10.15","","2.952","","90","","90","","90","","304.122","","","","","","","","","","","","","3","I 4/m","-I 4","87","","","Redledgeite","- Ba0.561 O8 Ti4 -","- Ba0.561 O8 Ti4 -","- Ba1.122 O16 Ti8 -","2","0.125","","Foley, J. A.; Hughes, J. M.; Drexler, J. W.","Redledgeite, Bax([Cr,Fe,V]2xTi8-2x)O16, the I4/m structure and elucidation of the sequence of tunnel Ba cations","The Canadian Mineralogist","1997","35","","1531","1534","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004465","9.93","","18.057","","5.316","","90","","105.37","","90","","919.099","","","","","","","","","","","","Pargas, Turku-Pori, Finland","11","C 1 2/m 1","-C 2y","12","","","Potassicpargasite","- Al2.36 Ca1.98 F0.86 Fe1.65 H0.9 K2.16 Mg2.65 Na1.74 O23.14 Si6.24 Ti0.1 -","- Al2.36 Ca1.98 F0.86 Fe1.65 H0.9 K2.16 Mg2.65 Na1.74 O23.14 Si6.24 Ti0.1 -","- Al4.72 Ca3.96 F1.72 Fe3.3 H1.8 K4.32 Mg5.3 Na3.48 O46.28 Si12.48 Ti0.2 -","2","0.25","","Robinson, G. W.; Grice, J. D.; Gault, R. A.; Lalonde, A. E.","Potassicpargasite, a new member of the amphibole group from Pargas, Turku-Pori, Finland","The Canadian Mineralogist","1997","35","","1535","1540","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005289","10.589","","10.589","","5.891","","90","","90","","120","","572.044","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","","Gaudefroyite","- C B3 Ca4 Mn3 O15 -","- C B3 Ca4 Mn3 O15 -","- C2 B6 Ca8 Mn6 O30 -","2","0.166667","","Hoffmann, C.; Armbruster, T.; Kunz, M.","Structure refinement of (001) disordered gaudefroyite Ca4Mn3[(BO3)3(CO3)O3]: Jahn-Teller-distortion in edge-sharing chains of MnO6 octahedra","European Journal of Mineralogy","1997","9","","7","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005290","12.8013","","12.8013","","21.4119","","90","","90","","120","","3038.74","","","","","","","","","","","","","9","P 3 1 c","P 3 -2c","159","","","Afghanite","- Al12 Ca5 Cl2.9 F0.1 K2.36 Na8.64 O60 S3 Si12 -","- Al12 Ca4.9999 Cl2.9 F0.1002 K2.3598 Na8.64 O48 Os11.9999 S3 Si12 -","- Al24 Ca9.9998 Cl5.8 F0.2004 K4.7196 Na17.28 O96 Os23.9999 S6 Si24 -","2","0.333333","","Ballirano, P.; Bonaccorsi, E.; Maras, A.; Merlino, S.","Crystal structure of afghanite, the eight-layer member of the cancrinite-group: evidence for long-range Si,Al ordering","European Journal of Mineralogy","1997","9","","21","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005291","8.4466","","8.4466","","8.4466","","90","","90","","90","","602.623","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Cr1.807 Mn1.193 O4 -","- Cr1.807 Mn1.193 O4 -","- Cr14.456 Mn9.544 O32 -","8","0.0416667","","Lucchesi, S.; Russo, U.; Della Giusta, A.","Crystal chemistry and cation distribution in some Mn-rich natural and synthetic spinels Sample: SPN255","European Journal of Mineralogy","1997","9","","31","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005292","8.4075","","8.4075","","8.4075","","90","","90","","90","","594.293","","","","","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Jacobsite","- Al0.049 Fe1.911 Mg0.736 Mn0.284 O4 Zn0.017 -","- Al0.0488 Fe1.9114 Mg0.7364 Mn0.2842 O4 Zn0.0173 -","- Al0.3904 Fe15.2912 Mg5.8912 Mn2.2736 O32 Zn0.1384 -","8","0.0416667","","Lucchesi, S.; Russo, U.; Della Giusta, A.","Crystal chemistry and cation distribution in some Mn-rich natural and synthetic spinels Sample: JBS1","European Journal of Mineralogy","1997","9","","31","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005293","8.4454","","8.4454","","8.4454","","90","","90","","90","","602.366","","","","","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Jacobsite","- Fe2.068 Mg0.475 Mn0.446 O4 Ti0.002 Zn0.006 -","- Fe2.0678 Mg0.475 Mn0.4462 O4 Ti0.002 Zn0.0059 -","- Fe16.5424 Mg3.8 Mn3.5696 O32 Ti0.016 Zn0.0472 -","8","0.0416667","","Lucchesi, S.; Russo, U.; Della Giusta, A.","Crystal chemistry and cation distribution in some Mn-rich natural and synthetic spinels Sample: JBS3","European Journal of Mineralogy","1997","9","","31","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005294","8.4956","","8.4956","","8.4956","","90","","90","","90","","613.172","","","","","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Jacobsite","- Al0.03 Fe2.004 Mg0.129 Mn0.832 O4 Zn0.007 -","- Al0.0296 Fe2.0038 Mg0.1288 Mn0.8322 O4 Zn0.0068 -","- Al0.2368 Fe16.0304 Mg1.0304 Mn6.6576 O32 Zn0.0544 -","8","0.0416667","","Lucchesi, S.; Russo, U.; Della Giusta, A.","Crystal chemistry and cation distribution in some Mn-rich natural and synthetic spinels Sample: JBS4","European Journal of Mineralogy","1997","9","","31","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005295","8.4576","","8.4576","","8.4576","","90","","90","","90","","604.981","","","","","","","","","","","","","7","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Al0.057 Fe2.266 Mg0.019 Mn0.339 O4 Ti0.025 Zn0.298 -","- Al0.0566 Fe2.2657 Mg0.019 Mn0.3386 O4 Ti0.025 Zn0.2977 -","- Al0.4528 Fe18.1256 Mg0.152 Mn2.7088 O32 Ti0.2 Zn2.3816 -","8","0.0416667","","Lucchesi, S.; Russo, U.; Della Giusta, A.","Crystal chemistry and cation distribution in some Mn-rich natural and synthetic spinels Sample: FRK1b","European Journal of Mineralogy","1997","9","","31","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005296","8.2226","","8.2226","","8.2226","","90","","90","","90","","555.939","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Galaxite","- Al1.773 Fe0.27 Mg0.142 Mn0.815 O4 -","- Al1.7727 Fe0.2703 Mg0.1419 Mn0.8151 O4 -","- Al14.1816 Fe2.1624 Mg1.1352 Mn6.5208 O32 -","8","0.0416667","","Lucchesi, S.; Russo, U.; Della Giusta, A.","Crystal chemistry and cation distribution in some Mn-rich natural and synthetic spinels Sample: SPN258","European Journal of Mineralogy","1997","9","","31","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005297","8.033","","6.253","","9.221","","90","","102.98","","90","","451.339","","","","","","","","","","","","Tuscany, Italy","5","P 1 21 1","P 2yb","4","","","","- Cl3 Fe H6 O5 Pb2 -","- Cl3 Fe H6 O5 Pb2 -","- Cl6 Fe2 H12 O10 Pb4 -","2","1","","Pasero, M.; Perchiazzi, N.; Bigi, S.; Franzini, M.; Merlino, S.","Pb2FeCl3(OH)4.H2O, a newly discovered natural phase from Tuscany, Italy: physio-chemical data, crystal structure, and OD character","European Journal of Mineralogy","1997","9","","43","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005298","9.873","","9.873","","10.288","","90","","90","","90","","1002.83","","","","298.15","","","","","","","","Synthetic","5","I 41/a :2","-I 4ad","88","","","Garronite","- Al0.354 Ca0.175 H10 O2.86 Si0.646 -","- Al0.354 Ca0.175 H1.72 O2.86 Si0.646 -","- Al5.664 Ca2.8 H27.52 O45.76 Si10.336 -","16","1","","Schropfer, L.; Joswig, W.","Structure analyses of a partially dehydrated synthetic Ca-garronite single crystal under different T, pH2O conditions Sample: GAR25/20, T = 25 C, 60% relative humidity","European Journal of Mineralogy","1997","9","","53","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005299","9.912","","9.912","","10.303","","90","","90","","90","","1012.25","","","","298.15","","","","","","","","Synthetic","5","I 41/a :2","-I 4ad","88","","","Garronite","- Al0.354 Ca0.175 H10 O2.86 Si0.646 -","- Al0.354 Ca0.175 H1.72 O2.86 Si0.646 -","- Al5.664 Ca2.8 H27.52 O45.76 Si10.336 -","16","1","","Schropfer, L.; Joswig, W.","Structure analyses of a partially dehydrated synthetic Ca-garronite single crystal under different T, pH2O conditions Sample: GAR25/27, T = 25 C, 80% relative humidity","European Journal of Mineralogy","1997","9","","53","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005300","9.79","","9.79","","9.097","","90","","90","","90","","871.894","","","","418.15","","","","","","","","Synthetic","5","P 41 21 2","P 4abw 2nw","92","","","Garronite","- Al0.708 Ca0.354 H1.776 O4.888 Si1.292 -","- Al0.708 Ca0.354 H1.776 O4.888 Si1.292 -","- Al5.664 Ca2.832 H14.208 O39.104 Si10.336 -","8","1","","Schropfer, L.; Joswig, W.","Structure analyses of a partially dehydrated synthetic Ca-garronite single crystal under different T, pH2O conditions Sample: GAR145/27, T = 145 C, 27 mbar pH2O","European Journal of Mineralogy","1997","9","","53","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005301","9.829","","18.024","","5.284","","90","","104.66","","90","","905.627","","","","","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","Fluoro-edenite","- Al1.24 Ca1.41 F2 Mg4.35 Mn0.87 Na1.18 O22 Si6.92 -","- Al1.24 Ca1.41 F2 Mg4.35 Mn0.87 Na1.18 O22 Si6.92 -","- Al2.48 Ca2.82 F4 Mg8.7 Mn1.74 Na2.36 O44 Si13.84 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Raudsepp, M.","The behaviour of Mn in amphiboles: Mn in synthetic fluor-edenite and synthetic fluor-pargasite Sample: MFE","European Journal of Mineralogy","1997","9","","115","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005302","9.812","","17.926","","5.308","","90","","105.1","","90","","901.388","","","","","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","Fluoropargasite","- Al2.85 Ca1.65 F2 Mg3.38 Mn1.24 Na0.87 O22 Si6.01 -","- Al2.85 Ca1.65 F2 Mg3.38 Mn1.24 Na0.87 O22 Si6.01 -","- Al5.7 Ca3.3 F4 Mg6.76 Mn2.48 Na1.74 O44 Si12.02 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Raudsepp, M.","The behaviour of Mn in amphiboles: Mn in synthetic fluor-edenite and synthetic fluor-pargasite Sample: MFP","European Journal of Mineralogy","1997","9","","115","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005303","8.5733","","12.9375","","7.2075","","90.53","","115.972","","87.968","","718.229","","","","","","","","0","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Microcline","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al4.12 K3.944 Na0.056 O32 Si11.88 -","4","","","Allan, D. R.; Angel, R. J.","A high-pressure structural study of microcline (KAlSi3O8) to 7 GPa P = 0.0 GPa","European Journal of Mineralogy","1997","9","","263","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9005304","8.4812","","12.93","","7.1784","","90.436","","116.163","","87.97","","706.072","","","","","","","","1400000","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Microcline","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al4.12 K3.944 Na0.056 O32 Si11.88 -","4","","","Allan, D. R.; Angel, R. J.","A high-pressure structural study of microcline (KAlSi3O8) to 7 GPa P = 1.4 GPa","European Journal of Mineralogy","1997","9","","263","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9005305","8.3722","","12.899","","7.1328","","90.38","","116.29","","87.93","","690.128","","","","","","","","2900000","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Microcline","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al4.12 K3.944 Na0.056 O32 Si11.88 -","4","","","Allan, D. R.; Angel, R. J.","A high-pressure structural study of microcline (KAlSi3O8) to 7 GPa P = 2.9 GPa","European Journal of Mineralogy","1997","9","","263","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9005306","8.276","","12.878","","7.0936","","90.38","","116.372","","87.89","","676.845","","","","","","","","4400000","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Microcline","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al4.12 K3.944 Na0.056 O32 Si11.88 -","4","","","Allan, D. R.; Angel, R. J.","A high-pressure structural study of microcline (KAlSi3O8) to 7 GPa P = 4.4 GPa","European Journal of Mineralogy","1997","9","","263","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9005307","8.1578","","12.8558","","7.0406","","90.49","","116.616","","87.86","","659.648","","","","","","","","6200000","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Microcline","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al4.12 K3.944 Na0.056 O32 Si11.88 -","4","","","Allan, D. R.; Angel, R. J.","A high-pressure structural study of microcline (KAlSi3O8) to 7 GPa P = 6.2 GPa","European Journal of Mineralogy","1997","9","","263","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9005308","8.0764","","12.8471","","6.9991","","90.548","","116.83","","87.903","","647.584","","","","","","","","7100000","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Microcline","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al1.03 K0.986 Na0.014 O8 Si2.97 -","- Al4.12 K3.944 Na0.056 O32 Si11.88 -","4","","","Allan, D. R.; Angel, R. J.","A high-pressure structural study of microcline (KAlSi3O8) to 7 GPa P = 7.1 GPa","European Journal of Mineralogy","1997","9","","263","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08",""
"9005309","8.131","","12.847","","7.069","","94.03","","115.9","","90.72","","661.839","","","","","","","","","","","","","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Anorthite","- Al1.911 Ca0.716 Mn0.196 Na0.045 O8 Si2.089 -","- Al1.911 Ca0.716 Mn0.196 Na0.045 O8 Si2.089 -","- Al7.644 Ca2.864 Mn0.784 Na0.18 O32 Si8.356 -","4","","","Matsui, T.; Kimata, M.","Crystal chemistry of synthetic Mn-bearing anorthite: Incorporation of MnAl2Si2O8 end-member into feldspar Note: U(1,1) for Obo altered to reproduce Uiso","European Journal of Mineralogy","1997","9","","333","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005310","9.786","","8.86","","5.338","","90","","105.87","","90","","445.185","","","","","","","","","","","","Chelyabinsk coal basin, Southern Urals","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.6 Ca0.96 Fe0.51 Mg0.44 O6 Si1.4 -","- Al0.6 Ca0.96 Fe0.51 Mg0.44 O6 Si1.4 -","- Al2.4 Ca3.84 Fe2.04 Mg1.76 O24 Si5.6 -","4","0.5","","Kabalov, Y. K.; Oeckler, O.; Sokolova, E. V.; Mironov, A. B.; Chesnokov, B. V.","Subsilicic ferrian aluminian diopside from the Chelyabinsk coal basin (Southern Urals) - an unusual clinopyroxene","European Journal of Mineralogy","1997","9","","617","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005311","8.181","","10.841","","5.081","","90","","90","","90","","450.635","","","","110","","","","","","","","","4","I m m 2","I 2 -2","44","","","Hemimorphite","- H2 O9 Si2 Zn4 -","- H2 O9 Si2 Zn4 -","- H4 O18 Si4 Zn8 -","2","0.25","","Libowitzky, E.; Kohler, T.; Armbruster, T.; Rossman, G. R.","Proton disorder in dehydrated hemimorphite - IR spectroscopy and X-ray structure refinement at low and ambient temperatures T = 110 K","European Journal of Mineralogy","1997","9","","803","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005312","8.191","","10.824","","5.088","","90","","90","","90","","451.099","","","","293","","","","","","","","","4","I m m 2","I 2 -2","44","","","Hemimorphite","- H2 O9 Si2 Zn4 -","- H2 O9 Si2 Zn4 -","- H4 O18 Si4 Zn8 -","2","0.25","","Libowitzky, E.; Kohler, T.; Armbruster, T.; Rossman, G. R.","Proton disorder in dehydrated hemimorphite - IR spectroscopy and X-ray structure refinement at low and ambient temperatures T = 293 K","European Journal of Mineralogy","1997","9","","803","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005313","9.758","","8.897","","5.283","","90","","108.74","","90","","434.339","","","","473.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Kanoite","- Ca0.07 Mg1.109 Mn0.821 O6 Si2 -","- Ca0.07 Mg1.109 Mn0.821 O6 Si2 -","- Ca0.28 Mg4.436 Mn3.284 O24 Si8 -","4","1","","Arlt, T.; Armbruster, T.","The temperature-dependent P2_1/c - C2/c phase transition in the clinopyroxene kanoite MnMg[Si2O6]: a single-crystal X-ray and optical study T = 200 C","European Journal of Mineralogy","1997","9","","953","964","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005314","9.796","","8.88","","5.315","","90","","109.26","","90","","436.467","","","","543.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Kanoite","- Ca0.07 Mg1.123 Mn0.807 O6 Si2 -","- Ca0.07 Mg1.123 Mn0.807 O6 Si2 -","- Ca0.28 Mg4.492 Mn3.228 O24 Si8 -","4","0.5","","Arlt, T.; Armbruster, T.","The temperature-dependent P2_1/c - C2/c phase transition in the clinopyroxene kanoite MnMg[Si2O6]: a single-crystal X-ray and optical study T = 270 C","European Journal of Mineralogy","1997","9","","953","964","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005315","4.877","","11.166","","6.448","","90","","90","","90","","351.136","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","","Kirschsteinite","- Ca Fe0.77 Mg0.22 O4 Si -","- Ca Fe0.77 Mg0.22 O4 Si -","- Ca4 Fe3.08 Mg0.88 O16 Si4 -","4","0.5","","Folco, L.; Mellini, M.","Crystal chemistry of meteoritic kirschsteinite Sample: KIR1","European Journal of Mineralogy","1997","9","","969","973","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005316","4.875","","11.164","","6.447","","90","","90","","90","","350.875","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","","Kirschsteinite","- Ca Fe0.69 Mg0.31 O4 Si -","- Ca Fe0.69 Mg0.31 O4 Si -","- Ca4 Fe2.76 Mg1.24 O16 Si4 -","4","0.5","","Folco, L.; Mellini, M.","Crystal chemistry of meteoritic kirschsteinite Sample: KIR2 Note: U(1,1) of O1 altered to reproduce Uiso","European Journal of Mineralogy","1997","9","","969","973","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005317","4.804","","9.107","","8.551","","90","","90","","90","","374.106","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Krieselite","- Al2 Ge H2 O6 -","- Al2 Ge H2 O6 -","- Al8 Ge4 H8 O24 -","4","0.5","","Wunder, B.; Marler, B.","Ge-analogues of aluminium silicates: High-pressure synthesis and properties of orthorhombic Al2GeO4(OH)2 Note: Space group setting altered to match standard","European Journal of Mineralogy","1997","9","","1147","1158","","","","","","","","","","","","","","","","","","","","","","has coordinates","288652","2024-01-03","16:52:31",""
"9005318","14.556","","13.206","","7.513","","90","","110.75","","90","","1350.52","","","","","","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","Leonhardite","- Al4.072 Ca1.276 H4.534 K0.795 Na0.62 O31 Si7.928 -","- Al4.072 Ca1.276 H13.94 K0.795 Na0.62 O30.97 Si7.928 -","- Al8.144 Ca2.552 H27.88 K1.59 Na1.24 O61.94 Si15.856 -","2","0.5","","Baur, W. H.; Joswig, W.; Fursenko, B. A.; Belitsky, I. A.","Symmetry reduction of the aluminosilicate framework of LAU topology by ordering of exchangeable cations: the crystal structure of primary leonhardite with a primitive Bravais lattice","European Journal of Mineralogy","1997","9","","1173","1182","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9005319","5.21379","","5.21379","","29.7382","","90","","90","","120","","700.088","","","","293","","","","","","","","Dora-Maira massif, western Alps","6","P 31 1 2","P 31 2 (0 0 4)","151","","","Aluminoceladonite","- Al1.788 H2 K Mg0.64 O12 Si3.572 -","- Al1.788 H2 K Mg0.64 O12 Si3.572 -","- Al5.364 H6 K3 Mg1.92 O36 Si10.716 -","3","0.5","","Pavese, A.; Ferraris, G.; Prencipe, M.; Ibberson, R.","Cation site ordering in phengite 3T from the Dora-Maira massif (western Alps): a variable-temperature neutron powder diffraction study Note: at T = 293 K","European Journal of Mineralogy","1997","9","","1183","1190","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005320","5.23169","","5.23169","","30.1227","","90","","90","","120","","714.017","","","","893","","","","","","","","Dora-Maira massif, western Alps","6","P 31 1 2","P 31 2 (0 0 4)","151","","","Phengite","- Al2.798 H2 K2 Mg0.63 O12 Si3.572 -","- Al1.848 H2 K Mg0.58 O12 Si3.572 -","- Al5.544 H6 K3 Mg1.74 O36 Si10.716 -","3","0.5","","Pavese, A.; Ferraris, G.; Prencipe, M.; Ibberson, R.","Cation site ordering in phengite 3T from the Dora-Maira massif (western Alps): a variable-temperature neutron powder diffraction study Note: at T = 893 K","European Journal of Mineralogy","1997","9","","1183","1190","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005321","15.04","","15.51","","4.09","","90","","90","","90","","954.076","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Cl2.3 Pb4.32 S8.7 Sb3.68 -","- Cl2.3 Pb4.32 S8.7 Sb3.68 -","- Cl4.6 Pb8.64 S17.4 Sb7.36 -","2","0.25","","Kostov-Kytin V V; Petrova, R.; Macicek, J.","Crystal structure of synthetic Pb4.32Sb3.68S8.68Cl2.32 A chlorine-bearing alternative to Pb4Sb4S11","European Journal of Mineralogy","1997","9","","1191","1197","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9006390","4.7825","","10.304","","6.0041","","90","","90","","90","","295.875","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","Olivine","- Co2 O4 Si -","- Co2 O4 Si -","- Co8 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M00","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006391","4.7814","","10.2924","","6.0007","","90","","90","","90","","295.307","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co1.75 Mg0.25 O4 Si -","- Co1.75 Mg0.25 O4 Si -","- Co7 Mg O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M13","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006392","4.7773","","10.28","","5.9971","","90","","90","","90","","294.521","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co1.5 Mg0.5 O4 Si -","- Co1.5 Mg0.5 O4 Si -","- Co6 Mg2 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M251","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006393","4.7754","","10.2672","","5.9942","","90","","90","","90","","293.896","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co1.249 Mg0.749 O4 Si -","- Co1.249 Mg0.749 O4 Si -","- Co4.996 Mg2.996 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M38","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006394","4.7713","","10.2533","","5.9911","","90","","90","","90","","293.094","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co Mg O4 Si -","- Co Mg O4 Si -","- Co4 Mg4 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock R; Kirfel A","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M502","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006395","4.7679","","10.24","","5.9884","","90","","90","","90","","292.373","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co0.75 Mg1.25 O4 Si -","- Co0.75 Mg1.25 O4 Si -","- Co3 Mg5 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M62","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006396","4.7633","","10.229","","5.9874","","90","","90","","90","","291.729","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co0.499 Mg1.499 O4 Si -","- Co0.499 Mg1.499 O4 Si -","- Co1.996 Mg5.996 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M75","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006397","4.7585","","10.2148","","5.9846","","90","","90","","90","","290.894","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co0.249 Mg1.749 O4 Si -","- Co0.249 Mg1.749 O4 Si -","- Co0.996 Mg6.996 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M87","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006398","4.7536","","10.2066","","5.9845","","90","","90","","90","","290.357","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","Olivine","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg8 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: MR100","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006399","4.7717","","10.2542","","5.9914","","90","","90","","90","","293.159","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co Mg O4 Si -","- Co Mg O4 Si -","- Co4 Mg4 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M501","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006401","4.7715","","10.2535","","5.9912","","90","","90","","90","","293.117","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co Mg O4 Si -","- Co Mg O4 Si -","- Co4 Mg4 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M503","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006402","4.7713","","10.2536","","5.9915","","90","","90","","90","","293.122","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co Mg O4 Si -","- Co Mg O4 Si -","- Co4 Mg4 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: M504","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006403","4.7715","","10.2537","","5.9912","","90","","90","","90","","293.123","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Co Mg O4 Si -","- Co Mg O4 Si -","- Co4 Mg4 O16 Si4 -","4","0.5","","Muller-Sommer M; Hock, R.; Kirfel, A.","Rietveld refinement study of the cation distribution in (Co, Mg)-olivine solid solution Sample: average","Physics and Chemistry of Minerals","1997","24","","17","23","10.1007/s002690050013","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006404","4.9438","","4.9438","","10.9498","","90","","90","","120","","231.771","","","","298.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 25 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006405","4.949","","4.949","","10.955","","90","","90","","120","","232.369","","","","365.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 92 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006406","4.958","","4.958","","10.967","","90","","90","","120","","233.47","","","","456.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 183 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006407","4.9688","","4.9688","","10.979","","90","","90","","120","","234.745","","","","548.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 275 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006408","4.9799","","4.9799","","10.992","","90","","90","","120","","236.074","","","","639.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 366 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006409","4.9939","","4.9939","","11.01","","90","","90","","120","","237.792","","","","731.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 458 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006410","5","","5","","11.016","","90","","90","","120","","238.503","","","","759.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 486 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006411","5.0017","","5.0017","","11.019","","90","","90","","120","","238.731","","","","796.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 523 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006412","5.017","","5.017","","11.038","","90","","90","","120","","240.608","","","","841.15","","","","","","","","","3","P 32 2 1","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.5","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 568 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006413","5.0387","","5.0387","","11.061","","90","","90","","120","","243.199","","","","858.15","","","","","","","","","3","P 62 2 2","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.25","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 585 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006414","5.04","","5.04","","11.063","","90","","90","","120","","243.369","","","","862.15","","","","","","","","","3","P 62 2 2","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.25","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 589 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006415","5.04","","5.04","","11.061","","90","","90","","120","","243.325","","","","871.15","","","","","","","","","3","P 62 2 2","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.25","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 598 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006416","5.0401","","5.0401","","11.063","","90","","90","","120","","243.378","","","","885.15","","","","","","","","","3","P 62 2 2","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.25","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 612 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006417","5.0402","","5.0402","","11.063","","90","","90","","120","","243.388","","","","904.15","","","","","","","","","3","P 62 2 2","","","","","Berlinite","- Al O4 P -","- Al O4 P -","- Al3 O12 P3 -","3","0.25","","Muraoka, Y.; Kihara, K.","The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 631 C","Physics and Chemistry of Minerals","1997","24","","243","253","10.1007/s002690050036","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006418","5.135","","8.906","","19.384","","90","","94.6","","90","","883.62","","","","","","","","10","","","","","12","C 1 2/c 1","-C 2yc","15","","","Paragonite","- Al2.96 Ba0.01 Ca0.01 Fe0.01 H4 K0.1 Mg0.006 Mn0.002 Na0.88 O12 Si3.01 Ti0.007 -","- Al2.96 Ba0.01 Ca0.01 Fe0.01 H4 K0.1 Mg0.006 Mn0.002 Na0.88 O12 Si3.01 Ti0.007 -","- Al11.84 Ba0.04 Ca0.04 Fe0.04 H16 K0.4 Mg0.024 Mn0.008 Na3.52 O48 Si12.04 Ti0.028 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","Pressure dependence of structural parameters of paragonite Sample: P = .0001 kbar Note: z-coordinate for T1 altered by author, Dec 2003","Physics and Chemistry of Minerals","1997","24","","274","280","10.1007/s002690050039","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006419","5.134","","8.906","","19.32","","90","","94.5","","90","","880.653","","","","","","","","50000","","","","","12","C 1 2/c 1","-C 2yc","15","","","Paragonite","- Al2.96 Ba0.01 Ca0.01 Fe0.01 H2 K0.1 Mg0.006 Mn0.002 Na0.88 O12 Si3.01 Ti0.007 -","- Al2.96 Ba0.01 Ca0.01 Fe0.01 H2 K0.1 Mg0.006 Mn0.002 Na0.88 O12 Si3.01 Ti0.007 -","- Al11.84 Ba0.04 Ca0.04 Fe0.04 H8 K0.4 Mg0.024 Mn0.008 Na3.52 O48 Si12.04 Ti0.028 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","Pressure dependence of structural parameters of paragonite Sample: P = 0.05 GPa","Physics and Chemistry of Minerals","1997","24","","274","280","10.1007/s002690050039","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006420","5.082","","8.813","","18.91","","90","","94.7","","90","","844.087","","","","","","","","2540000","","","","","12","C 1 2/c 1","-C 2yc","15","","","Paragonite","- Al2.96 Ba0.01 Ca0.01 Fe0.01 H2 K0.1 Mg0.006 Mn0.002 Na0.88 O12 Si3.01 Ti0.007 -","- Al2.96 Ba0.01 Ca0.01 Fe0.01 H2 K0.1 Mg0.006 Mn0.002 Na0.88 O12 Si3.01 Ti0.007 -","- Al11.84 Ba0.04 Ca0.04 Fe0.04 H8 K0.4 Mg0.024 Mn0.008 Na3.52 O48 Si12.04 Ti0.028 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","Pressure dependence of structural parameters of paragonite Sample: P = 2.54 GPa","Physics and Chemistry of Minerals","1997","24","","274","280","10.1007/s002690050039","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006421","5.062","","8.769","","18.64","","90","","95.2","","90","","824","","","","","","","","4050000","","","","","12","C 1 2/c 1","-C 2yc","15","","","Paragonite","- Al2.96 Ba0.01 Ca0.01 Fe0.01 H2 K0.1 Mg0.006 Mn0.002 Na0.88 O12 Si3.01 Ti0.007 -","- Al2.96 Ba0.01 Ca0.01 Fe0.01 H2 K0.1 Mg0.006 Mn0.002 Na0.88 O12 Si3.01 Ti0.007 -","- Al11.84 Ba0.04 Ca0.04 Fe0.04 H8 K0.4 Mg0.024 Mn0.008 Na3.52 O48 Si12.04 Ti0.028 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","Pressure dependence of structural parameters of paragonite Sample: P = 4.05 GPa","Physics and Chemistry of Minerals","1997","24","","274","280","10.1007/s002690050039","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006422","18.417","","9.073","","5.239","","90","","90","","90","","875.423","","","","","","","","0","","","","","3","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Fe O3 Si -","- Fe O3 Si -","- Fe16 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 0 GPa","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006423","18.3988","","9.0444","","5.2245","","90","","90","","90","","869.389","","","","","","","","830000","","","","","3","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Fe O3 Si -","- Fe O3 Si -","- Fe16 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = .83 GPa","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006424","18.37","","9.006","","5.2084","","90","","90","","90","","861.679","","","","","","","","1710000","","","","","3","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Fe O3 Si -","- Fe O3 Si -","- Fe16 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 1.71 GPa","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006425","18.341","","8.966","","5.1925","","90","","90","","90","","853.883","","","","","","","","2840000","","","","","3","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Fe O3 Si -","- Fe O3 Si -","- Fe16 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 2.84 GPa","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006426","18.311","","8.939","","5.181","","90","","90","","90","","848.037","","","","","","","","3650000","","","","","3","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Fe O3 Si -","- Fe O3 Si -","- Fe16 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 3.65 GPa","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006427","18.2974","","8.904","","5.2092","","90","","90","","90","","848.683","","","","","","","","0","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 0.00 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006428","18.2351","","8.8492","","5.1839","","90","","90","","90","","836.505","","","","","","","","1540000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 1.54 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006429","18.197","","8.82","","5.171","","90","","90","","90","","829.933","","","","","","","","2500000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 2.50 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006430","18.174","","8.7953","","5.1608","","90","","90","","90","","824.932","","","","","","","","3170000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 3.17 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006431","18.1418","","8.7682","","5.1495","","90","","90","","90","","819.136","","","","","","","","4140000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 4.14 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006432","18.124","","8.754","","5.144","","90","","90","","90","","816.134","","","","","","","","4760000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 4.76 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006433","18.0912","","8.724","","5.1315","","90","","90","","90","","809.892","","","","","","","","5770000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 5.77 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006434","18.0665","","8.706","","5.1236","","90","","90","","90","","805.875","","","","","","","","6590000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 6.59 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006435","18.035","","8.682","","5.1138","","90","","90","","90","","800.718","","","","","","","","7500000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 7.50 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006436","18.231","","8.8095","","5.1873","","90","","90","","90","","833.111","","","","","","","","0","","","","","6","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al1.12 Ca0.096 Fe1.92 Mg13.28 O48 Si15.52 -","8","1","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 0.00 GPa, natural orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006437","18.189","","8.7765","","5.1723","","90","","90","","90","","825.684","","","","","","","","1040000","","","","","6","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al1.12 Ca0.096 Fe1.92 Mg13.28 O48 Si15.52 -","8","1","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 1.04 GPa, natural orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006438","18.16","","8.7503","","5.1606","","90","","90","","90","","820.047","","","","","","","","1900000","","","","","6","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al1.12 Ca0.096 Fe1.92 Mg13.28 O48 Si15.52 -","8","1","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 1.90 GPa, natural orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006439","18.115","","8.7184","","5.1472","","90","","90","","90","","812.917","","","","","","","","3000000","","","","","6","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al1.12 Ca0.096 Fe1.92 Mg13.28 O48 Si15.52 -","8","1","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 3.00 GPa, natural orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006440","18.077","","8.6907","","5.1349","","90","","90","","90","","806.702","","","","","","","","4030000","","","","","6","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al1.12 Ca0.096 Fe1.92 Mg13.28 O48 Si15.52 -","8","1","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 4.03 GPa, natural orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006441","18.051","","8.6683","","5.1244","","90","","90","","90","","801.822","","","","","","","","4930000","","","","","6","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al1.12 Ca0.096 Fe1.92 Mg13.28 O48 Si15.52 -","8","1","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 4.93 GPa, natural orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006442","18","","8.642","","5.115","","90","","90","","90","","795.669","","","","","","","","6010000","","","","","6","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al1.12 Ca0.096 Fe1.92 Mg13.28 O48 Si15.52 -","8","1","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 6.01 GPa, natural orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006443","18.502","","18.974","","6.525","","90","","90.615","","90","","2290.51","","","","","","","","","","","","","5","F 1 d 1","","","","","Scolecite","- Al2 Ca H6 O13 Si3 -","- Al2 Ca H6 O13 Si3 -","- Al16 Ca8 H48 O104 Si24 -","8","","","Stuckenschmidt, E.; Joswig, W.; Baur, W. H.; Hofmeister, W.","Scolecite, Part I: Refinement of high-order data, separation of internal and external vibrational amplitudes from displacement parameters","Physics and Chemistry of Minerals","1997","24","","403","410","10.1007/s002690050054","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006444","13.633","","13.633","","5.913","","90","","90","","120","","951.747","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","","Mixite","- As3 Bi Cu6 H60 O21 -","- As3 Bi Cu6 H11.9999 O21 -","- As6 Bi2 Cu12 H23.9999 O41.9999 -","2","0.166667","","Miletich, R.; Zemann, J.; Nowak, M.","Reversible hydration in synthetic mixite, BiCu6(OH)6(AsO4)3.nH2O(n<=3): hydration kinetics and crystal chemistry Sample: H20","Physics and Chemistry of Minerals","1997","24","","411","422","10.1007/s002690050055","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9006445","13.631","","13.631","","5.905","","90","","90","","120","","950.18","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","","Mixite","- As3 Bi Cu6 H36 O19 -","- As3 Bi Cu6 H7.99998 O19 -","- As6 Bi2 Cu12 H16 O38 -","2","0.166667","","Miletich, R.; Zemann, J.; Nowak, M.","Reversible hydration in synthetic mixite, BiCu6(OH)6(AsO4)3.nH2O(n<=3): hydration kinetics and crystal chemistry Sample: N2","Physics and Chemistry of Minerals","1997","24","","411","422","10.1007/s002690050055","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9006446","5.3348","","5.3348","","7.7057","","90","","90","","120","","189.924","","","","","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","Cymrite-K","- Al H2 K O9 Si3 -","- Al H2 K O9 Si3 -","- Al H2 K O9 Si3 -","1","0.0416667","","Fasshauer, D. W.; Chatterjee, N. D.; Marler, B.","Synthesis, structure, thermodynamic properties, and stability relations of K-cymrite, K[AlSi3O8].H2O","Physics and Chemistry of Minerals","1997","24","","455","462","10.1007/s002690050060","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006447","18.221","","8.89","","5.226","","90","","90","","90","","846.532","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Orthopyroxene","- Cu0.564 Mg1.436 O6 Si2 -","- Cu0.564 Mg1.436 O6 Si2 -","- Cu4.512 Mg11.488 O48 Si16 -","8","1","","Tachi, T.; Horiuchi, H.; Nagasawa, H.","Structure of Cu-bearing orthopyroxene, Mg(Cu.56,Mg.44)Si2O6, and behavior of Cu2+ in the orthopyroxene structure","Physics and Chemistry of Minerals","1997","24","","463","476","10.1007/s002690050061","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006448","7.8338","","7.8338","","5.0082","","90","","90","","90","","307.345","","","","","","","","0","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W.","Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 0.0 GPa","Physics and Chemistry of Minerals","1997","24","","510","519","10.1007/s002690050066","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006449","7.8154","","7.8154","","4.9919","","90","","90","","90","","304.908","","","","","","","","800000","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W.","Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 0.80 GPa","Physics and Chemistry of Minerals","1997","24","","510","519","10.1007/s002690050066","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006450","7.8071","","7.8071","","4.9821","","90","","90","","90","","303.663","","","","","","","","1250000","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W.","Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 1.25 GPa","Physics and Chemistry of Minerals","1997","24","","510","519","10.1007/s002690050066","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006451","7.8046","","7.8046","","4.9772","","90","","90","","90","","303.17","","","","","","","","1370000","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W.","Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 1.37 GPa","Physics and Chemistry of Minerals","1997","24","","510","519","10.1007/s002690050066","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006452","7.7937","","7.7937","","4.9696","","90","","90","","90","","301.862","","","","","","","","1800000","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W.","Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 1.80 GPa","Physics and Chemistry of Minerals","1997","24","","510","519","10.1007/s002690050066","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006453","7.7677","","7.7677","","4.9495","","90","","90","","90","","298.639","","","","","","","","2780000","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W.","Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 2.78 GPa Note: O2-z changed to match reported bond lengths","Physics and Chemistry of Minerals","1997","24","","510","519","10.1007/s002690050066","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006454","7.7494","","7.7494","","4.9328","","90","","90","","90","","296.23","","","","","","","","3790000","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Yang, H.; Hazen, R. M.; Downs, R. T.; Finger, L. W.","Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure Sample: P = 3.79 GPa","Physics and Chemistry of Minerals","1997","24","","510","519","10.1007/s002690050066","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006455","7.41","","7.41","","7.41","","90","","90","","90","","406.869","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","Perovskite","- Ca2 O6 Si Ti -","- Ca2 O6 Si Ti -","- Ca8 O24 Si4 Ti4 -","4","0.0208333","","Leinenweber, K.; Grzechnik, A.; Voorhees, M.; Navrotsky, A.; Yao, A.; McMillan, P. F.","Structural variations in Ca(TixSi1-x)O3 perovskites (1>x>0.65) and the ordered phase Ca2TiSiO6","Physics and Chemistry of Minerals","1997","24","","528","534","10.1007/s002690050068","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006456","4.211","","4.211","","4.211","","90","","90","","90","","74.672","","","","298","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 298 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006457","4.2181","","4.2181","","4.2181","","90","","90","","90","","75.05","","","","455","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 455 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006458","4.2318","","4.2318","","4.2318","","90","","90","","90","","75.784","","","","710","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 710 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006459","4.2483","","4.2483","","4.2483","","90","","90","","90","","76.674","","","","905","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 905 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006460","4.2576","","4.2576","","4.2576","","90","","90","","90","","77.178","","","","1096","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1096 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006461","4.2665","","4.2665","","4.2665","","90","","90","","90","","77.663","","","","1205","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1205 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006462","4.2703","","4.2703","","4.2703","","90","","90","","90","","77.871","","","","1305","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1305 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006463","4.2736","","4.2736","","4.2736","","90","","90","","90","","78.052","","","","1365","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1365 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006464","4.282","","4.282","","4.282","","90","","90","","90","","78.513","","","","1527","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1527 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006465","4.2924","","4.2924","","4.2924","","90","","90","","90","","79.086","","","","1598","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1598 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006466","4.2993","","4.2993","","4.2993","","90","","90","","90","","79.468","","","","1685","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1685 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006467","4.3089","","4.3089","","4.3089","","90","","90","","90","","80.002","","","","1870","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1870 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006468","4.3141","","4.3141","","4.3141","","90","","90","","90","","80.292","","","","1915","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1915 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006469","4.3272","","4.3272","","4.3272","","90","","90","","90","","81.025","","","","2055","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2055 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006470","4.3305","","4.3305","","4.3305","","90","","90","","90","","81.211","","","","2106","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2106 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006471","4.3425","","4.3425","","4.3425","","90","","90","","90","","81.888","","","","2245","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2245 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006472","4.3481","","4.3481","","4.3481","","90","","90","","90","","82.205","","","","2297","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2297 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006473","4.3554","","4.3554","","4.3554","","90","","90","","90","","82.62","","","","2395","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2395 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006474","4.3564","","4.3564","","4.3564","","90","","90","","90","","82.677","","","","2408","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2408 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006475","4.3741","","4.3741","","4.3741","","90","","90","","90","","83.689","","","","2592","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2592 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006476","4.3842","","4.3842","","4.3842","","90","","90","","90","","84.27","","","","2703","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2703 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006477","4.3915","","4.3915","","4.3915","","90","","90","","90","","84.691","","","","2785","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2785 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006478","4.3971","","4.3971","","4.3971","","90","","90","","90","","85.016","","","","2848","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2848 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006479","4.4041","","4.4041","","4.4041","","90","","90","","90","","85.422","","","","2912","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2912 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006480","4.4112","","4.4112","","4.4112","","90","","90","","90","","85.836","","","","2986","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2986 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006481","4.4195","","4.4195","","4.4195","","90","","90","","90","","86.322","","","","3031","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3031 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006482","4.4424","","4.4424","","4.4424","","90","","90","","90","","87.67","","","","3065","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3065 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006483","4.4453","","4.4453","","4.4453","","90","","90","","90","","87.842","","","","3086","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3086 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006484","4.4403","","4.4403","","4.4403","","90","","90","","90","","87.546","","","","3040","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3040 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006485","4.4166","","4.4166","","4.4166","","90","","90","","90","","86.152","","","","3015","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3015 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006486","3.1648","","3.1648","","3.1648","","90","","90","","90","","31.699","","","","298","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 298 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006487","3.1672","","3.1672","","3.1672","","90","","90","","90","","31.771","","","","455","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 455 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006488","3.1731","","3.1731","","3.1731","","90","","90","","90","","31.949","","","","905","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 905 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006489","3.1738","","3.1738","","3.1738","","90","","90","","90","","31.97","","","","918","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 918 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006490","3.1775","","3.1775","","3.1775","","90","","90","","90","","32.082","","","","1205","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1205 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006491","3.1804","","3.1804","","3.1804","","90","","90","","90","","32.17","","","","1363","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1363 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006492","3.1822","","3.1822","","3.1822","","90","","90","","90","","32.224","","","","1410","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1410 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006493","3.1837","","3.1837","","3.1837","","90","","90","","90","","32.27","","","","1527","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1527 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006494","3.1824","","3.1824","","3.1824","","90","","90","","90","","32.23","","","","1537","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1537 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006495","3.1866","","3.1866","","3.1866","","90","","90","","90","","32.358","","","","1685","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1685 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006496","3.1913","","3.1913","","3.1913","","90","","90","","90","","32.501","","","","1846","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1846 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006497","3.1908","","3.1908","","3.1908","","90","","90","","90","","32.486","","","","1870","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 1870 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006498","3.1926","","3.1926","","3.1926","","90","","90","","90","","32.541","","","","2032","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2032 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006499","3.1946","","3.1946","","3.1946","","90","","90","","90","","32.602","","","","2171","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2171 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006500","3.1979","","3.1979","","3.1979","","90","","90","","90","","32.704","","","","2310","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2310 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006501","3.2026","","3.2026","","3.2026","","90","","90","","90","","32.848","","","","2450","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2450 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006502","3.2079","","3.2079","","3.2079","","90","","90","","90","","33.011","","","","2620","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2620 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006503","3.2094","","3.2094","","3.2094","","90","","90","","90","","33.058","","","","2720","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2720 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006504","3.2116","","3.2116","","3.2116","","90","","90","","90","","33.126","","","","2774","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2774 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006505","3.2134","","3.2134","","3.2134","","90","","90","","90","","33.181","","","","2830","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2830 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006506","3.2165","","3.2165","","3.2165","","90","","90","","90","","33.277","","","","2929","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2929 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006507","3.2219","","3.2219","","3.2219","","90","","90","","90","","33.445","","","","3130","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3130 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006508","3.2238","","3.2238","","3.2238","","90","","90","","90","","33.505","","","","3190","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3190 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006509","3.2275","","3.2275","","3.2275","","90","","90","","90","","33.62","","","","3316","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3316 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006510","3.2332","","3.2332","","3.2332","","90","","90","","90","","33.799","","","","3470","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3470 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006511","3.2358","","3.2358","","3.2358","","90","","90","","90","","33.88","","","","3548","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3548 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006512","3.23","","3.23","","3.23","","90","","90","","90","","33.698","","","","3430","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3430 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006513","3.2248","","3.2248","","3.2248","","90","","90","","90","","33.536","","","","3220","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 3220 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006514","3.2166","","3.2166","","3.2166","","90","","90","","90","","33.281","","","","2986","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2986 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006515","3.2131","","3.2131","","3.2131","","90","","90","","90","","33.172","","","","2785","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2785 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006516","3.2099","","3.2099","","3.2099","","90","","90","","90","","33.073","","","","2650","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2650 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006517","3.2087","","3.2087","","3.2087","","90","","90","","90","","33.036","","","","2592","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2592 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006518","3.2015","","3.2015","","3.2015","","90","","90","","90","","32.814","","","","2395","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2395 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006519","3.1979","","3.1979","","3.1979","","90","","90","","90","","32.704","","","","2245","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2245 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006520","3.1946","","3.1946","","3.1946","","90","","90","","90","","32.602","","","","2055","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Dubrovinsky, L. S.; Saxena, S. K.","Thermal expansion of periclase (MgO) and tungsten (W) to melting temperatures Sample: T = 2055 K","Physics and Chemistry of Minerals","1997","24","","547","550","10.1007/s002690050070","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006521","9.9736","","9.9736","","9.9736","","90","","90","","90","","992.101","","","","","","","","0","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Kalininite","- Cr2 S4 Zn -","- Cr2 S4 Zn -","- Cr16 S32 Zn8 -","8","0.0416667","","Wittlinger, J.; Werner, S.; Schulz, H.","On the amorphisation of ZnCr2S4 spinel under high pressure: x-ray diffraction studies Sample: P = 0 GPa","Physics and Chemistry of Minerals","1997","24","","597","600","10.1007/s002690050077","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006522","9.9306","","9.9306","","9.9306","","90","","90","","90","","979.324","","","","","","","","1060000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Kalininite","- Cr2 S4 Zn -","- Cr2 S4 Zn -","- Cr16 S32 Zn8 -","8","0.0416667","","Wittlinger, J.; Werner, S.; Schulz, H.","On the amorphisation of ZnCr2S4 spinel under high pressure: x-ray diffraction studies Sample: P = 1.06 GPa","Physics and Chemistry of Minerals","1997","24","","597","600","10.1007/s002690050077","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006523","9.8415","","9.8415","","9.8415","","90","","90","","90","","953.2","","","","","","","","4200000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Kalininite","- Cr2 S4 Zn -","- Cr2 S4 Zn -","- Cr16 S32 Zn8 -","8","0.0416667","","Wittlinger, J.; Werner, S.; Schulz, H.","On the amorphisation of ZnCr2S4 spinel under high pressure: x-ray diffraction studies Sample: P = 4.2 GPa","Physics and Chemistry of Minerals","1997","24","","597","600","10.1007/s002690050077","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006524","9.7738","","9.7738","","9.7738","","90","","90","","90","","933.663","","","","","","","","7190000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Kalininite","- Cr2 S4 Zn -","- Cr2 S4 Zn -","- Cr16 S32 Zn8 -","8","0.0416667","","Wittlinger, J.; Werner, S.; Schulz, H.","On the amorphisation of ZnCr2S4 spinel under high pressure: x-ray diffraction studies Sample: P = 7.19 GPa","Physics and Chemistry of Minerals","1997","24","","597","600","10.1007/s002690050077","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006525","7.4857","","7.675","","5.7751","","90","","90","","90","","331.795","","","","","","","","0","","","","","3","P b n m","-P 2c 2ab","62","","","Sillimanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; Downs, R. T.","Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure Sample: P = 0.00 GPa","Physics and Chemistry of Minerals","1997","25","","39","47","10.1007/s002690050084","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9006526","7.4732","","7.652","","5.7631","","90","","90","","90","","329.562","","","","","","","","1230000","","","","","3","P b n m","-P 2c 2ab","62","","","Sillimanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; Downs, R. T.","Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure Sample: P = 1.23 GPa","Physics and Chemistry of Minerals","1997","25","","39","47","10.1007/s002690050084","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9006527","7.4537","","7.6238","","5.756","","90","","90","","90","","327.088","","","","","","","","2540000","","","","","3","P b n m","-P 2c 2ab","62","","","Sillimanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; Downs, R. T.","Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure Sample: P = 2.54 GPa","Physics and Chemistry of Minerals","1997","25","","39","47","10.1007/s002690050084","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9006528","7.4345","","7.5989","","5.7507","","90","","90","","90","","324.88","","","","","","","","3720000","","","","","3","P b n m","-P 2c 2ab","62","","","Sillimanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; Downs, R. T.","Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure Sample: P = 3.72 GPa","Physics and Chemistry of Minerals","1997","25","","39","47","10.1007/s002690050084","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9006529","7.4146","","7.5739","","5.745","","90","","90","","90","","322.624","","","","","","","","5290000","","","","","3","P b n m","-P 2c 2ab","62","","","Sillimanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; Downs, R. T.","Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure Sample: P = 5.29 GPa","Physics and Chemistry of Minerals","1997","25","","39","47","10.1007/s002690050084","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9009402","6.097","","7.145","","8.434","","76.54","","70.3","","70.75","","323.495","","","","","","","","","","","","Cerchiara mine, Val di Vara, northern Apennines, Italy","4","P -1","-P 1","2","","","Caoxite","- C2 H6 Ca O7 -","- C2 H6 Ca O7 -","- C4 H12 Ca2 O14 -","2","1","","Basso, R.; Lucchetti, G.; Zefiro, L.; Palenzona, A.","Caoxite, Ca(H2O)3(C2O4), a new mineral from the Cerchiara mine, northern Apennines, Italy","Neues Jahrbuch fur Mineralogie, Monatshefte","1997","1997","","84","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9009502","6.1413","","3.9191","","14.524","","90","","90","","90","","349.569","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Emplectite","- Bi Cu S2 -","- Bi Cu S2 -","- Bi4 Cu4 S8 -","4","0.5","","Razmara, M. F.; Henderson, C. M. B.; Pattrick, R. A. D.; Bell, A. M. T.; Charnock, L. M.","The crystal chemistry of the solid solution series between chalcostibite (CuSbS2) and emplectite (CuBiS2) Note: synthetic","Mineralogical Magazine","1997","61","","79","88","10.1180/minmag.1997.061.404.08","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009503","6.016","","3.7968","","14.499","","90","","90","","90","","331.18","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Chalcostibite","- Cu S2 Sb -","- Cu S2 Sb -","- Cu4 S8 Sb4 -","4","0.5","","Razmara, M. F.; Henderson, C. M. B.; Pattrick, R. A. D.; Bell, A. M. T.; Charnock, L. M.","The crystal chemistry of the solid solution series between chalcostibite (CuSbS2) and emplectite (CuBiS2) Note: synthetic","Mineralogical Magazine","1997","61","","79","88","10.1180/minmag.1997.061.404.08","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009504","7.331","","7.331","","16.885","","90","","90","","120","","785.883","","","","","","","","","","","","Kintore opencut, Broken Hill, New South Wales, Australia","7","R -3 m :H","-R 3 2""","166","","","Kintoreite","- As0.32 Fe3 H6 O14 P1.46 Pb S0.22 -","- As0.32 Fe3 H6 O14 P1.46 Pb0.9996 S0.22 -","- As0.96 Fe9 H18 O42 P4.38 Pb2.9988 S0.66 -","3","0.0833333","","Kharisun; Taylor, M. R.; Bevan, D. J. M.; Pring, A.","The crystal structure of kintoreite, PbFe3(PO4)2(OH,H2O)6 Note: occupancy of P and As are switched from the reported values","Mineralogical Magazine","1997","61","","123","129","10.1180/minmag.1997.061.404.12","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9009505","6.375","","6.375","","8.399","","90","","90","","120","","295.61","","","","","","","","","","","","Main Tolbachik Fracture Eruption of Kamchatka","4","P 3","P 3","143","","","Averievite","- Cl2 Cu6.01 O10 V2 -","- Cl2 Cu6.01 O10 V2 -","- Cl2 Cu6.01 O10 V2 -","1","0.333333","","Starova, G. L.; Krivovichev, S. V.; Fundamensky, V. S.; Filatov, S. K.","The crystal structure of averievite, Cu5O2(VO4)2*nMX: comparison with related compounds Note: Coordinates for O6 added to the dataset by Krivovichev Aug 2005","Mineralogical Magazine","1997","61","","441","446","10.1180/minmag.1997.061.406.09","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009506","8.408","","5.372","","6.897","","90","","90","","90","","311.522","","","","","","","","","","","","filling cavities of volcanoclastic rocks, Montecchio Maggiore, Vicenza, Italy","4","P n m a","-P 2ac 2n","62","","","Celestine","- Ba0.13 O4 S Sr0.87 -","- Ba0.13 O4 S Sr0.87 -","- Ba0.52 O16 S4 Sr3.48 -","4","0.5","","Brigatti, M. F.; Galli, E.; Medici, L.","Ba-rich celestine: new data and crystal structure refinement","Mineralogical Magazine","1997","61","","447","451","10.1180/minmag.1997.061.406.10","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009507","35.1231","","35.1231","","35.1231","","90","","90","","90","","43329","","","","","","","","","","","","Vinaricka Hora, Czech Republic","8","I m -3 m","-I 4 2 3","229","","","Paulingite-Ca","- Al45.36 Ba5.749 Ca10.25 H432 K9 Na0.312 O434.75 Si122.64 -","- Al45.36 Ba5.7492 Ca10.2496 H197.501 K9 Na0.3123 O434.75 Si122.64 -","- Al181.44 Ba22.9968 Ca40.9984 H790.003 K36 Na1.2492 O1739 Si490.56 -","4","0.0416667","","Lengauer, C. L.; Giester, G.; Tillmanns, E.","Mineralogical characterization of paulingite from Vinaricka Hora, Czech Republic Locality: Vinaricka Hora, Czech Republic","Mineralogical Magazine","1997","61","","591","606","10.1180/minmag.1997.061.407.10","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9009508","12.824","","4.406","","13.193","","90","","98.567","","90","","737.121","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","Miargyrite","- Ag S2 Sb -","- Ag S2 Sb -","- Ag8 S16 Sb8 -","8","2","","Smith, J. V.; Pluth, J. J.; Han, S.","Crystal structure refinement of miargyrite, AgSbS2","Mineralogical Magazine","1997","61","","671","675","10.1180/minmag.1997.061.408.05","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009509","7.5092","","9.0438","","5.9343","","90","","90","","90","","403.008","","","","","","","","","","","","Sonora, Mexico","5","P 21 21 21","P 2ac 2ab","19","","","Austinite","- As Ca H O5 Zn -","- As Ca H O5 Zn -","- As4 Ca4 H4 O20 Zn4 -","4","1","","Clark, L. A.; Pluth, J. J.; Steele, I. M.; Smith, J. V.; Sutton, S. R.","Crystal structure of austinite, CaZn(AsO4)OH","Mineralogical Magazine","1997","61","","677","683","10.1180/minmag.1997.061.408.06","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009510","9.066","","6.286","","7.564","","90","","114.857","","90","","391.13","","","","","","","","","","","","Broken Hill, New South Wales, Australia, type specimen","5","C 1 2/m 1","-C 2y","12","","","Mawbyite","- As2 Fe2 H2 O10 Pb -","- As2 Fe2 H2 O10 Pb -","- As4 Fe4 H4 O20 Pb2 -","2","0.25","","Kharisun; Taylor, M. R.; Bevan, D. J. M.; Rae, A. D.; Pring, A.","The crystal structure of mawbyite, PbFe2(AsO4)2(OH)2","Mineralogical Magazine","1997","61","","685","691","10.1180/minmag.1997.061.408.07","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009697","6.364","","6.364","","6.364","","90","","90","","90","","257.745","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Damiaoite","- In2 Pt -","- In2 Pt -","- In8 Pt4 -","4","0.0208333","","Yu, Z.","Damiaoite - a new native indium and platinum alloy Fluorite structure","Acta Geologica Sinica","1997","71","","328","331","10.1111/j.1755-6724.1997.tb00373.x","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009698","3.988","","3.988","","3.988","","90","","90","","90","","63.426","","","","","","","","","","","","Yixun River, 270 km north of Beijing, China","2","P m -3 m","-P 4 2 3","221","","","Yixunite","- In Pt3 -","- In Pt3 -","- In Pt3 -","1","0.0208333","","Yu, Z.","Yixunite - an ordered new native indium and platinum alloy","Acta Geologica Sinica","1997","71","","332","335","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009772","12.522","","7.222","","22.987","","90","","84.791","","90","","2070.22","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","","- Ca2.55 Nd1.91 O28 Ti7.28 Zr3.22 -","- Ca2.55 Nd1.91 O28 Ti7.28 Zr3.22 -","- Ca10.2 Nd7.64 O112 Ti29.12 Zr12.88 -","4","0.5","","Coelho, A. A.; Cheary, R. W.; Smith, K. L.","Analysis and structural determination of Nd-substituted zirconolite-4M","Journal of Solid State Chemistry","1997","129","","346","359","10.1006/jssc.1996.7263","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009773","10.667","","2.871","","4.554","","90","","90","","90","","139.466","","","","","","","","","","","","Nchwaning Mine, Kalahari manganese field, Republic of South Africa","3","P n m a","-P 2ac 2n","62","","","Groutite","- H Mn O2 -","- H Mn O2 -","- H4 Mn4 O8 -","4","0.5","","Kohler, T.; Armbruster, T.; Libowitzky, E.","Hydrogen bonding and Jahn-Teller distortion in groutite, alpha-MnOOH, and manganite, gamma-MnOOH, and their relations to the manganese dioxides ramsdellite and pyrolusite","Journal of Solid State Chemistry","1997","133","","486","500","10.1006/jssc.1997.7516","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009774","5.304","","5.277","","5.304","","90","","114.38","","90","","135.217","","","","","","","","","","","","Nchwaning Mine, Kalahari manganese field, Republic of South Africa","3","P 1 21/c 1","-P 2ybc","14","","","Manganite","- H Mn O2 -","- H Mn O2 -","- H4 Mn4 O8 -","4","1","","Kohler, T.; Armbruster, T.; Libowitzky, E.","Hydrogen bonding and Jahn-Teller distortion in groutite, alpha-MnOOH, and manganite, gamma-MnOOH, and their relations to the manganese dioxides ramsdellite and pyrolusite Note: Uiso corrected","Journal of Solid State Chemistry","1997","133","","486","500","10.1006/jssc.1997.7516","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009846","6.863","","15.387","","10.181","","90","","90","","90","","1075.12","","","","","","","","","","","","Ettringer Bellerberg volcano, Eifel, Germany","4","P n m a","-P 2ac 2n","62","","","Ternesite","- Ca5 O12 S Si2 -","- Ca5 O12 S Si2 -","- Ca20 O48 S4 Si8 -","4","0.5","","Irran, E.; Tillmanns, E.; Hentschel, G.","Ternesite, Ca5(SiO4)2SO4, a new mineral from the Ettringer Bellerberg/Eifel, Germany Locality: Ettringer Bellerberg volcano, Eifel, Germany","Mineralogy and Petrology","1997","60","","121","132","10.1007/BF01163138","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009949","7.162","","9.207","","8.972","","91.84","","98.16","","77.34","","571.39","","","","","","","","","","","","","9","P -1","-P 1","2","","","Manganaxinite","- Al1.8 B Ca1.65 Fe0.2 H0.5 Mg0.1 Mn1.2 O16 Si4 -","- Al1.8 B Ca1.65 Fe0.2 H Mg0.1 Mn1.2 O16 Si4 -","- Al3.6 B2 Ca3.3 Fe0.4 H2 Mg0.2 Mn2.4 O32 Si8 -","2","1","","Belokoneva E L; Pletnev P A; Spiridonov E M","Crystal structure of low-manganese tinzenite (severginite) Note: O2 position not included in the paper, so we deduced it from the reported bondlengths Locality: Tungatarovskoe manganese deposit, Izhevsk, Udmurt Republic, Russia","Crystallography Reports","1997","42","","934","937","","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52",""
"9010677","4.86145","","10.5839","","6.1698","","90","","90","","90","","317.455","","","","293.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 20 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010678","4.86394","","10.5915","","6.1751","","90","","90","","90","","318.119","","","","373.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 100 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010679","4.86743","","10.6011","","6.18226","","90","","90","","90","","319.005","","","","473.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 200 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010680","4.87189","","10.6134","","6.1905","","90","","90","","90","","320.094","","","","573.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 300 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010681","4.8765","","10.6249","","6.19849","","90","","90","","90","","321.158","","","","673.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 400 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010682","4.87826","","10.6312","","6.20213","","90","","90","","90","","321.653","","","","723.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 450 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010683","4.88292","","10.6447","","6.21066","","90","","90","","90","","322.813","","","","823.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 550 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010684","4.88544","","10.6499","","6.21456","","90","","90","","90","","323.34","","","","873.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 600 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010685","4.88766","","10.6543","","6.21842","","90","","90","","90","","323.822","","","","923.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 650 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010686","4.89032","","10.6595","","6.22274","","90","","90","","90","","324.381","","","","973.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 700 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010687","4.89292","","10.6653","","6.227","","90","","90","","90","","324.953","","","","1023.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 750 degree C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010688","4.8957","","10.6711","","6.2309","","90","","90","","90","","325.518","","","","1073.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 800 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010689","4.89828","","10.6766","","6.2354","","90","","90","","90","","326.093","","","","1123.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 850 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010690","4.901","","10.6834","","6.2399","","90","","90","","90","","326.717","","","","1173.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 900 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010691","4.9041","","10.6899","","6.2441","","90","","90","","90","","327.343","","","","1223.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 950 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010692","4.9067","","10.6964","","6.2491","","90","","90","","90","","327.978","","","","1273.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 1000 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010693","4.8957","","10.671","","6.2316","","90","","90","","90","","325.551","","","","1073.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 800 C, Data collected on cooling","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010694","4.885","","10.649","","6.2141","","90","","90","","90","","323.26","","","","873.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 600 C, Data collected on cooling","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010695","4.8824","","10.6432","","6.2103","","90","","90","","90","","322.714","","","","823.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 550 C, Data collected on cooling","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010696","4.8798","","10.6376","","6.206","","90","","90","","90","","322.149","","","","773.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 500 C, Data collected on cooling","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010697","4.8776","","10.6325","","6.2019","","90","","90","","90","","321.637","","","","723.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 450 C, Data collected on cooling","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010698","4.8754","","10.626","","6.198","","90","","90","","90","","321.094","","","","673.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 400 C, Data collected on cooling","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010699","4.8671","","10.6043","","6.1828","","90","","90","","90","","319.108","","","","473.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Fe Mn O4 Si -","- Fe Mn O4 Si -","- Fe4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Data collected at ISIS, Rutherford Appleton Laboratory Sample: T = 200 C, Data collected on cooling","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010700","4.81694","","10.474","","6.13964","","90","","90","","90","","309.761","","","","293.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 20 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010701","4.82397","","10.4977","","6.1515","","90","","90","","90","","311.516","","","","473.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 200 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010702","4.82822","","10.5114","","6.1582","","90","","90","","90","","312.537","","","","573.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 300 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010703","4.83184","","10.5276","","6.1653","","90","","90","","90","","313.615","","","","673.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 400 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010704","4.83275","","10.5385","","6.1689","","90","","90","","90","","314.182","","","","723.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 450 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010705","4.83551","","10.5439","","6.1727","","90","","90","","90","","314.716","","","","773.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 500 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010706","4.83884","","10.5478","","6.17606","","90","","90","","90","","315.221","","","","823.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 550 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010707","4.8423","","10.5515","","6.1795","","90","","90","","90","","315.732","","","","873.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 600 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010708","4.8459","","10.5566","","6.183","","90","","90","","90","","316.299","","","","923.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 650 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010709","4.8495","","10.561","","6.1873","","90","","90","","90","","316.886","","","","973.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 700 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010710","4.853","","10.5664","","6.1908","","90","","90","","90","","317.456","","","","1023.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 750 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010711","4.8657","","10.5893","","6.2066","","90","","90","","90","","319.791","","","","1073.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 800 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010712","4.8592","","10.5772","","6.1988","","90","","90","","90","","318.598","","","","1123.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 850 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010713","4.8628","","10.5827","","6.2022","","90","","90","","90","","319.175","","","","1173.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 900 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010714","4.8657","","10.5894","","6.2066","","90","","90","","90","","319.794","","","","1223.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 950 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9010715","4.8691","","10.5954","","6.2114","","90","","90","","90","","320.447","","","","1273.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Mg Mn O4 Si -","- Mg Mn O4 Si -","- Mg4 Mn4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","High-temperature order-disorder in (Fe0.5Mn0.5)2SiO4 and (Mg0.5Mn0.5)2SiO4 olivines: an in situ neutron diffraction study Sample: T = 1000 C","European Journal of Mineralogy","1997","9","","287","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011510","10.2867","","10.2867","","10.2867","","90","","90","","90","","1088.5","","","","","","","","","","","","Synthetic","3","I -4 3 d","I -4bd 2c 3","220","","","Eulytine","- Bi4 O12 Si3 -","- Bi16 O48 Si12 -","- Bi16 O48 Si12 -","","","","Liu, H.; Kuo, C.","Crystal structure of bismuth(III) silicate, Bi4(SiO4)3","Zeitschrift fur Kristallographie","1997","212","","48","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:29",""
"9011511","8.3556","","8.3556","","13.025","","90","","90","","120","","787.524","","","","","","","","","","","","San Francisco mine, Sierra Gorda, Chile","6","P -3","-P 3","147","","","Gordaite","- Cl H18 Na O16 S Zn4 -","- Cl2 H36 Na2 O32 S2 Zn8 -","- Cl2 H36 Na2 O32 S2 Zn8 -","","","","Adiwidjaja, G.; Friese, K.; Klaska, K. H.; Schluter, J.","The crystal structure of gordaite NaZn4(SO4)(OH)6Cl*6H2O","Zeitschrift fur Kristallographie","1997","212","","704","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:29",""
"9011760","6.971","","7.535","","10.881","","90","","107","","90","","546.567","","","","","","","","","","","","Hechtsberg quarry, Hausach, Black Forest, Germany","5","P 1 21/c 1","-P 2ybc","14","","","Hechtsbergite","- As0.03 Bi2 H O6 V0.97 -","- As0.03 Bi2 H O6 V0.97 -","- As0.12 Bi8 H4 O24 V3.88 -","4","1","","Krause, W.; Bernhardt, H. J.; Blass, G.; Effenberger, H.; Graf, H. W.","Hechtsbergite, Bi2O(OH)(VO4), a new mineral from the Black Forest, Germany","Neues Jahrbuch fur Mineralogie, Monatshefte","1997","1997","","271","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011780","9.067","","12.896","","25.708","","89.98","","90.08","","90.22","","3005.96","","","","","","","","","","","","","6","P 1","P 1","1","","","Lazurite","- Al24 Ca4 Na28 O119 S8.49 Si24 -","- Al24 Ca4 Na28 O119 S8.49 Si24 -","- Al24 Ca4 Na28 O119 S8.49 Si24 -","","","","Evsyunin, V. G.; Sapozhnikov, A. N.; Kashaev, A. A.; Rastsvetaeva, R. K.","Crystal structure of triclinic lazurite Loclaity: Malaya-Bystray deposit, Lake Baikal, Russia","Kristallografiya","1997","42","","1014","1021","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:58",""
"9011912","9.6641","","9.6641","","7.1825","","90","","90","","120","","580.937","","","","","","","","","","","","Mt. Kukisvumchorr, Khibiny alkaline massif, Kola Peninsula, Russia","9","P -3","-P 3","147","","","Belovite-(La)","- Ba0.12 Ca0.06 Ce0.4 F La0.599 Na0.981 O12 P3 Sr2.754 -","- Ba0.24 Ca0.12 Ce0.8 F2 La1.198 Na1.962 O24 P6 Sr5.508 -","- Ba0.24 Ca0.12 Ce0.8 F2 La1.198 Na1.962 O24 P6 Sr5.508 -","","","","Kabalov, Y. K.; Sokolova, E. V.; Pekov, I. V.","Crystal structure of belovite-(La)","Soviet Physics Doklady","1997","42","","344","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:31",""
"9011936","7.35","","14.153","","7.124","","90","","90","","90","","741.071","","","","","","","","","","","","","6","P b a m","-P 2 2ab","55","","","Nenadkevichite","- H4 Na1.09 Nb0.3 O8.85 Si2 Ti0.7 -","- H4 Na1.09 Nb0.3 O8.85 Si2 Ti0.7 -","- H16 Na4.36 Nb1.2 O35.4 Si8 Ti2.8 -","4","0.5","","Rastsvetaeva, R. K.; Chukanov, N. V.; Pekov, I. V.","Crystal structure of a new mineral - titanium analog of orthorhombic nenadkevichite","Doklady Akademii Nauk SSSR","1997","357","","364","367","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9011993","15.1","","17.6","","5.29","","90","","100.5","","90","","1382.33","","","","","","","","","","","","Yubileinaya pegmatite, Karnasurt Mountain, Lovozero massif,","6","C 1 2/m 1","-C 2y","12","","","Raite","- H22 Mn3 Na3 O32 Si8 Ti0.226 -","- H22 Mn3 Na3 O32 Si8 Ti0.226 -","- H44 Mn6 Na6 O64 Si16 Ti0.452 -","2","0.25","","Pluth, J. J.; Smith, J. V.; Pushcharovsky, D. Y.; Semenov, E. I.; Bram, A.; Riekel, C.; Weber, H. P.; Broach, R. W.","Third-generation synchrotron X-ray diffraction of 6-mue-m crystal of raite, ~Na3Mn3Ti0.25Si8O20(OH)2*10(H2O) opens up new chemistry and physics of low-temperature minerals Kola Peninsula, Russia","Proceedings of the National Academy of Sciences of the United States of America","1997","94","","12263","12267","10.1073/pnas.94.23.12263","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012068","10.421","","10.421","","10.421","","90","","90","","90","","1131.69","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Microlite","- Ca2 F O6 Ta2 -","- Ca16 F8 O48 Ta16 -","- Ca16 F8 O48 Ta16 -","","","","Siegrist, T.; Cava, R. J.; Krajewski, J. J.","Reduced alkaline earth tantalates Note: isostructural with fluornatromicrolite","Materials Research Bulletin","1997","32","","881","887","10.1016/S0025-5408(97)00066-4","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:40",""
"9012069","12.282","","12.282","","3.864","","90","","90","","90","","582.875","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- O15 Sr2.83 Ta5 -","- O30 Sr5.66 Ta10 -","- O30 Sr5.66 Ta10 -","","","","Siegrist, T.; Cava, R. J.; Krajewski, J. J.","Reduced alkaline earth tantalates","Materials Research Bulletin","1997","32","","881","887","10.1016/S0025-5408(97)00066-4","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:40",""
"9012070","7.773","","7.773","","35.414","","90","","90","","120","","1853.03","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ba2 O32 Ta15 -","- Ba6 O96 Ta45 -","- Ba6 O96 Ta45 -","","","","Siegrist, T.; Cava, R. J.; Krajewski, J. J.","Reduced alkaline earth tantalates","Materials Research Bulletin","1997","32","","881","887","10.1016/S0025-5408(97)00066-4","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:40",""
"9012222","14.1875","","5.7001","","5.0331","","90","","90","","90","","407.028","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Magnocolumbite","- Mg Nb2 O6 -","- Mg4 Nb8 O24 -","- Mg4 Nb8 O24 -","","","","Pagola, S.; Carbonio, R. E.; Alonso, J. A.; Fernandez-Diaz M T","Crystal structure refinement of Mg Nb2 O6 columbite from neutron powder diffraction data and study of the ternary system MgO-Nb2O5-NbO, with evidence of formation of new reduced pseudobrookite Mg5-xNb4+xO15-d (1.14<x<1.60) phases Locality: synthetic Note: reported and calculated Biso(O2)'s do not match","Journal of Solid State Chemistry","1997","134","","76","84","10.1006/jssc.1997.7538","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52",""
"9012398","9.377","","9.377","","36.57","","90","","90","","120","","2784.73","","","","","","","","","","","","Alter Berg, Radzein","5","R -3 :H","-R 3","148","","","Zeophyllite","- Ca13 F10 H12 O34 Si10 -","- Ca13 F10 H12 O34 Si10 -","- Ca39 F30 H36 O102 Si30 -","3","0.166667","","Mikenda, W.; Pertlik, F.; Povondra, P.; Ulrych, J.","On zeophyllite from Radejcin, Ceske stredohori Mts.: X-ray and IR-investigations Locality: Alter Berg, Radzein Note: z-coordinate of Si2 was changed from 0.70304 to 0.07304 to match reported bond lengths","Mineralogy and Petrology","1997","61","","199","209","10.1007/BF01172484","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9012419","20.201","","19.991","","13.469","","90","","90","","90","","5439.3","","","","","","","","","","","","Mt. Adamson, Northern Victoria Land, Antarctica","6","P n m a","-P 2ac 2n","62","","","Mutinaite","- Al2.808 Ca0.685 H44.28 Na0.444 O56.971 Si21.192 -","- Al2.808 Ca0.685 H17.942 Na0.444 O56.971 Si21.192 -","- Al11.232 Ca2.74 H71.768 Na1.776 O227.884 Si84.768 -","4","0.5","","Vezzalini, G.; Quartieri, S.; Galli, E.; Alberti, A.; Cruciani, G.; Kvick, A.","Crystal structure of the zeolite mutinaite, the natural analog of ZSM-5 Note: reported occupancies do not match reported chemistry","Zeolites","1997","19","","323","325","10.1016/S0144-2449(97)00124-3","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9012527","6.386","","12.7796","","6.387","","90","","90.172","","90","","521.244","","","","","","","","","","","","","5","P 1 n 1","P -2yac","7","","","Bariosincosite","- Ba H8 O14 P2 V2 -","- Ba H8 O14 P2 V2 -","- Ba2 H16 O28 P4 V4 -","2","1","","Roca, M.; Marcos, M. D.; Amoros, P.; Alamo, J.; Beltran-Porter A; Beltran-Porter D","Synthesis and crystal structure of a novel lamellar barium derivative: Ba(VOPO4)2*4H2O. Synthetic pathways for layered oxovanadium phosphate hydrates M(VOPO4)2*nH2O","Inorganic Chemistry","1997","36","","3414","3421","10.1021/ic970166+","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012628","5.24","","9.103","","19.93","","90","","95.59","","90","","946.134","","","","","","","","","","","","Slyudyanka, Irkutsk, Russia","11","C 1 2/c 1","-C 2yc","15","","","Chromphyllite","- Al1.28 Ba0.14 Cr1.42 F0.3 H1.7 K0.82 Mg0.18 Na0.04 O11.7 Si3 V0.12 -","- Al1.28 Ba0.14 Cr1.42 F0.3 H1.7 K0.82 Mg0.18 Na0.04 O11.7 Si3 V0.12 -","- Al5.12 Ba0.56 Cr5.68 F1.2 H6.8 K3.28 Mg0.72 Na0.16 O46.8 Si12 V0.48 -","4","0.5","","Evsyunin, V. G.; Kashaev, A. A.; Rastsvetaeva, R. K.","Crystal structure of a new representative of Cr micas","Crystallography Reports","1997","42","","571","574","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9012746","12.326","","2.907","","10.369","","90","","97.9","","90","","368.013","","","","","","","","","","","","Khaidarkan, Kyrgyzstan","5","C 1 2/m 1","-C 2y","12","","","Khaidarkanite","- Al0.745 Cu F0.73 H4.5 O4 -","- Al0.745 Cu F0.73 H4.5 O4 -","- Al2.98 Cu4 F2.92 H18 O16 -","4","0.5","","Rastsvetaeva, R. K.; Chukanov, N. V.; Karpenko, V. Y.","Crystal structure of new native compound Cu4Al3(OH)14F3(H2O)2","Doklady Chemistry","1997","353","","45","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9012772","6.354","","6.329","","6.598","","106.72","","94.1","","90.06","","253.402","","","","","","","","","","","","Synthetic","5","P 1","P 1","1","","","Sincosite","- Ca H8 O14 P2 V2 -","- Ca H8 O14 P2 V2 -","- Ca H8 O14 P2 V2 -","","","","Franke, W. A.; Luger, P.; Weber, M.; Ivanova, T. I.","Low hydrothermal growth of sincosite Ca(VO/PO4)2*4H2O","Zapiski Vserossijskogo Mineralogicheskogo Obshchestva","1997","","","85","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:12",""
"9012838","13.026","","10.015","","11.115","","90","","104.34","","90","","1404.83","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","Felsobanyaite","- Al4 H18 O18 S -","- Al4 O18 S -","- Al16 O72 S4 -","4","2","","Farkas, L.; Pertlik, F.","Crystal structure determinations of felsobanyaite and basaluminite, Al4(SO4)(OH)10*4H2O Locality: Felsobanya, Hungary","Acta Mineralogica Petrographica","1997","38","","5","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9012897","5.347","","7.284","","5.132","","109.15","","97.9","","106.52","","175.051","","","","","","","","","","","","Synthetic","5","P -1","-P 1","2","","","Tavorite","- Fe H Li O5 P -","- Fe0.99999 H Li O5 P -","- Fe0.99999 H Li O5 P -","","","","Yakubovich, O. V.; Urusov, V. S.","The structure and electron density of Fe2+ -bearing tavorite in relation to the genetic crystal chemistry of secondary phosphates of lithium pegmatites","Geochemistry International","1997","35","","630","638","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:05",""
"9012906","7.178","","11.473","","30.39","","90","","90","","90","","2502.71","","","","","","","","","","","","Shinkolobwe mine, Shaba, southern Congo","3","P 21 c n","P -2n 2a","33","","","Ianthinite","- H22.62 O27 U6 -","- H21 O27 U6 -","- H83.9999 O108 U24 -","4","1","","Burns, P. C.; Finch, R. J.; Hawthorne, F. C.; Miller, M. L.; Ewing, R. C.","The crystal structure of ianthinite, [U4+2(UO2)4O6(OH)4](H2O)5: a possible phase for Pu4+ incorporation during the oxidation of spent nuclear fuel","Journal of Nuclear Materials","1997","249","","199","206","10.1016/S0022-3115(97)00212-2","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:59",""
"9013072","7.455","","4.33","","9.825","","90","","110.68","","90","","296.718","","","","","","","","","","","","Synthetic","5","P 1 21/c 1","-P 2ybc","14","","","Pseudosinhalite","- Al3 B2 H Mg2 O10 -","- Al6 B4 H2 Mg4 O20 -","- Al6 B4 H2 Mg4 O20 -","","","","Daniels, P.; Krosse, S.; Werding, G.; Schreyer, W.","""Pseudosinhalite"", a new hydrous MgAl-borate: synthesis, phase characterization, crystal structure, and PT-stability Locality: synthetic","Contributions to Mineralogy and Petrology","1997","128","","261","271","10.1007/s004100050307","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:22",""
"9013458","12.3829","","12.3829","","12.3829","","90","","90","","90","","1898.75","","","","","","","","","","","","Synthetic","3","I a -3 d","-I 4bd 2c 3","230","Gadolinium gallium garnet","","Gadolinium gallium garnet","- Ga5 Gd3 O12 -","- Ga40 Gd24 O96 -","- Ga40 Gd24 O96 -","","","","Sawada, H.","Electron density of garnets Z3Ga5O12; Z=Nd, Sm, Gd, Tb","Journal of Solid State Chemistry","1997","132","","300","307","10.1006/jssc.1997.7462","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9014175","4.9577","","4.9577","","3.3879","","90","","90","","90","","83.27","","","","","","","","","","","","Synthetic","2","P 42/m n m","-P 4n 2n","136","","","Plattnerite","- O2 Pb -","- O4 Pb2 -","- O4 Pb2 -","","","","Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J.","Structural studies of rutile-type metal dioxides","Acta Crystallographica, Section B","1997","53","3","373","380","10.1107/S0108768197001468","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014331","5.593","","3.645","","22.45599","","90","","96.97","","90","","454.415","","","","","","","","","","","","Wessels mine, Kalahari manganese field, South Africa","3","I 1 2/m 1","-I 2y","12","","","Clinotobermorite","- Ca2.5 O9 Si3 -","- Ca5 O18 Si6 -","- Ca5 O18 Si6 -","","","","Hoffmann, C.; Armbruster, T.","Clinotobermorite, Ca5(Si3O8(OH))2*4(H2O) - Ca5(Si6O17)*5(H2O), a natural C-S-H(I) type cement mineral: determination of the substructure _cod_database_code 1000046","Zeitschrift fur Kristallographie","1997","212","","863","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014913","6.874","","6.874","","6.717","","90","","90","","120","","274.869","","","","","","","","","","","","Synthetic","4","P 31","P 31","144","","","Stillwellite-(La)","- B La O5 Si -","- B3 La3 O15 Si3 -","- B3 La3 O15 Si3 -","","","","Chi, L.; Chen, H.; Zhuang, H.; Huang, J.","Crystal structure of LaBSiO5","Journal of Alloys and Compounds","1997","252","","L12","L15","10.1016/S0925-8388(96)02625-4","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015048","13.515","","4.098","","26","","90","","93","","90","","1438.02","","","","","","","","","","","","Alyaskitovoye ore deposit, Yakutia","5","C 1 2/m 1","-C 2y","12","","","Borodaevite","- Ag4.5 Bi7.4 Pb0.6 S16 Sb1.5 -","- Ag9 Bi14.8 Pb1.2 S32 Sb3 -","- Ag9 Bi14.8 Pb1.2 S32 Sb3 -","","","","Ilinca, G.; Makovicky, E.","Note on the definition of borodayevite [Ag5(Fe,Pb)Bi7]13(Sb,Bi)2S17 Note: This structure is based on a theoretical construct, (11P), and is probably not an good model for borodayevite","Neues Jahrbuch fur Mineralogie, Monatshefte","1997","1997","","337","353","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015359","13.515","","4.098","","26","","90","","93","","90","","1438.02","","","","","","","","","","","","Alyaskitovoye ore deposit, Yakutia","5","C 1 2/m 1","-C 2y","12","","","Borodaevite","- Ag2.33 Bi3.67 Pb0.25 S8 Sb0.75 -","- Ag9.32 Bi14.68 Pb S32 Sb3 -","- Ag9.32 Bi14.68 Pb S32 Sb3 -","","","","Ilinca, G.; Makovicky, E.","Note on the definition of borodayevite [Ag5(Fe,Pb)Bi7]13(Sb,Bi)2S17 Note: This structure is based on a theoretical construct, (4,8L)","Neues Jahrbuch fur Mineralogie, Monatshefte","1997","1997","","337","353","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015584","15.207","","15.207","","10.114","","90","","90","","90","","2338.89","","","","","","","","","","","","Rocca Castellaccio, Val Malenco, Sondrio, Italy","4","I 41/a c d :2","-I 4bd 2c","142","","","Calzirtite","- Ca O8 Ti Zr2.5 -","- Ca16 O128 Ti16 Zr40 -","- Ca16 O128 Ti16 Zr40 -","","","","Callegari, A.; Mazzi, F.; Ungaretti, P.","The crystal structure of orthorhombic calzirtite from Val Malenco (Italy) Note: crystal n.2","Neues Jahrbuch fur Mineralogie, Monatshefte","1997","1997","","467","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015700","15.207","","15.207","","10.114","","90","","90","","90","","2338.89","","","","","","","","","","","","Rocca Castellaccio, Val Malenco, Sondrio, Italy","4","P b c a","-P 2ac 2ab","61","","","Calzirtite","- Ca2 O16 Ti2 Zr5 -","- Ca16 O128 Ti16 Zr40 -","- Ca16 O128 Ti16 Zr40 -","","","","Callegari, A.; Mazzi, F.; Ungaretti, P.","The crystal structure of orthorhombic calzirtite from Val Malenco (Italy) Note: crystal n.2","Neues Jahrbuch fur Mineralogie, Monatshefte","1997","1997","","467","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015787","9.993","","9.993","","9.993","","90","","90","","90","","997.901","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Florensovite","- Cr1.5 Cu S4 Sb0.5 -","- Cr12 Cu8 S32 Sb4 -","- Cr12 Cu8 S32 Sb4 -","","","","Warczewski, J.; Kusz, J.; Filimonov, D. S.; Kessler, Y. A.; Koroleva, L. I.; Mikheev, M. G.; Odintsov, A. G.; Aminov, T. G.; Busheva, E. V.; Shabunina, G. G.","New antiferromagnetic semiconductor CuCr1.5Sb0.5S4","Journal of Magnetism and Magnetic Materials","1997","175","","299","303","10.1016/S0304-8853(97)00161-3","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015968","6.8035","","6.8035","","6.6487","","90","","90","","120","","266.521","","","","","","","","","","","","Synthetic","4","P 31 2 1","P 31 2""","152","","","Stillwellite-(Nd)","- B Nd O5 Si -","- B3 Nd3 O15 Si3 -","- B3 Nd3 O15 Si3 -","","","","Shi, Y.; Liang, J. K.; Zhang, H.; Yang, J. L.; Zhuang, W. D.; Rao, G. H.","Crystal structure and vibrational spectra studies of stillwellite compounds NdBSiO5","Journal of Alloys and Compounds","1997","259","","163","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015977","7.1362","","9.9084","","12.9414","","90","","90","","90","","915.065","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- K2 O10 Si3 Ti -","- K8 O40 Si12 Ti4 -","- K8 O40 Si12 Ti4 -","","","","Dadachov, M.; Le Bail, A.","Structure of zeolitic K2TiSi3O9*(H2O) determined ab initio from powder diffraction data _cod_database_code 1000136","European Journal of Solid State and Inorganic Chemistry","1997","34","","381","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015989","5.299","","9.181","","14.05","","90.06","","90.3","","90","","683.524","","","","","","","","","","","","Postmasburg, South Africa","5","C 1","C 1","1","","","Amesite","- Al2 H4 Mg2 O9 Si -","- Al2 H4 Mg2 O9 Si -","- Al8 H16 Mg8 O36 Si4 -","4","","","Zheng, H.; Bailey, S. W.","Refinement of an amesite-2H1 polytype from Postmasburg, South Africa Note: polytype 2H1","Clays and Clay Minerals","1997","45","","301","310","10.1346/CCMN.1997.0450301","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9016492","4.4066","","4.4066","","2.8619","","90","","90","","90","","55.573","","","","","","","","","","","","Synthetic","2","P 42/m n m","-P 4n 2n","136","","","Argutite","- Ge O2 -","- Ge2 O4 -","- Ge2 O4 -","","","","Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J.","Structural studies of rutile-type metal dioxides","Acta Crystallographica, Section B","1997","53","3","373","380","10.1107/S0108768197001468","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016636","15.7395","","15.7395","","7.0656","","90","","90","","120","","1515.87","","","","","","","","","","","","Koralpe, Styria, Austria","9","R 3 m :H","R 3 -2""","160","","","Olenite","- Al8.262 B3.762 Ca0.3 F0.15 H5.7 Li0.738 Na0.42 O30.85 Si5.238 -","- Al8.262 B3.762 Ca0.3 F0.15 H5.7 Li0.738 Na0.42 O30.85 Si5.238 -","- Al24.786 B11.286 Ca0.9 F0.45 H17.1 Li2.214 Na1.26 O92.55 Si15.714 -","3","0.166667","","Ertl, A.; Pertlik, F.; Bernhardt, H. J.","Investigations on olenite with exess boron from Koralpe, Styria, Austria","Anzeiger der Osterreichische Akademie der Wissenschaften","1997","134","","3","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016768","5.0612","","5.0612","","22.82","","90","","90","","120","","506.236","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","Lukechangite-(Ce)","- C4 Ce2 F Na3 O12 -","- C8 Ce4 F2 Na6 O24 -","- C8 Ce4 F2 Na6 O24 -","","","","Grice, J. D.; Chao, G. Y.","Lukechangite-(Ce), a new rare-earth-fluorocarbonate mineral from Mont Saint-Hilaire, Quebec Note: U(1,2) for Na1, O1, O2 and F changed to match symmetry constraints. Note: U(2,3) for O2 changed to match symmetry constraints.","American Mineralogist","1997","82","","1255","1260","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:22:08",""
"9017399","11.981","","11.981","","11.981","","90","","90","","90","","1719.81","","","","","","","","","","","","Synthetic","4","I -4 3 d","I -4bd 2c 3","220","","","Fluormayenite","- Al7 Ca6 F O16 -","- Al28 Ca24 F3.99984 O64 -","- Al28 Ca24 F3.99984 O64 -","","","","Yu, Q.; Sugita, S.; Feng, X.; Mi, J.","On the preparation of single crystals of 11CaO*7Al2O3*CaF2 and the confirmation of its crystal structure","Cement and Concrete Research","1997","27","","1439","1449","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:59",""