# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-16T23:56:37+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 1995 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
"1000047","18.25099","0.004","8.814","0.001","5.181","0.001","90","","90","","90","","833.4","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Dimagnesium catena-disilicate","Enstatite","- Mg2 O6 Si2 -","- Mg2 O6 Si2 -","- Mg16 O48 Si16 -","8","1","","Yang, H X; Ghose, S","High temperature single crystal X-ray diffraction studies of the ortho- proto phase transition in enstatite, Mg2 Si2 O6 at 1360 K","Physics and Chemistry of Minerals (Germany)","1995","22","","300","310","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000122","9.532","0.001","7.901","0.001","11.398","0.001","90","","93.45","0.01","90","","856.9","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Barium catena-pentafluoroferrate(III) - α'","","- Ba F5 Fe -","- Ba F5 Fe -","- Ba8 F40 Fe8 -","8","2","","Le Bail, A.; Mercier, A. M.","Helical octahedral cis chains in α'-BaFeF~5~","European Journal of Solid State and Inorganic Chemistry","1995","32","","15","24","","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","200144","2020-10-21","18:00:00",""
"1000123","9.539","0.0003","9.539","0.0003","17.1411","0.0005","90","","90","","90","","1559.7","","","","","","","","","","","","","4","P 41 2 2","P 4w 2c","91","","Iron vanadium molybdenum oxide (4/1.98/3.02/20)","","- Fe4 Mo3.02 O20 V1.98 -","- Fe4 Mo3.02 O20 V1.98 -","- Fe16 Mo12.08 O80 V7.92 -","4","0.5","","Laligant, Y; Permer, L; Le Bail, A","Crystal structure of Fe4 V2 Mo3 O20 determined from conventional X-ray powder diffraction data","European Journal of Solid State Inorganic Chemistry","1995","32","","325","334","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000124","5.5703","0.0001","6.6741","0.0001","7.9032","0.0002","96.174","0.001","90.26","0.001","101.273","0.001","286.4","","","","","","","","","","","","","4","P -1","-P 1","2","","Iron(III) vanadium molybdenum oxide","","- Fe Mo O7 V -","- Fe Mo O7 V -","- Fe2 Mo2 O14 V2 -","2","1","","Le Bail, A; Permer, L; Laligant, Y","Structure of Fe V Mo O7","European Journal of Solid State Inorganic Chemistry","1995","32","","883","892","","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000128","7.771","0.003","11.578","0.001","11.852","0.004","90","","105.5","0.04","90","","1027.6","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraamminepalladium dichromate","","- Cr2 H12 N4 O7 Pd -","- Cr2 H12 N4 O7 Pd -","- Cr8 H48 N16 O28 Pd4 -","4","1","","Laligant, Y; Le Bail, A","Structure of (Pd (N H3)4) Cr2 O7","Powder Diffraction","1995","10","3","159","164","10.1017/S0885715600014640","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","200367","2020-10-21","18:00:00",""
"1000134","10.176","0.0001","10.176","0.0001","8.4121","0.0001","90","","90","","120","","754.4","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Barium pentoxomercuroruthenate(VI)","","- Ba Hg O5 Ru -","- Ba Hg O5 Ru -","- Ba6 Hg6 O30 Ru6 -","6","0.5","","Hansen, T; Le Bail, A; Laligant, Y","Synthesis and structure approach of barium-oxomercurato(II)- oxoruthenate(VI) Ba Hg Ru O5","Journal of Solid State Chemistry","1995","120","","223","230","10.1006/jssc.1995.1402","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000374","17.036","0.002","11.489","0.001","7.62","0.002","90","","101.48","0.01","90","","1461.6","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Barium iron fluoride hydroxide hydrate (7/6/26.7/5.3/2)","","- Ba7 F26.7 Fe6 H9.3 O7.3 -","- Ba7 F26.7008 Fe6 H11.6242 O7.2992 -","- Ba14 F53.4016 Fe12 H23.2484 O14.5984 -","2","0.25","","Crosnier-Lopez, M P; Calage, Y; Duroy, H; Fourquet, J L","Ba7 Fe6 F32 . 2(H2 O): original isolated trimers (Fe3 F16)(7-) in a new defective jarlite-type compound","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1025","1032","10.1002/zaac.19956210622","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000375","17.02299","0.001","11.482","0.001","7.624","0.001","90","","101.13","0.01","90","","1462.1","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Heptabarium bis(16-fluorotriferrate(III)) dihydrate","","- Ba7 F32 Fe6 H4 O2 -","- Ba7 F32 Fe6 H4 O2 -","- Ba14 F64 Fe12 H8 O4 -","2","0.25","","Crosnier-Lopez, M P; Calage, Y; Duroy, H; Fourquet, J L","Ba7 Fe6 F32 . 2(H2 O): original isolated trimers (Fe3 F16)(7-) in a new defective jarlite-type compound","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1025","1032","10.1002/zaac.19956210622","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1000376","20.118","0.003","5.597","0.001","9.44","0.002","89.75","0.02","105.79","0.02","89.38","0.02","1022.7","","","","","","","","","","","","","3","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","Octalead iron diiron(III) fluoride","","- F24 Fe3 Pb8 -","- F24 Fe3 Pb8 -","- F48 Fe6 Pb16 -","2","","","Pierrard, A; de Kozak, A; Gredin, P; Renaudin, J","The crystal structure of Pb8 Fe(II) Fe(III)2 F24: an ordered fluorite- like compound","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1053","1057","10.1002/zaac.19956210627","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000378","6.0956","0.0004","10.5645","0.0006","13.623","0.0008","90","","107.101","0.003","90","","838.5","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Copper indium hexathiodiphosphate(IV) (1/1/1)","","- Cu0.975 In P2 S6 -","- Cu0.975 In P2 S6 -","- Cu3.9 In4 P8 S24 -","4","1","","Maisonneuve, V; Evain, M; Payen, C; Cajipe, V B; Molinie, P","Room-temperature crystal structure of the layered phase Cu(I) In(III) P2 S6","Journal of Alloys Compd.","1995","218","","157","164","10.1016/0925-8388(94)01416-7","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000379","3.3255","0.0001","11.022","0.001","10.479","0.001","90","","90","","90","","384.1","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Calcium dithallate","","- Ca O4 Tl2 -","- Ca O4 Tl2 -","- Ca4 O16 Tl8 -","4","0.25","","Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B","Chemical twinning of the rock salt structure: Ca Tl2 O4 and Ca2 Tl2 O5, the first two members of the new series Can Tl2 On+3","Journal of Solid State Chemistry","1995","114","","428","434","10.1006/jssc.1995.1065","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000380","3.3431","0.0001","11.159","0.001","13.499","0.001","90","","90","","90","","503.6","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Calcium thallium oxide (1.9/2.1/5)","","- Ca1.88 O5 Tl2.12 -","- Ca1.88 O5 Tl2.12 -","- Ca7.52 O20 Tl8.48 -","4","0.25","","Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B","Chemical twinning of the rock salt structure: Ca Tl2 O4 and Ca2 Tl2O5, the first two members of the new series Can Tl2 On+3","Journal of Solid State Chemistry","1995","114","","428","434","10.1006/jssc.1995.1065","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000381","10.6829","0.0002","10.6829","0.0002","10.6829","0.0002","90","","90","","90","","1219.2","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium Thallium(III) niobium oxide (1.8/0.1/2/6.1)","","- Nb2 O6.07 Tl2 -","- Nb2 O6.07 Tl2 -","- Nb16 O48.56 Tl16 -","8","0.0416667","","Fourquet, J L; Duroy, H; Lacorre, P","Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution","Journal of Solid State Chemistry","1995","114","","575","584","10.1006/jssc.1995.1087","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000382","10.6418","0.0002","10.6418","0.0002","10.6418","0.0002","90","","90","","90","","1205.2","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium Thallium(III) niobium oxide (1.7/0.3/2/6.3)","","- Nb2 O6.271 Tl2 -","- Nb2 O6.271 Tl2 -","- Nb16 O50.168 Tl16 -","8","0.0416667","","Fourquet, J L; Duroy, H; Lacorre, P","Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution","Journal of Solid State Chemistry","1995","114","","575","584","10.1006/jssc.1995.1087","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000383","10.6399","0.0002","10.6399","0.0002","10.6399","0.0002","90","","90","","90","","1204.5","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium Thallium(III) niobium oxide (1.6/0.4/2/6.4)","","- Nb2 O6.43 Tl2 -","- Nb2 O6.43 Tl2 -","- Nb16 O51.44 Tl16 -","8","0.0416667","","Fourquet, J L; Duroy, H; Lacorre, P","Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution","Journal of Solid State Chemistry","1995","114","","575","584","10.1006/jssc.1995.1087","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000384","10.6397","0.0002","10.6397","0.0002","10.6397","0.0002","90","","90","","90","","1204.4","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium Thallium(III) niobium oxide (1.5/0.5/2/6.5)","","- Nb2 O6.49 Tl2 -","- Nb2 O6.49 Tl2 -","- Nb16 O51.92 Tl16 -","8","0.0416667","","Fourquet, J L; Duroy, H; Lacorre, P","Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution","Journal of Solid State Chemistry","1995","114","","575","584","10.1006/jssc.1995.1087","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000385","10.637","0.0002","10.637","0.0002","10.637","0.0002","90","","90","","90","","1203.5","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium Thallium(III) niobium oxide (1.4/0.6/2/6.6)","","- Nb2 O6.588 Tl2 -","- Nb2 O6.588 Tl2 -","- Nb16 O52.704 Tl16 -","8","0.0416667","","Fourquet, J L; Duroy, H; Lacorre, P","Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution","Journal of Solid State Chemistry","1995","114","","575","584","10.1006/jssc.1995.1087","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000386","10.6313","0.0002","10.6313","0.0002","10.6313","0.0002","90","","90","","90","","1201.6","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium Thallium(III) niobium oxide (1.4/0.6/2/6.6)","","- Nb2 O6.648 Tl2 -","- Nb2 O6.648 Tl2 -","- Nb16 O53.184 Tl16 -","8","0.0416667","","Fourquet, J L; Duroy, H; Lacorre, P","Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution","Journal of Solid State Chemistry","1995","114","","575","584","10.1006/jssc.1995.1087","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000387","10.622","0.0002","10.622","0.0002","10.622","0.0002","90","","90","","90","","1198.4","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium Thallium(III) niobium oxide (1/1/2/7)","","- Nb2 O7 Tl2 -","- Nb2 O7 Tl2 -","- Nb16 O56 Tl16 -","8","0.0416667","","Fourquet, J L; Duroy, H; Lacorre, P","Tl2 Nb2 O6+x (0<x<1): a continuous cubic pyrochlore type solid solution","Journal of Solid State Chemistry","1995","114","","575","584","10.1006/jssc.1995.1087","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000388","11.248","0.002","16.51299","0.002","3.3329","0.0003","90","","90","","90","","619","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Tricalcium dithallate","","- Ca2.8 O6 Tl2.2 -","- Ca2.8 O6 Tl2.2 -","- Ca11.2 O24 Tl8.8 -","4","0.5","","Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B","The calcium thallate Ca3 Tl2 O6, third member of the series Can Tl2 On+3","Journal of Solid State Chemistry","1995","115","","508","513","10.1006/jssc.1995.1166","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000389","7.7","0.002","5.801","0.002","8.939","0.002","90","","106.85","0.02","90","","382.1","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dibarium phyllo-heptafluorochlorodizincate","","- Ba2 Cl F7 Zn2 -","- Ba2 Cl F7 Zn2 -","- Ba4 Cl2 F14 Zn4 -","2","0.5","","Maguer, J - J; Courbion, G; Schriewer-Poettgen, M S; Fompeyrine, J; Darriet, J","Synthesis, structural study, and magnetic behavior of a new chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'= Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+))","Journal of Solid State Chemistry","1995","115","","98","111","10.1006/jssc.1995.1108","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000390","7.692","0.003","5.783","0.002","8.945","0.002","90","","106.88","0.02","90","","380.8","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dibarium phyllo-heptafluorochlorodicobaltate","","- Ba2 Cl Co2 F7 -","- Ba2 Cl Co2 F7 -","- Ba4 Cl2 Co4 F14 -","2","0.5","","Maguer, J - J; Courbion, G; Schriewer-Poettgen, M S; Fompeyrine, J; Darriet, J","Synthesis, structural study, and magnetic behavior of a new chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'= Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+))","Journal of Solid State Chemistry","1995","115","","98","111","10.1006/jssc.1995.1108","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000391","7.766","0.003","5.844","0.001","8.932","0.004","90","","106.64","0.01","90","","388.4","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dibarium phyllo-heptafluorochloromanganoniccolate","","- Ba2 Cl F7 Mn Ni -","- Ba2 Cl F7 Mn Ni -","- Ba4 Cl2 F14 Mn2 Ni2 -","2","0.5","","Maguer, J - J; Courbion, G; Schriewer-Poettgen, M S; Fompeyrine, J; Darriet, J","Synthesis, structural study, and magnetic behavior of a new chlorofluoride family: Ba2 M2 F7 Cl and Ba2 M M' F7 Cl (M,M'= Mn(2+),Fe(2+),Co(2+),Ni(2+),Zn(2+))","Journal of Solid State Chemistry","1995","115","","98","111","10.1006/jssc.1995.1108","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000392","4.77944","0.00004","4.77944","0.00004","18.21109","0.0002","90","","90","","90","","416","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Tetracalcium dithallium carbonate hexaoxide","","- C Ca4 O9 Tl2 -","- C Ca4 O9 Tl2 -","- C2 Ca8 O18 Tl4 -","2","0.0625","","Caignaert, V; Hervieu, M; Goutenoire, F; Raveau, B","New thallium oxycarbonates built up from rock salt layers: A4 Tl2 C O3 O6 (A=Ca,Sr,Ba)","Journal of Solid State Chemistry","1995","116","","321","328","10.1006/jssc.1995.1221","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000393","5.9422","0.0005","26.39499","0.003","5.959","0.0005","90","","90","","90","","934.6","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Tribarium tantalum oxide nonafluoride","","- Ba3 F9 O Ta -","- Ba3 F9 O Ta -","- Ba12 F36 O4 Ta4 -","4","0.25","","Crosnier-Lopez, M - P; Duroy, H; Fourquet, J - L; Laligant, Y","Synthesis and crystal structure of Ba3 Ta O F9","European Journal of Solid State Inorganic Chemistry","1995","92","","457","468","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000394","4.8866","0.0006","8.531","0.001","9.582","0.001","90","","90","","90","","399.5","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","Barium copper carbonate difluoride","","- C Ba Cu F2 O3 -","- C Ba Cu F2 O3 -","- C4 Ba4 Cu4 F8 O12 -","4","0.5","","Leblanc, M; Mercier, N; Attfield, J - P","Revision of the structure of Ba Cu (C O3) F2 by neutron diffraction","European Journal of Solid State Inorganic Chemistry","1995","32","","535","538","","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000395","7.006","0.002","11.181","0.003","21.86499","0.006","90","","90","","90","","1712.8","","","","","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","Potassium gadolinium carbonate difluoride","","- C F2 Gd K O3 -","- C F2 Gd K O3 -","- C16 F32 Gd16 K16 O48 -","16","0.5","","Mercier, N; Leblanc, M; Antic-Fidancev, E; Lemaitre-Blaise, M; Porcher, P","Structure and optical properties of K Gd (C O3) F2 : Eu(3+)","Journal of Alloys Compd.","1995","225","","198","202","10.1016/0925-8388(94)07093-8","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000396","9.1546","0.0002","9.1546","0.0002","9.1546","0.0002","90","","90","","90","","767.2","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Zirconium tungstate","","- O8 W2 Zr -","- O8 W2 Zr -","- O32 W8 Zr4 -","4","0.333333","","Auray, M; Quarton, M; Leblanc, M","Zirconium tungstate","Acta Crystallographica C (39,1983-)","1995","51","","2210","2213","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000397","10.731","0.001","10.731","0.001","12.803","0.002","90","","90","","120","","1276.8","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Barium copper fluoride chloride (5/4/17/1)","","- Ba5 Cl Cu4 F17 -","- Ba5 Cl Cu4 F17 -","- Ba15 Cl3 Cu12 F51 -","3","0.25","","Fompeyrine, J; Nazabal, V; Darriet, J; Courbion, G","Ba5 Cu4 F17 Cl: a new copper chlorofluoride with chains structure. Structural and magnetic properties","European Journal of Solid State Inorganic Chemistry","1995","32","","977","995","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000415","3.9236","0.0001","3.9236","0.0001","28.993","0.001","90","","90","","90","","446.3","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Mercury barium praseodymium copper oxide (1.5/2/1.3/2.2/8)","","- Ba2 Cu2.2 Hg1.5 O8 Pr1.3 -","- Ba2 Cu2.2 Hg1.5 O8 Pr1.3 -","- Ba4 Cu4.4 Hg3 O16 Pr2.6 -","2","0.0625","","Martin, C; Hervieu, M; Van Tendeloo, G; Goutenoire, F; Michel, C; Maignan, A; Raveau, B","A mercury based cuprate with the 2212 structure: Hg2-x (Cu, Pr)x Ba2 Pr Cu2 O8-d","Solid State Communications","1995","93","1","53","56","10.1016/0038-1098(94)00722-5","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000416","11.118","0.003","3.341","0.001","12.287","0.003","90","","102.88","0.02","90","","444.9","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Calcium thallium(III) oxide (3.1/3.9/9)","","- Ca3.06 O9 Tl3.94 -","- Ca3.06 O9 Tl3.94 -","- Ca6.12 O18 Tl7.88 -","2","0.25","","Goutenoire, F; Caignaert, V; Hervieu, M; Raveau, B","The calcium thallate Ca3 Tl4 O9, an intergrowth of the Ca Tl2 O4 and Ca2 Tl2 O5 structures, member n=1.5 of the series Can Tl2 On+3","Journal of Solid State Chemistry","1995","119","","134","141","10.1016/0022-4596(95)80020-P","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000425","6.473","0.002","7.853","0.005","10.718","0.003","90","","90","","90","","544.8","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Caesium pentafluorodipalladate","","- Cs F5 Pd2 -","- Cs F5 Pd2 -","- Cs4 F20 Pd8 -","4","0.25","","Ruchaud, N; Grannec, J; Tressaud, A; Ferey, G","Magnetic structure of Cs Pd2 F5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1958","1962","10.1002/zaac.19956211121","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001635","6.374","0.001","7.709","0.001","12.529","0.001","80.03","0.01","77.62","0.01","81.8","0.01","588.7","","","","","","","","","","","","","4","P -1","-P 1","2","","Lithium dimolybdo(V)molybdotriphosphate","","- Li Mo3 O16 P3 -","- Li Mo3 O16 P3 -","- Li2 Mo6 O32 P6 -","2","1","","Hoareau, T; Borel, M M; Leclaire, A; Provost, J; Raveau, B","Structure and antiferromagnetic properties of a mixed valent molybdeno monophosphate of lithium","Materials Research Bulletin","1995","30","4","523","529","10.1016/0025-5408(95)00023-2","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001636","3.8448","0.0001","3.8448","0.0001","16.31729","0.0007","90","","90","","90","","241.2","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Mercury molybdenum strontium copper carbonate oxide (0.5/0.5/4/2/1/6.21)","","- C Cu2 Hg0.52 Mo0.48 O9.21 Sr4 -","- C Cu2 Hg0.52 Mo0.48 O9.21 Sr4 -","- C Cu2 Hg0.52 Mo0.48 O9.21 Sr4 -","1","0.0625","","Pelloquin, D; Hervieu, M; Malo, S; Michel, C; Maignan, A; Raveau, B","Two transition-metal-substituted superconducting mercury-based oxycarbonates, Hg(1-x) Mx Sr4 Cu2 (C O3) O(6+d) (M=Cr and Mo)","Physica C (Amsterdam) (152,1988-)","1995","246","","1","10","10.1016/0921-4534(95)00131-X","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001637","3.8747","0.0001","3.8747","0.0001","16.15549","0.0006","90","","90","","90","","242.5","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Mercury chromium strontium copper carbonate oxide (0.46/0.54/4/2/1/6.88)","","- C Cr0.54 Cu2 Hg0.46 O9.88 Sr4 -","- C Cr0.54 Cu2 Hg0.46 O9.88 Sr4 -","- C Cr0.54 Cu2 Hg0.46 O9.88 Sr4 -","1","0.0625","","Pelloquin, D; Hervieu, M; Malo, S; Michel, C; Maignan, A; Raveau, B","Two transition-metal-substituted superconducting mercury-based oxycarbonates, Hg(1-x) Mx Sr4 Cu2 (C O3) O(6+d) (M=Cr and Mo)","Physica C (Amsterdam) (152,1988-)","1995","246","","1","10","10.1016/0921-4534(95)00131-X","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001639","3.9072","0.0001","3.9072","0.0001","17.21919","0.0006","90","","90","","90","","262.9","","","","","","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","Mercury barium praseodymium copper oxide (2/2/2/2/10)","","- Ba2 Cu2 Hg1.88 O10 Pr2 -","- Ba2 Cu2 Hg1.88 O10 Pr2 -","- Ba2 Cu2 Hg1.88 O10 Pr2 -","1","0.0625","","Huve, M; Martin, C; Maignan, A; Michel, C; Van Tendeloo, G; Hervieu, M; Raveau, B","A new cuprate with mercury bilayers: the ""2222"" oxide Hg2-x Mx Ba2 Pr2 Cu2 O10-d (M=Cu,Pr)","Journal of Solid State Chemistry","1995","114","","230","235","10.1006/jssc.1995.1033","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001640","3.8751","0.0001","3.8751","0.0001","7.679","0.0002","90","","90","","90","","115.3","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium copper iron(III) oxide","","- Ba Cu Fe O5 Y -","- Ba Cu Fe O5 Y -","- Ba Cu Fe O5 Y -","1","0.0625","","Caignaert, V; Mirebeau, I; Bouree, F; Nguyen, N; Ducouret, A; Greneche, J - M; Raveau, B","Crystal and magnetic structure of Y Ba Cu Fe O5","Journal of Solid State Chemistry","1995","114","","24","35","10.1006/jssc.1995.1004","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001641","16.989","0.003","16.989","0.003","11.866","0.003","90","","90","","120","","2966","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Nonacaesium tecto-trialumononamolybdo(V)undecaphosphate(V)","","- Al3 Cs9 Mo9 O59 P11 -","- Al3 Cs9 Mo9 O59 P11 -","- Al6 Cs18 Mo18 O118 P22 -","2","0.166667","","Guesdon, A; Borel, M M; Leclaire, A; Grandin, A; Raveau, B","An aluminophosphate of molybdenum(V) with a tunnel structure: Cs9 Mo9 Al3 P11 O59","Journal of Solid State Chemistry","1995","114","","451","458","10.1006/jssc.1995.1068","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001642","9.314","0.001","8.8679","0.0009","10.954","0.002","90","","90","","90","","904.8","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Dipotassium dimolybdenum tetraoxide diphosphate - $-beta","","- K2 Mo2 O11 P2 -","- K2 Mo2 O11 P2 -","- K8 Mo8 O44 P8 -","4","0.5","","Guesdon, A; Leclaire, A; Borel, M M; Grandin, A; Raveau, B","A molybdenum(V) diphosphate with a tunnel structure: $-beta-K2 Mo2 O4 P2 O7","Journal of Solid State Chemistry","1995","114","","481","485","10.1006/jssc.1995.1072","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001643","16.78899","0.001","8.5","0.001","16.36099","0.001","90","","126.34","0.01","90","","1880.7","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Trisodium tetramolybdo(V)pentaphosphate(V)","","- Mo4 Na3 O24 P5 -","- Mo4 Na3 O24 P5 -","- Mo16 Na12 O96 P20 -","4","0.5","","Leclaire, A; Hoareau, T; Borel, M M; Grandin, A; Raveau, B","A sodium Mo(V) monophosphate with a tunnel structure: Na3 (Mo O)4 (P O4)5","Journal of Solid State Chemistry","1995","114","","543","549","10.1006/jssc.1995.1083","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001644","9.676","0.002","14.366","0.002","28.39099","0.005","90","","90","","90","","3946.5","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tripotassium tetramolybdo(V)pentaphosphate(V)","","- K3 Mo4 O24 P5 -","- K3 Mo4 O24 P5 -","- K24 Mo32 O192 P40 -","8","1","","Hoareau, T; Leclaire, A; Borel, M M; Grandin, A; Raveau, B","A Mo(V) monophosphate with a tunnel structure: K3 (Mo O)4 (P O4)5","Journal of Solid State Chemistry","1995","114","","61","65","10.1006/jssc.1995.1009","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001645","3.8826","0.0001","3.8826","0.0001","35.26599","0.001","90","","90","","90","","531.6","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Trieuropium dibarium manganese(III) manganese(IV) dicopper oxide","","- Ba2 Cu2 Eu3 Mn2 O12 -","- Ba2 Cu2 Eu3 Mn2 O12 -","- Ba4 Cu4 Eu6 Mn4 O24 -","2","0.0625","","Hervieu, M; Michel, C; Genouel, R; Maignan, A; Raveau, B","The layered manganocuprate Eu3 Ba2 Mn2 Cu2 O12 : an intergrowth between the ""123"" and ""0201"" structures","Journal of Solid State Chemistry","1995","115","","1","6","10.1006/jssc.1995.1094","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001646","6.349","0.002","7.869","0.001","9.324","0.002","105.32","0.01","108.66","0.01","101.23","0.02","405.3","","","","","","","","","","","","","4","P -1","-P 1","2","","Trizinc tetravanadium(III) hexakis(phosphate(V))","","- O24 P6 V4 Zn3 -","- O24 P6 V4 Zn3 -","- O24 P6 V4 Zn3 -","1","0.5","","Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B","The original structure of Zn3 V4 (P O4)6 involving bioctahedral V2 O10 units and Zn O5 trigonal bipyramids","Journal of Solid State Chemistry","1995","115","","140","145","10.1006/jssc.1995.1112","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001647","10.7807","0.0004","10.7807","0.0004","3.8987","0.0003","90","","90","","90","","453.1","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Lanthanum strontium copper iron oxide (4.4/3.6/6/2/20)","","- Cu6 Fe2 La4.4 O20 Sr3.6 -","- Cu6 Fe2 La4.4 O20 Sr3.6 -","- Cu6 Fe2 La4.4 O20 Sr3.6 -","1","0.0625","","Genouel, R; Michel, C; Nguyen, N; Hervieu, M; Raveau, B","Ordered substitution of iron for copper in the tetragonal perovskite La6.4 Sr1.6 Cu8 O20","Journal of Solid State Chemistry","1995","115","","469","475","10.1006/jssc.1995.1161","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001648","3.8785","0.0002","3.8785","0.0002","7.5441","0.0004","90","","90","","90","","113.5","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Yttrium barium cobalt copper iron oxide (1/1/1/0.5/0.5/5)","","- Ba Co Cu0.5 Fe0.5 O5 Y -","- Ba Co Cu0.5 Fe0.5 O5 Y -","- Ba Co Cu0.5 Fe0.5 O5 Y -","1","0.0625","","Barbey, L; Nguyen, N; Ducouret, A; Caignaert, V; Greneche, J M; Raveau, B","Magnetic behaviour of the ""112"" type substituted cuprate Y Ba Co Cu1-x Fex O5","Journal of Solid State Chemistry","1995","115","","514","520","10.1006/jssc.1995.1167","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001649","11.546","0.001","8.548","0.001","8.779","0.001","90","","114.39","0.01","90","","789.1","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Silver divanadium(III) phosphate(V) diphosphate(V)","","- Ag O11 P3 V2 -","- Ag O11 P3 V2 -","- Ag4 O44 P12 V8 -","4","0.5","","Grandin, A; Leclaire, A; Borel, M M; Raveau, B","A V(III) phosphate built up from bioctahedral V2 O10 units: Ag V2 (P O4) P2 O7","Journal of Solid State Chemistry","1995","115","","521","524","10.1006/jssc.1995.1168","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001650","3.8642","0.0001","3.8642","0.0001","29.56799","0.001","90","","90","","90","","441.5","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Mercury thallium(III) strontium praseodymium copper oxide (0.3/0.7/2/2/2/9)","","- Cu2 Hg0.3 O9 Pr2 Sr2 Tl0.7 -","- Cu2 Hg0.3 O9 Pr2 Sr2 Tl0.7 -","- Cu4 Hg0.6 O18 Pr4 Sr4 Tl1.4 -","2","0.0625","","Hervieu, M; Van Tendeloo, G; Michel, C; Martin, C; Maignan, A; Raveau, B","Synthesis and characterization of mercury-based ""1222"" cuprates (Hg1-x Mx) (Sr,Ba)2 Pr2 Cu2 O9-d","Journal of Solid State Chemistry","1995","115","","525","531","10.1006/jssc.1995.1169","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001651","7.747","0.001","11.149","0.001","7.611","0.001","90","","90","","90","","657.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Trilanthanum catena-pentaoxoniobate dioxide","","- La3 Nb O7 -","- La3 Nb O7 -","- La12 Nb4 O28 -","4","0.5","","Kahn-Harari, A; Mazerolles, L; Michel, D; Robert, F","Structural description of La3 Nb O7","Journal of Solid State Chemistry","1995","116","","103","106","10.1006/jssc.1995.1189","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001652","3.7352","0.0002","7.5749","0.0003","17.9657","0.0007","90","","90","","90","","508.3","","","","","","","","","","","","","6","A m m m","-A 2 2","65","","Mercury cerium strontium lanthanum copper oxide (0.4/0.5/1.4/1.6/1.1/5)","","- Ce0.5 Cu1.1 Hg0.4 La0.6 O5 Sr1.4 -","- Ce0.5 Cu1.1 Hg0.4 La0.6 O5 Sr1.4 -","- Ce2 Cu4.4 Hg1.6 La2.4 O20 Sr5.6 -","4","0.25","","Maignan, A; Martin, C; Michel, C; Hervieu, M; Raveau, B","A new ""1201"" mercury-based cuprate with Hg Ce mixed layers: the oxide Hg0.4 Ce0.5 Cu0.1 Sr2-x Lax Cu O4+d","Journal of Solid State Chemistry","1995","116","","347","354","10.1006/jssc.1995.1225","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001653","8.211","0.001","5.2757","0.0006","7.816","0.002","90","","94.778","0.001","90","","337.4","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Barium phyllo-bis(phosphato)molybdate","","- Ba Mo O8 P2 -","- Ba Mo O8 P2 -","- Ba2 Mo2 O16 P4 -","2","0.25","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","A Mo(IV) monophosphate, Ba Mo (P O4)2, with the yavapaiite layer structure","Journal of Solid State Chemistry","1995","116","","364","368","10.1006/jssc.1995.1227","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001654","7.6799","0.0005","11.5549","0.0007","8.8795","0.0004","90","","90","","90","","788","","","","","","","","","","","","","6","P m a m","-P 2 2a","51","","Mercury bismuth(V) heptastrontium dicopper antimony(V) oxide","","- Bi Cu2 Hg O15 Sb Sr7 -","- Bi Cu2 Hg O15 Sb Sr7 -","- Bi2 Cu4 Hg2 O30 Sb2 Sr14 -","2","0.25","","Pelloquin, D; Hervieu, M; Michel, C; Caldes, M; Raveau, B","Double cationic ordering in the ""1201"" substituted type cuprate Hg Bi Sr7 Cu2 Sb O15","Journal of Solid State Chemistry","1995","116","","53","60","10.1006/jssc.1995.1181","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001655","10.047","0.002","8.655","0.001","11.597","0.002","90","","104.27","0.01","90","","977.3","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Caesium phyllo-bis(phosphato)trioxodimolybdate","","- Cs Mo2 O11 P2 -","- Cs Mo2 O11 P2 -","- Cs4 Mo8 O44 P8 -","4","1","","Hoareau, T; Leclaire, A; Borel, M M; Grandin, A; Raveau, B","A mixed valent molybdenum monophosphate with a layer structure: Cs Mo2 O3 (P O4)2","Journal of Solid State Chemistry","1995","116","","87","91","10.1006/jssc.1995.1186","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001656","14.192","0.001","6.424","0.001","7.317","0.001","90","","90","","90","","667.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Calcium divanadium(III) oxide diphosphate","","- Ca O9 P2 V2 -","- Ca O9 P2 V2 -","- Ca4 O36 P8 V8 -","4","0.5","","Boudin, S; Grandin, A; Leclaire, A; Borel, M - M; Raveau, B","Ca V2 O (P O4)2, isotypic with the Cd phase","Acta Crystallographica C (39,1983-)","1995","51","","796","798","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001657","3.8271","0.0007","3.8271","0.0007","12.385","0.003","90","","90","","90","","181.4","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium(III) barium strontium calcium copper oxide (1.2/1/0.96/0.8/2/7)","","- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -","- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -","- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -","1","0.0625","","Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B","Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d","Acta Crystallographica B (39,1983-)","1995","51","","18","22","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001658","3.8356","0.0007","3.8356","0.0007","12.39","0.003","90","","90","","90","","182.3","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium(III) barium strontium calcium copper oxide (1.2/1/0.96/0.8/2/7)","","- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -","- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -","- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -","1","0.0625","","Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B","Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d","Acta Crystallographica B (39,1983-)","1995","51","","18","22","","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001659","3.8234","0.0009","3.8234","0.0009","12.384","0.004","90","","90","","90","","181","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium(III) barium strontium calcium copper oxide (1.2/1/0.96/0.8/2/7)","","- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -","- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -","- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -","1","0.0625","","Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B","Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d","Acta Crystallographica B (39,1983-)","1995","51","","18","22","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001660","8.0058","0.0004","8.0058","0.0004","8.0058","0.0004","90","","90","","90","","513.1","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Dilead magnesium tungstate - I","","- Mg O6 Pb2 W -","- Mg O6 Pb1.9992 W -","- Mg4 O24 Pb7.9968 W4 -","4","0.0208333","","Baldinozzi, G.; Sciau, Ph.; Pinot, M.; Grebille, D.","Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6","Acta Crystallographica B (39,1983-)","1995","51","5","668","673","10.1107/S0108768194014047","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","188422","2020-10-21","18:00:00",""
"1001661","7.944","0.0004","5.6866","0.0003","11.4059","0.0004","90","","90","","90","","515.3","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Dilead magnesium tungstate - II","","- Mg O6 Pb2 W -","- Mg O6 Pb2 W -","- Mg4 O24 Pb8 W4 -","4","0.5","","Baldinozzi, G; Sciau, Ph; Pinot, M; Grebille, D","Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6","Acta Crystallographica B (39,1983-)","1995","51","","668","673","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001662","7.9041","0.0003","5.7035","0.0002","11.4442","0.0004","90","","90","","90","","515.9","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Dilead magnesium tungstate - II","","- Mg O6 Pb2 W -","- Mg O6 Pb2 W -","- Mg4 O24 Pb8 W4 -","4","0.5","","Baldinozzi, G; Sciau, Ph; Pinot, M; Grebille, D","Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6","Acta Crystallographica B (39,1983-)","1995","51","","668","673","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001663","5.596","0.001","10.29","0.02","3.806","0.001","90","","90","","90","","219.2","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Neodymium copper oxide (1/1/2.5)","","- Cu Nd O2.5 -","- Cu Nd O2.5 -","- Cu4 Nd4 O10 -","4","0.5","","Chen, B - H; Walker, D; Suard, E; Scott, B A; Mercey, B; Hervieu, M; Raveau, B","High pressure synthesis of Nd Cu O3-d perovskites (0<d<0.5)","Inorganic Chemistry","1995","34","","2077","2083","10.1021/ic00112a020","","","","","","0.093","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001664","8.56","0.002","8.534","0.002","3.777","0.001","90","","90","","90.45","0.05","275.9","","","","","","","","","","","","","3","P 1 1 2/m","-P 2","10","","Neodymium copper oxide (1/1/2.6)","","- Cu Nd O2.6 -","- Cu Nd O2.6 -","- Cu5 Nd5 O13 -","5","1.25","","Chen, B - H; Walker, D; Suard, E; Scott, B A; Mercey, B; Hervieu, M; Raveau, B","High pressure synthesis of Nd Cu O3-d perovskites (0<d<0.5)","Inorganic Chemistry","1995","34","","2077","2083","10.1021/ic00112a020","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001665","5.334","0.001","6.308","0.001","7.196","0.002","90","","90","","90","","242.1","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Neodymium copper oxide (1/1/2.9)","","- Cu Nd O2.93 -","- Cu Nd O2.931 -","- Cu4 Nd4 O11.724 -","4","0.5","","Chen, B - H; Walker, D; Suard, E; Scott, B A; Mercey, B; Hervieu, M; Raveau, B","High pressure synthesis of Nd Cu O3-d perovskites (0<d<0.5)","Inorganic Chemistry","1995","34","","2077","2083","10.1021/ic00112a020","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001666","3.7966","0.0003","3.7966","0.0003","12.092","0.001","90","","90","","90","","174.3","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium strontium calcium copper oxide (1.2/2/0.8/2/7)","","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","1","0.0625","","Martin, C; Maignan, A; Labbe, Ph; Chardon, J; Hejtmanek, J; Raveau, B","Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d","Chemistry of Materials (1,1989-","1995","7","","1414","1418","10.1021/cm00055a021","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001667","3.7808","0.0005","3.7808","0.0005","12.0855","0.0012","90","","90","","90","","172.8","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium strontium calcium copper oxide (1.2/2/0.8/2/7)","","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","1","0.0625","","Martin, C; Maignan, A; Labbe, Ph; Chardon, J; Hejtmanek, J; Raveau, B","Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d","Chemistry of Materials (1,1989-","1995","7","","1414","1418","10.1021/cm00055a021","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001692","3.8505","0.0001","3.8505","0.0001","16.23999","0.001","90","","90","","90","","240.8","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Mercury vanadium strontium copper carbonate oxide (0.6/0.4/4/2/1/6.6)","","- C Cu2 Hg0.57 O9.6 Sr4 V0.43 -","- C Cu2 Hg0.57 O9.6 Sr4 V0.43 -","- C Cu2 Hg0.57 O9.6 Sr4 V0.43 -","1","0.0625","","Maignan, A; Pelloquin, D; Malo, S; Michel, C; Hervieu, M; Raveau, B","Stabilisation of three new oxycarbonates by V and Cr substitutions. The superconductors (Tl, M)1 Sr4 Cu2 (C O3) O7 (M= Cr, V) and (Hg, V)1 Sr4 Cu2 (C O3) O6+z","Physica C (Amsterdam) (152,1988-)","1995","249","","220","233","10.1016/0921-4534(95)00322-3","","","","","","0.104","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001693","5.414","0.002","5.414","0.002","18.52399","0.001","90","","90","","90","","543","","","","","","","","","","","","","5","C m 2 a","C -2a -2a","39","","Bismuth strontium calcium iron oxide (1.8/3.8/0.2/2/10)","","- Bi1.77 Ca0.2 Fe2 O10 Sr3.8 -","- Bi1.77 Ca0.2 Fe2 O10 Sr3.8 -","- Bi3.54 Ca0.4 Fe4 O20 Sr7.6 -","2","","","Hervieu, M; Pelloquin, D; Michel, C; Caldes, M T; Raveau, B","The ferrites Bi(n+1) Sr2(n+2) Ba(n-1) Fe(n+1) O6(n+4): a series of intergrowths of the 2201 and 0201 structures","Journal of Solid State Chemistry","1995","118","","227","240","10.1006/jssc.1995.1338","","","","","","0.096","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001694","3.837","0.001","3.837","0.001","61.15999","0.01","90","","90","","90","","900.4","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Bismuth barium strontium iron oxide (3/1/6/3/16)","","- Ba Bi3 Fe3 O16 Sr6 -","- Ba Bi3 Fe3 O16 Sr6 -","- Ba2 Bi6 Fe6 O32 Sr12 -","2","0.0625","","Hervieu, M; Pelloquin, D; Michel, C; Caldes, M T; Raveau, B","The ferrites Bi(n+1) Sr2(n+2) Ba(n-1) Fe(n+1) O6(n+4): a series of intergrowths of the 2201 and 0201 structures","Journal of Solid State Chemistry","1995","118","","227","240","10.1006/jssc.1995.1338","","","","","","0.111","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001695","21.381","0.001","21.381","0.001","21.381","0.001","90","","90","","90","","9774.3","","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","Hexapotassium 40-oxotrimolybdononatungstophosphate 13-hydrate","","- H26 K6 Mo3 O53 P W9 -","- H18.5415 K6 Mo3 O49.0834 P W9 -","- H148.332 K48 Mo24 O392.667 P8 W72 -","8","0.0416667","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","A mixed valent Keggin polyoxometallate involving molybdenum and tungsten","Materials Research Bulletin","1995","30","9","1075","1080","10.1016/0025-5408(95)00103-4","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001701","10.748","0.0003","10.748","0.0003","3.8976","0.0002","90","","90","","90","","450.2","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Lanthanum strontium copper iron oxide (4.4/3.6/6/2/20)","","- Cu6 Fe2 La4.4 O20 Sr3.6 -","- Cu6 Fe2 La4.4 O20 Sr3.6 -","- Cu6 Fe2 La4.4 O20 Sr3.6 -","1","0.0625","","Genouel, R; Michel, C; Raveau, B","Powder neutron diffraction study of the ordered oxygen-deficient perovskites (La, Sr)8 Cu8-x Fex O20","Chemistry of Materials (1,1989-","1995","7","","2181","2184","10.1021/cm00059a028","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001702","10.787","0.0003","10.787","0.0003","3.8915","0.0001","90","","90","","90","","452.8","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Lanthanum strontium copper iron oxide (5.2/2.8/6.8/1.2/20)","","- Cu6.8 Fe1.2 La5.2 O20 Sr2.8 -","- Cu6.8 Fe1.2 La5.2 O20 Sr2.8 -","- Cu6.8 Fe1.2 La5.2 O20 Sr2.8 -","1","0.0625","","Genouel, R; Michel, C; Raveau, B","Powder neutron diffraction study of the ordered oxygen-deficient perovskites (La, Sr)8 Cu8-x Fex O20","Chemistry of Materials (1,1989-","1995","7","","2181","2184","10.1021/cm00059a028","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001703","10.8088","0.0005","10.8088","0.0005","3.8992","0.0002","90","","90","","90","","455.5","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Lanthanum strontium copper iron oxide (6.4/1.6/6.8/1.2/20)","","- Cu6.8 Fe1.2 La6.4 O20 Sr1.6 -","- Cu6.8 Fe1.2 La6.4 O20 Sr1.6 -","- Cu6.8 Fe1.2 La6.4 O20 Sr1.6 -","1","0.0625","","Genouel, R; Michel, C; Raveau, B","Powder neutron diffraction study of the ordered oxygen-deficient perovskites (La, Sr)8 Cu8-x Fex O20","Chemistry of Materials (1,1989-","1995","7","","2181","2184","10.1021/cm00059a028","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001704","5.4364","0.0003","5.4462","0.0003","7.6755","0.0004","90","","90","","90","","227.3","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","Praseodymium calcium strontium manganese oxide (0.7/0.2/0.1/1/3)","","- Ca0.2 Mn O3 Pr0.7 Sr0.1 -","- Ca0.2 Mn O3 Pr0.7 Sr0.1 -","- Ca0.8 Mn4 O12 Pr2.8 Sr0.4 -","4","0.5","","Caignaert, V; Suard, E; Maignan, A; Simon, C; Raveau, B","Variation of the Jahn Teller distortion of Mn at the ferromagnetic transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)","1995","321","","515","520","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001705","5.4363","0.0003","5.4462","0.0003","7.6768","0.0004","90","","90","","90","","227.3","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","Praseodymium calcium strontium manganese oxide (0.7/0.2/0.1/1/3)","","- Ca0.2 Mn O3 Pr0.7 Sr0.1 -","- Ca0.2 Mn O3 Pr0.7 Sr0.1 -","- Ca0.8 Mn4 O12 Pr2.8 Sr0.4 -","4","0.5","","Caignaert, V; Suard, E; Maignan, A; Simon, C; Raveau, B","Variation of the Jahn Teller distortion of Mn at the ferromagnetic transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)","1995","321","","515","520","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001706","5.4369","0.0003","5.4467","0.0003","7.6799","0.0004","90","","90","","90","","227.4","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","Praseodymium calcium strontium manganese oxide (0.7/0.2/0.1/1/3)","","- Ca0.2 Mn O3 Pr0.7 Sr0.1 -","- Ca0.2 Mn O3 Pr0.7 Sr0.1 -","- Ca0.8 Mn4 O12 Pr2.8 Sr0.4 -","4","0.5","","Caignaert, V; Suard, E; Maignan, A; Simon, C; Raveau, B","Variation of the Jahn Teller distortion of Mn at the ferromagnetic transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)","1995","321","","515","520","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001707","5.439","0.0004","5.4521","0.0004","7.6839","0.0005","90","","90","","90","","227.9","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","Praseodymium calcium strontium manganese oxide (0.7/0.2/0.1/1/3)","","- Ca0.2 Mn O3 Pr0.7 Sr0.1 -","- Ca0.2 Mn O3 Pr0.7 Sr0.1 -","- Ca0.8 Mn4 O12 Pr2.8 Sr0.4 -","4","0.5","","Caignaert, V; Suard, E; Maignan, A; Simon, C; Raveau, B","Variation of the Jahn Teller distortion of Mn at the ferromagnetic transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)","1995","321","","515","520","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001708","5.4356","0.0003","5.4549","0.0003","7.6936","0.0005","90","","90","","90","","228.1","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","Praseodymium calcium strontium manganese oxide (0.7/0.2/0.1/1/3)","","- Ca0.2 Mn O3 Pr0.7 Sr0.1 -","- Ca0.2 Mn O3 Pr0.7 Sr0.1 -","- Ca0.8 Mn4 O12 Pr2.8 Sr0.4 -","4","0.5","","Caignaert, V; Suard, E; Maignan, A; Simon, C; Raveau, B","Variation of the Jahn Teller distortion of Mn at the ferromagnetic transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Ser. II (1994-)","1995","321","","515","520","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001709","5.488","0.001","5.475","0.001","31.50899","0.005","90","","90","","90","","946.7","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Bismuth strontium iron oxide (2/2.6/2/11)","","- Bi2 Fe2 O11 Sr2.591 -","- Bi2 Fe2 O11 Sr2.591 -","- Bi8 Fe8 O44 Sr10.364 -","4","0.125","","Perez, O; Leligny, H; Grebille, D; Labbe, Ph; Groult, D; Raveau, B","X-ray investigation of the incommensurate modulated structure of Bi2+x Sr3-x Fe2 O9+d","Journal of Physics: Condensed Matter","1995","7","","10003","10014","10.1088/0953-8984/7/50/030","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001710","5.4604","0.0003","5.5227","0.0003","12.2112","0.0006","90","","90","","90","","368.2","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","Dilead distrontium copper(I) iron(III) oxide","","- Cu Fe O6 Pb2 Sr2 -","- Cu Fe O6 Pb2 Sr2 -","- Cu2 Fe2 O12 Pb4 Sr4 -","2","0.125","","Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B","An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6","Journal of Materials Chemistry","1995","5","8","1163","1170","10.1039/jm9950501163","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001711","5.4606","0.0003","5.5228","0.0003","12.2112","0.0006","90","","90","","90","","368.3","","","","","","","","","","","","","5","P 2 a n","P -2ab 2","30","","Dilead distrontium copper(I) iron(III) oxide","","- Cu Fe O6 Pb2 Sr2 -","- Cu Fe O6 Pb2 Sr2 -","- Cu2 Fe2 O12 Pb4 Sr4 -","2","0.5","","Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B","An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6","Journal of Materials Chemistry","1995","5","8","1163","1170","10.1039/jm9950501163","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001712","5.4604","0.0003","5.5227","0.0003","12.211","0.0006","90","","90","","90","","368.2","","","","","","","","","","","","","5","P 21 a m","P -2 2a","26","","Dilead distrontium copper(I) iron(III) oxide","","- Cu Fe O6 Pb2 Sr2 -","- Cu Fe O6 Pb2 Sr2 -","- Cu2 Fe2 O12 Pb4 Sr4 -","2","0.5","","Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B","An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6","Journal of Materials Chemistry","1995","5","8","1163","1170","10.1039/jm9950501163","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001713","16.04599","0.004","11.951","0.002","9.937","0.002","90","","104.62","0.02","90","","1843.9","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Lithium tecto-molybdo(V)diphosphate(V)","","- Li Mo O8 P2 -","- Li Mo O8 P2 -","- Li12 Mo12 O96 P24 -","12","3","","Ledain, S; Borel, M M; Leclaire, A; Provost, J; Raveau, B","A molybdenum V diphosphate involving Li O4 tetrahedra: Li Mo O P2 O7","Journal of Solid State Chemistry","1995","120","","260","267","10.1006/jssc.1995.1407","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001714","8.7949","0.0002","8.7949","0.0002","3.7848","0.0001","90","","90","","90","","292.8","","","","","","","","","","","","","4","P 4/m","-P 4","83","","Pentastrontium tetramanganese(III) carbonate decaoxide","","- C Mn4 O13 Sr5 -","- C Mn4 O13 Sr5 -","- C Mn4 O13 Sr5 -","1","0.125","","Caignaert, V; Domenges, B; Raveau, B","Synthesis and structure of a new oxycarbonate, Sr5 Mn4 C O3 O10, closely related to the perovskite structure","Journal of Solid State Chemistry","1995","120","","279","289","10.1006/jssc.1995.1410","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001715","7.2","0.001","6.369","0.001","9.123","0.001","90","","106.29","0.01","90","","401.6","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Sodium molybdenum tungsten oxide phosphate (0.75/1.17/0.83/3/2)","","- Mo1.17 Na0.75 O11 P2 W0.83 -","- Mo1.17 Na0.75 O11 P2 W0.83 -","- Mo2.34 Na1.5 O22 P4 W1.66 -","2","0.5","","Leclaire, A; Borel, M M; Chardon, J; Raveau, B","A mixed-valent molybdenotungsten monophosphate with a tunnel structure : Nax (Mo, W)2 O3 (P O4)2","Journal of Solid State Chemistry","1995","120","","353","357","10.1006/jssc.1995.1419","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001716","3.7511","0.0001","3.7511","0.0001","8.939","0.001","90","","90","","90","","125.8","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium molybdenum strontium copper oxide (0.8/0.2/2/1/5)","","- Cu Mo0.2 O5 Sr2 Tl0.8 -","- Cu Mo0.2 O5 Sr2 Tl0.8 -","- Cu Mo0.2 O5 Sr2 Tl0.8 -","1","0.0625","","Letouze, F; Martin, C; Maignan, A; Michel, C; Hervieu, M; Raveau, B","Stabilization of new superconducting thallium cuprates and oxycarbonates by molybdenum","Physica C (Amsterdam) (152,1988-)","1995","254","","33","43","10.1016/0921-4534(95)00561-7","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001717","3.8251","0.0002","3.8251","0.0002","16.42899","0.001","90","","90","","90","","240.4","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium molybdenum strontium copper carbonate oxide (0.8/0.2/4/2/1/7)","","- C Cu2 Mo0.2 O10 Sr4 Tl0.8 -","- C Cu2 Mo0.2 O10 Sr4 Tl0.8 -","- C Cu2 Mo0.2 O10 Sr4 Tl0.8 -","1","0.0625","","Letouze, F; Martin, C; Maignan, A; Michel, C; Hervieu, M; Raveau, B","Stabilization of new superconducting thallium cuprates and oxycarbonates by molybdenum","Physica C (Amsterdam) (152,1988-)","1995","254","","33","43","10.1016/0921-4534(95)00561-7","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001863","16.952","0.002","16.952","0.002","11.833","0.001","90","","90","","120","","2944.9","","","","","","","","","","","","","6","P 63/m","-P 6c","176","","Dipotassium heptacaesium tecto-nonamolybdo(V)trialumoundecaphosphate(V)","","- Al3 Cs7 K2 Mo9 O59 P11 -","- Al3 Cs7.002 K1.998 Mo9 O59 P11 -","- Al6 Cs14.004 K3.996 Mo18 O118 P22 -","2","0.166667","","Guesdon, A; Leclaire, A; Borel, M M; Raveau, B","Significant structural disorganization in alkaline molybdenum(V) aluminophosphates","Chemistry of Materials (1,1989-","1995","7","","1873","1878","10.1021/cm00058a018","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004107","5.6492","0.0001","13.1841","0.0002","7.2844","0.0001","90","","119.745","0.001","90","","471.1","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dioxouranium(VI) divanadate","","- O11 U2 V2 -","- O11 U2 V2 -","- O22 U4 V4 -","2","0.5","","Tancret, N; Obbade, S; Abraham, F","Ab initio structure determination of uranyl divanadate (U O2)2 V2 O7 from powder X-ray diffraction data","European Journal of Solid State Inorganic Chemistry","1995","32","","195","207","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004108","7.1664","0.0008","11.206","0.001","5.1732","0.0006","90","","107.28","0.01","90","","396.7","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bismuth tecto-pentaoxoniccolophosphate(V)","","- Bi Ni O5 P -","- Bi Ni O5 P -","- Bi4 Ni4 O20 P4 -","4","1","","Abraham, F; Ketatni, M","Crystal structure of a new bismuth nickel oxophosphate: Bi Ni O P O4","European Journal of Solid State Inorganic Chemistry","1995","32","","429","437","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004112","8.823","0.003","13.494","0.003","5.108","0.002","90","","92.77","0.03","90","","607.4","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Disodium copper diphosphate - $-alpha","","- Cu Na2 O7 P2 -","- Cu Na2 O7 P2 -","- Cu4 Na8 O28 P8 -","4","1","","Erragh, F; Boukhari, A; Abraham, F; Elouadi, B","The crystal structure of $-alpha- and $-beta- Na2 Cu P2 O7","Journal of Solid State Chemistry","1995","120","","23","31","10.1006/jssc.1995.1370","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004113","14.728","0.003","5.698","0.001","8.067","0.001","90","","115.15","0.01","90","","612.8","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Disodium copper diphosphate - $-beta","","- Cu Na2 O7 P2 -","- Cu Na2 O7 P2 -","- Cu4 Na8 O28 P8 -","4","0.5","","Erragh, F; Boukhari, A; Abraham, F; Elouadi, B","The crystal structure of $-alpha- and $-beta- Na2 Cu P2 O7","Journal of Solid State Chemistry","1995","120","","23","31","10.1006/jssc.1995.1370","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004127","6.5534","0.0005","6.5534","0.0005","6.174","0.0007","90","","90","","120","","229.6","","","","","","","","","","","","","4","P 3","P 3","143","","Tetraaqualithium tetrahydroxoborate dihydrate","","- B H16 Li O10 -","- B H32 Li O10 -","- B H32 Li O10 -","1","0.333333","","Touboul, M; Betourne, E; Nowogrocki, G","Crystal structure and dehydration process of Li (H2 O)4 B (O H)4 . 2(H2 O)","Journal of Solid State Chemistry","1995","115","","549","553","10.1006/jssc.1995.1172","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1005017","13.481","0.002","4.459","0.001","10.05","0.001","90","","90","","90","","604.1","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Cerium palladium antimonide (3/6/5)","","- Ce3 Pd6 Sb5 -","- Ce3 Pd6 Sb5 -","- Ce6 Pd12 Sb10 -","2","0.25","","Gordon, R A; DiSalvo, F J; Poettgen, R","Crystal structure and physical properties of Ce3 Pd6 Sb5","Journal of Alloys Compd.","1995","228","","16","22","10.1016/0925-8388(95)01689-9","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1005019","3.8568","0.0002","3.8568","0.0002","12.935","0.001","90","","90","","90","","192.4","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Strontium dinitridozincate","","- N2 Sr2 Zn -","- N2 Sr2 Zn -","- N4 Sr4 Zn2 -","2","0.0625","","Yamane, H; DiSalvo, F J","Synthesis and crystal structure of Sr2 Zn N2 and Ba2 Zn N2","Journal of Solid State Chemistry","1995","119","","375","379","10.1016/0022-4596(95)80055-T","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005020","4.152","0.001","4.152","0.001","13.055","0.003","90","","90","","90","","225.1","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Barium dinitridozincate","","- Ba2 N2 Zn -","- Ba2 N2 Zn -","- Ba4 N4 Zn2 -","2","0.0625","","Yamane, H; DiSalvo, F J","Synthesis and crystal structure of Sr2 Zn N2 and Ba2 Zn N2","Journal of Solid State Chemistry","1995","119","","375","379","10.1016/0022-4596(95)80055-T","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006077","5.39","0.001","5.39","0.001","8.503","0.001","90","","90","","120","","213.9","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Lanthanum nickel cobalt deuteride (1/4/1/6.1)","","- Co D6.12 La Ni4 -","- Co D6.1197 La Ni4 -","- Co2 D12.2394 La2 Ni8 -","2","0.166667","","Latroche, M; Rodriguez-Carvajal, J; Percheron-Guegan, A; Bouree-Vigneron, F","Structural studies of La Ni4 Co D6.11 and La Ni3.55 Mn0.4 Al0.3 Co0.75 D5.57 by means of neutron powder diffraction","Journal of Alloys Compd.","1995","218","","64","72","10.1016/0925-8388(94)01366-7","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006078","5.383","0.001","5.383","0.001","4.277","0.001","90","","90","","120","","107.3","","","","","","","","","","","","","6","P 6/m m m","-P 6 2","191","","Lanthanum nickel manganese aluminium cobalt deuteride (1/3.6/0.4/0.3/0.8/5.6)","","- Al0.3 Co0.749 D5.56 La Mn0.4 Ni3.548 -","- Al0.3 Co0.749 D5.5554 La Mn0.4 Ni3.548 -","- Al0.3 Co0.749 D5.5554 La Mn0.4 Ni3.548 -","1","0.0416667","","Latroche, M; Rodriguez-Carvajal, J; Percheron-Guegan, A; Bouree-Vigneron, F","Structural studies of La Ni4 Co D6.11 and La Ni3.55 Mn0.4 Al0.3 Co0.75 D5.57 by means of neutron powder diffraction","Journal of Alloys Compd.","1995","218","","64","72","10.1016/0925-8388(94)01366-7","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006079","4.2364","0.0004","4.2364","0.0004","4.2364","0.0004","90","","90","","90","","76","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ammonium trifluoromanganate(II)","","- F3 H4 Mn N -","- F3 H8.0008 Mn N -","- F3 H8.0008 Mn N -","1","0.0208333","","Rubin, J; Palacios, E; Bartolome, J; Rodriguez-Carvajal, J","A single-crystal neutron diffraction study of N H4 Mn F3","Journal of Physics: Condensed Matter","1995","7","","563","575","10.1088/0953-8984/7/3/011","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006080","4.2364","0.0004","4.2364","0.0004","4.2364","0.0004","90","","90","","90","","76","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ammonium trifluoromanganate(II)","","- F3 H4 Mn N -","- F3 H4.0833 Mn N -","- F3 H4.0833 Mn N -","1","0.0208333","","Rubin, J; Palacios, E; Bartolome, J; Rodriguez-Carvajal, J","A single-crystal neutron diffraction study of N H4 Mn F3","Journal of Physics: Condensed Matter","1995","7","","563","575","10.1088/0953-8984/7/3/011","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006081","5.952","0.001","8.543","0.001","5.949","0.001","90","","90","","90","","302.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium trifluoromanganate(II)","","- F3 H4 Mn N -","- F3 H8.0495 Mn N -","- F12 H32.198 Mn4 N4 -","4","0.5","","Rubin, J; Palacios, E; Bartolome, J; Rodriguez-Carvajal, J","A single-crystal neutron diffraction study of N H4 Mn F3","Journal of Physics: Condensed Matter","1995","7","","563","575","10.1088/0953-8984/7/3/011","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006082","5.952","0.001","8.543","0.001","5.949","0.001","90","","90","","90","","302.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium trifluoromanganate(II)","","- F3 H4 Mn N -","- F3 H8.037 Mn N -","- F12 H32.148 Mn4 N4 -","4","0.5","","Rubin, J; Palacios, E; Bartolome, J; Rodriguez-Carvajal, J","A single-crystal neutron diffraction study of N H4 Mn F3","Journal of Physics: Condensed Matter","1995","7","","563","575","10.1088/0953-8984/7/3/011","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006083","10.8096","0.0002","3.4962","0.0001","12.4735","0.0002","90","","90","","90","","471.4","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Diholmium dicopper oxide","","- Cu2 Ho2 O5 -","- Cu2 Ho2 O5 -","- Cu8 Ho8 O20 -","4","1","","Garcia-Munoz, J L; Rodriguez-Carvajal, J","Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction","Journal of Solid State Chemistry","1995","115","","324","331","10.1006/jssc.1995.1141","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006084","10.796","0.002","3.494","0.001","12.4546","0.0002","90","","90","","90","","469.8","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Diyttrium dicopper oxide","","- Cu2 O5 Y2 -","- Cu2 O5 Y2 -","- Cu8 O20 Y8 -","4","1","","Garcia-Munoz, J L; Rodriguez-Carvajal, J","Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction","Journal of Solid State Chemistry","1995","115","","324","331","10.1006/jssc.1995.1141","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006085","10.7839","0.0002","3.4745","0.0001","12.4434","0.0003","90","","90","","90","","466.2","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Dierbium dicopper oxide","","- Cu2 Er2 O5 -","- Cu2 Er2 O5 -","- Cu8 Er8 O20 -","4","1","","Garcia-Munoz, J L; Rodriguez-Carvajal, J","Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction","Journal of Solid State Chemistry","1995","115","","324","331","10.1006/jssc.1995.1141","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006086","10.7353","0.0001","3.4575","0.0001","12.3704","0.0002","90","","90","","90","","459.2","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Dithulium dicopper oxide","","- Cu2 O5 Tm2 -","- Cu2 O5 Tm2 -","- Cu8 O20 Tm8 -","4","1","","Garcia-Munoz, J L; Rodriguez-Carvajal, J","Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction","Journal of Solid State Chemistry","1995","115","","324","331","10.1006/jssc.1995.1141","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006087","10.729","0.0001","3.4355","0.0001","12.3531","0.0001","90","","90","","90","","455.3","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Diytterbium dicopper oxide","","- Cu2 O5 Yb2 -","- Cu2 O5 Yb2 -","- Cu8 O20 Yb8 -","4","1","","Garcia-Munoz, J L; Rodriguez-Carvajal, J","Structural characterization of R2 Cu2 O5 (R=Yb,Tm,Er,Y and Ho) oxides by neutron diffraction","Journal of Solid State Chemistry","1995","115","","324","331","10.1006/jssc.1995.1141","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006088","14.097","0.006","5.613","0.002","5.123","0.002","90","","90","","90","","405.4","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Copper diniobate","","- Cu Nb2 O6 -","- Cu Nb2 O6 -","- Cu4 Nb8 O24 -","4","0.5","","Norwig, J; Weitzel, H; Paulus, H; Lautenschlaeger, G; Rodriguez-Carvajal, J; Fuess, H","Structural relations in mixed oxides Cux Zn1-x Nb2 O6","Journal of Solid State Chemistry","1995","115","","476","483","10.1006/jssc.1995.1162","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006089","14.187","0.005","5.73","0.002","5.031","0.002","90","","90","","90","","409","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Copper zinc diniobate (0.36/0.64/1)","","- Cu0.36 Nb2 O6 Zn0.64 -","- Cu0.36 Nb2 O6 Zn0.64 -","- Cu1.44 Nb8 O24 Zn2.56 -","4","0.5","","Norwig, J; Weitzel, H; Paulus, H; Lautenschlaeger, G; Rodriguez-Carvajal, J; Fuess, H","Structural relations in mixed oxides Cux Zn1-x Nb2 O6","Journal of Solid State Chemistry","1995","115","","476","483","10.1006/jssc.1995.1162","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006090","5.0064","0.0001","14.1733","0.0003","5.7615","0.0001","90","","91.672","0.001","90","","408.6","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Copper diniobate","","- Cu Nb2 O6 -","- Cu Nb2 O6 -","- Cu4 Nb8 O24 -","4","1","","Norwig, J; Weitzel, H; Paulus, H; Lautenschlaeger, G; Rodriguez-Carvajal, J; Fuess, H","Structural relations in mixed oxides Cux Zn1-x Nb2 O6","Journal of Solid State Chemistry","1995","115","","476","483","10.1006/jssc.1995.1162","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006091","5.007","0.0001","14.1706","0.0002","5.7547","0.0001","90","","91.451","0.001","90","","408.2","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Copper zinc niobium oxide (0.85/0.15/2/6)","","- Cu0.85 Nb2 O6 Zn0.15 -","- Cu0.85 Nb2 O6 Zn0.15 -","- Cu3.4 Nb8 O24 Zn0.6 -","4","1","","Norwig, J; Weitzel, H; Paulus, H; Lautenschlaeger, G; Rodriguez-Carvajal, J; Fuess, H","Structural relations in mixed oxides Cux Zn1-x Nb2 O6","Journal of Solid State Chemistry","1995","115","","476","483","10.1006/jssc.1995.1162","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006092","5.2067","0.0003","5.2067","0.0003","8.1431","0.0008","90","","90","","120","","191.2","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Thulium manganese germanide (1/6/6)","","- Ge6 Mn6 Tm -","- Ge6 Mn6 Tm -","- Ge6 Mn6 Tm -","1","0.0416667","","Schobinger, - Papamantellos P; Andre, G; Rodriguez-Carvajal, J; Brabers, J H V J; Buschow, K H J","A neutron diffraction study of the magnetic ordering of Tm Mn6 Ge6","Journal of Alloys Compd.","1995","226","","113","120","10.1016/0925-8388(95)01618-X","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006093","5.211","0.0004","5.211","0.0004","8.1397","0.001","90","","90","","120","","191.4","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Thulium manganese germanide (1/6/6)","","- Ge6 Mn6 Tm -","- Ge6 Mn6 Tm -","- Ge6 Mn6 Tm -","1","0.0416667","","Schobinger, - Papamantellos P; Andre, G; Rodriguez-Carvajal, J; Brabers, J H V J; Buschow, K H J","A neutron diffraction study of the magnetic ordering of Tm Mn6 Ge6","Journal of Alloys Compd.","1995","226","","113","120","10.1016/0925-8388(95)01618-X","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006094","5.1993","0.0007","5.1993","0.0007","8.1165","0.0011","90","","90","","120","","190","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Lutetium manganese germanide (1/6/6)","","- Ge6 Lu Mn6 -","- Ge6 Lu Mn6 -","- Ge6 Lu Mn6 -","1","0.0416667","","Schobinger-Papamantellos, P; Andre, G; Rodriguez-Carvajal, J; Brabers, J H V J; Buschow, K H J","A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6","Journal of Alloys Compd.","1995","226","","152","154","10.1016/0925-8388(95)01630-9","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006095","5.2002","0.0008","5.2002","0.0008","8.1169","0.0012","90","","90","","120","","190.1","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Lutetium manganese germanide (1/6/6)","","- Ge6 Lu Mn6 -","- Ge6 Lu Mn6 -","- Ge6 Lu Mn6 -","1","0.0416667","","Schobinger-Papamantellos, P; Andre, G; Rodriguez-Carvajal, J; Brabers, J H V J; Buschow, K H J","A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6","Journal of Alloys Compd.","1995","226","","152","154","10.1016/0925-8388(95)01630-9","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006096","5.2076","0.0009","5.2076","0.0009","8.1285","0.0015","90","","90","","120","","190.9","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Lutetium manganese germanide (1/6/6)","","- Ge6 Lu Mn6 -","- Ge6 Lu Mn6 -","- Ge6 Lu Mn6 -","1","0.0416667","","Schobinger-Papamantellos, P; Andre, G; Rodriguez-Carvajal, J; Brabers, J H V J; Buschow, K H J","A neutron diffraction study of the magnetic ordering of Lu Mn6 Ge6","Journal of Alloys Compd.","1995","226","","152","154","10.1016/0925-8388(95)01630-9","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006098","13.5795","0.0007","9.7024","0.0007","7.0147","0.0003","90","","90","","90","","924.2","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium aquapentachloroferrate(III)","","- Cl5 Fe H2 K2 O -","- Cl5 Fe H2 K2 O -","- Cl20 Fe4 H8 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006099","13.5862","0.0009","9.7087","0.0005","7.0177","0.0005","90","","90","","90","","925.7","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe K2 O -","- Cl5 D2 Fe K2 O -","- Cl20 D8 Fe4 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006100","13.4653","0.0003","9.6132","0.0002","6.9836","0.0002","90","","90","","90","","904","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe K2 O -","- Cl5 D2 Fe K2 O -","- Cl20 D8 Fe4 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006101","13.4389","0.0003","9.6025","0.0002","6.9789","0.0002","90","","90","","90","","900.6","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe K2 O -","- Cl5 D2 Fe K2 O -","- Cl20 D8 Fe4 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006102","13.4391","0.0003","9.5981","0.0002","6.9797","0.0002","90","","90","","90","","900.3","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe K2 O -","- Cl5 D2 Fe K2 O -","- Cl20 D8 Fe4 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006103","13.8015","0.0002","9.9049","0.0001","7.0783","0.0001","90","","90","","90","","967.6","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe O Rb2 -","- Cl5 D2 Fe O Rb2 -","- Cl20 D8 Fe4 O4 Rb8 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006104","13.7101","0.0001","9.8517","0.0001","7.0255","0","90","","90","","90","","948.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe O Rb2 -","- Cl5 D2 Fe O Rb2 -","- Cl20 D8 Fe4 O4 Rb8 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006105","13.6798","0.0002","9.8507","0.0002","7.0069","0.0001","90","","90","","90","","944.2","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe O Rb2 -","- Cl5 D2 Fe O Rb2 -","- Cl20 D8 Fe4 O4 Rb8 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006106","13.6801","0.0002","9.8471","0.0002","7.0073","0.0001","90","","90","","90","","943.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe O Rb2 -","- Cl5 D2 Fe O Rb2 -","- Cl20 D8 Fe4 O4 Rb8 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006113","5.4492","0.0002","5.4492","0.0002","12.5362","0.0006","90","","90","","90","","372.2","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Praseodymium nickel oxide (2/1/4.18)","","- Ni O4.18 Pr2 -","- Ni O4.18 Pr2 -","- Ni4 O16.72 Pr8 -","4","0.25","","Allancon, C; Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Odier, P; Bassat, J M; Loup, J P; Martinez, J L","Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d","Zeitschrift fuer Physik, B (1984-)","1995","100","","85","90","","","","","","","0.109","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1006114","5.4492","0.0002","5.4492","0.0002","12.5361","0.0006","90","","90","","90","","372.2","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Praseodymium nickel oxide (2/1/4.2)","","- Ni O4.2 Pr2 -","- Ni O4.2 Pr2 -","- Ni4 O16.8 Pr8 -","4","0.25","","Allancon, C; Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Odier, P; Bassat, J M; Loup, J P; Martinez, J L","Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d","Zeitschrift fuer Physik, B (1984-)","1995","100","","85","90","","","","","","","0.111","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1006115","5.4491","0.0002","5.4491","0.0002","12.5359","0.0006","90","","90","","90","","372.2","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Praseodymium nickel oxide (2/1/4.22)","","- Ni O4.216 Pr2 -","- Ni O4.216 Pr2 -","- Ni4 O16.864 Pr8 -","4","0.25","","Allancon, C; Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Odier, P; Bassat, J M; Loup, J P; Martinez, J L","Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d","Zeitschrift fuer Physik, B (1984-)","1995","100","","85","90","","","","","","","0.115","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007231","7.938","0.002","7.674","0.002","9.556","0.002","113.39","0.04","93.83","0.04","83","0.04","530.2","","","","","","","","","","","","","5","P -1","-P 1","2","","Caesium lithium cyclo-hexaphosphate hydrate (3.1/3/1/1.98)","","- Cs3.064 H3.96 Li3 O19.98 P6 -","- Cs3.064 H3.96 Li3 O19.98 P6 -","- Cs3.064 H3.96 Li3 O19.98 P6 -","1","0.5","","El Mokhtar, O S M; Rzaigui, M; Said, H; Averbuch-Pouchot, M T; Durif, A","Synthesis and crystal structure of cesium-lithium cyclohexaphosphate dihydrate","Materials Research Bulletin","1995","30","","1049","1054","10.1016/0025-5408(95)00072-0","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008674","3.86521","0.00007","3.86521","0.00007","15.6486","0.0004","90","","90","","90","","233.8","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Mercury barium calcium copper oxide (0.69/2/2/3/8.6)","","- Ba2 Ca2 Cu3 Hg0.692 O8.6 -","- Ba2 Ca2 Cu3 Hg0.692 O8.6 -","- Ba2 Ca2 Cu3 Hg0.692 O8.6 -","1","0.0625","","Kopnin, E M; Antipov, E V; Capponi, J J; Bordet, P; Chaillout, C; de Brion, S; Marezio, M; Bobylev, A P; Van Tendeloo, G","Suppression of superconductivity in Hg-1223 and Hg-1234 by partial replacement of Hg by carbon","Physica C (Amsterdam) (152,1988-)","1995","243","","222","232","10.1016/0921-4534(95)00010-0","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008675","3.8639","0.00004","3.8639","0.00004","9.4771","0.0002","90","","90","","90","","141.5","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (0.96/2/1/4.34)","","- Ba2 Cu Hg0.96 O4.34 -","- Ba2 Cu Hg0.96 O4.34 -","- Ba2 Cu Hg0.96 O4.34 -","1","0.0625","","Alexandre, E T; Loureiro, S M; Antipov, E V; Bordet, P; de Brion, S; Capponi, J J; Marezio, M","On the possibility of replacing Hg by Cu in the Hg Ba2 Cu O(4+d) phase synthesized under high-pressure","Physica C (Amsterdam) (152,1988-)","1995","245","","207","211","10.1016/0921-4534(95)00094-1","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008676","3.86586","0.00005","3.86586","0.00005","9.4764","0.0003","90","","90","","90","","141.6","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (0.98/2/1/4.34)","","- Ba2 Cu Hg0.98 O4.34 -","- Ba2 Cu Hg0.98 O4.34 -","- Ba2 Cu Hg0.98 O4.34 -","1","0.0625","","Alexandre, E T; Loureiro, S M; Antipov, E V; Bordet, P; de Brion, S; Capponi, J J; Marezio, M","On the possibility of replacing Hg by Cu in the Hg Ba2 Cu O(4+d) phase synthesized under high-pressure","Physica C (Amsterdam) (152,1988-)","1995","245","","207","211","10.1016/0921-4534(95)00094-1","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008678","18.84799","0.003","10.918","0.002","3.9153","0.0005","90","","90","","90","","805.7","","","","","","","","","","","","","3","P n m m :2","-P 2c 2bc","59","","Erbium iridium silicide (4/13/9)","","- Er4 Ir13 Si9 -","- Er4 Ir13 Si9 -","- Er8 Ir26 Si18 -","2","0.25","","Verniere, A; Lejay, P; Bordet, P; Chenavas, J; Tholence, J L; Boucherle, J X; Keller, N","Crystal structure and physical properties of new ternary silicides R4 T13 X9 (R, rare earth or uranium; T, rhodium or iridium; X, silicon or germanium)","Journal of Alloys Compd.","1995","218","","197","203","10.1016/0925-8388(94)01400-0","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008679","7.1838","0.0002","9.7373","0.0003","5.6018","0.0002","90","","90","","90","","391.9","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Cerium iridium silicide (1/3/2)","","- Ce Ir3 Si2 -","- Ce Ir3 Si2 -","- Ce4 Ir12 Si8 -","4","0.25","","Verniere, A; Lejay, P; Bordet, P; Chenavas, J; Tholence, J L; Boucherle, J X; Keller, N","Crystal structure and physical properties of new ternary silicides R4 T13 X9 (R, rare earth or uranium; T, rhodium or iridium; X, silicon or germanium)","Journal of Alloys Compd.","1995","218","","197","203","10.1016/0925-8388(94)01400-0","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008680","5.381","0.003","5.381","0.003","8.798","0.006","90","","90","","120","","220.6","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium chromium manganese deuteride (1/1.8/0.2/2.46)","","- Cr1.8 D2.46 Mn0.2 Zr -","- Cr1.8 D2.46 Mn0.2 Zr -","- Cr7.2 D9.84 Mn0.8 Zr4 -","4","0.166667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; Pontonnier, L","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides","Journal of Alloys Compd.","1995","219","","48","54","10.1016/0925-8388(94)05019-8","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008681","5.374","0.002","5.374","0.002","8.784","0.004","90","","90","","120","","219.7","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium chromium iron deuteride (1/1.8/0.2/3.66)","","- Cr1.8 D3.66 Fe0.2 Zr -","- Cr1.8 D3.66 Fe0.2 Zr -","- Cr7.2 D14.64 Fe0.8 Zr4 -","4","0.166667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; Pontonnier, L","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides","Journal of Alloys Compd.","1995","219","","48","54","10.1016/0925-8388(94)05019-8","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008682","5.37","0.002","5.37","0.002","8.789","0.003","90","","90","","120","","219.5","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium chromium cobalt deuteride (1/1.8/0.2/3.62)","","- Co0.2 Cr1.8 D3.615 Zr -","- Co0.2 Cr1.8 D3.615 Zr -","- Co0.8 Cr7.2 D14.46 Zr4 -","4","0.166667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; Pontonnier, L","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides","Journal of Alloys Compd.","1995","219","","48","54","10.1016/0925-8388(94)05019-8","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008683","5.367","0.002","5.367","0.002","8.793","0.003","90","","90","","120","","219.3","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium chromium nickel deuteride (1/1.8/0.2/3.53)","","- Cr1.8 D3.525 Ni0.2 Zr -","- Cr1.8 D3.525 Ni0.2 Zr -","- Cr7.2 D14.1 Ni0.8 Zr4 -","4","0.166667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; Pontonnier, L","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides","Journal of Alloys Compd.","1995","219","","48","54","10.1016/0925-8388(94)05019-8","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008684","5.357","0.002","5.357","0.002","8.722","0.003","90","","90","","120","","216.8","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zirconium chromium copper deuteride (1/1.8/0.2/3.68)","","- Cr1.8 Cu0.2 D3.684 Zr -","- Cr1.8 Cu0.2 D3.684 Zr -","- Cr7.2 Cu0.8 D14.736 Zr4 -","4","0.166667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; Pontonnier, L","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides","Journal of Alloys Compd.","1995","219","","48","54","10.1016/0925-8388(94)05019-8","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008685","7.68","0.002","7.68","0.002","7.68","0.002","90","","90","","90","","453","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Zirconium chromium deuteride (1/2/3.51)","","- Cr2 D3.51 Zr -","- Cr2 D3.51 Zr -","- Cr16 D28.08 Zr8 -","8","0.0416667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; Pontonnier, L","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides","Journal of Alloys Compd.","1995","219","","48","54","10.1016/0925-8388(94)05019-8","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008686","7.754","0.002","7.754","0.002","7.754","0.002","90","","90","","90","","466.2","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Zirconium chromium manganese deuteride (1/1.8/0.2/3.80)","","- Cr1.8 D3.8 Mn0.2 Zr -","- Cr1.8 D3.7996 Mn0.2 Zr -","- Cr14.4 D30.3968 Mn1.6 Zr8 -","8","0.0416667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; Pontonnier, L","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides","Journal of Alloys Compd.","1995","219","","48","54","10.1016/0925-8388(94)05019-8","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008687","7.6551","0.0008","7.6551","0.0008","7.6551","0.0008","90","","90","","90","","448.6","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Zirconium chromium iron deuteride (1/1.8/0.2/3.65)","","- Cr1.8 D3.65 Fe0.2 Zr -","- Cr1.8 D3.6504 Fe0.2 Zr -","- Cr14.4 D29.2032 Fe1.6 Zr8 -","8","0.0416667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; Pontonnier, L","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides","Journal of Alloys Compd.","1995","219","","48","54","10.1016/0925-8388(94)05019-8","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008688","7.6605","0.0007","7.6605","0.0007","7.6605","0.0007","90","","90","","90","","449.5","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Zirconium chromium cobalt deuteride (1/1.8/0.2/3.56)","","- Co0.2 Cr1.8 D3.56 Zr -","- Co0.2 Cr1.8 D3.5596 Zr -","- Co1.6 Cr14.4 D28.4768 Zr8 -","8","0.0416667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; Pontonnier, L","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M =Mn,Fe,Co,Ni,Cu and 0 < x <0.2 and their hydrides","Journal of Alloys Compd.","1995","219","","48","54","10.1016/0925-8388(94)05019-8","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008689","9.838","","9.838","","6.377","","90","","90","","90","","617.2","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Samarium cobalt silicon carbide (1/9/2/0.6)","","- C0.6 Co9 Si2 Sm -","- C0.6 Co9 Si2 Sm -","- C2.4 Co36 Si8 Sm4 -","4","0.125","","Skolozdra, R; Akselrud, L; Fruchart, D; Gignoux, D; Gorolenko, Yu; Soubeyroux, J L; Tomey, E","Magnetic and structural properties of new Sm Co9 Si2 Cx compounds (x=0.,0.6,0.9)","Journal of Magnetism and Magnetic Materials","1995","140","","915","916","","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1008710","15.904","0.007","15.904","0.007","16.67","0.02","90","","90","","120","","3651.6","","","","","","","","","","","","","5","P 63","P 6c","173","","Dodecaguanidinium cyclo-dodecaphosphate hexahydrate","","- C12 H84 N36 O42 P12 -","- C12 H84 N36 O42 P12 -","- C24 H168 N72 O84 P24 -","2","0.333333","","Schuelke, U; Averbuch-Pouchot, M T","Preparation and crystal structure of guanidinium cyclododecaphosphate hexahydrate: (C (N H2)3)12 P12 O36 . 6(H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1232","1236","10.1002/zaac.19956210721","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1008714","5.371","0.001","5.371","0.001","8.782","0.003","90","","90","","120","","219.4","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Zirconium chromium copper nickel deuteride (1/1.6/0.2/0.2/3.8)","","- Cr1.6 Cu0.2 D3.78 Ni0.2 Zr -","- Cr1.6 Cu0.2 D3.78 Ni0.2 Zr -","- Cr6.4 Cu0.8 D15.12 Ni0.8 Zr4 -","4","0.166667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; de Rango, P","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M = (Cu0.5 Ni0.5) and 0<x<0.2 and their hydrides","Journal of Alloys Compd.","1995","231","","760","765","10.1016/0925-8388(95)01714-3","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008715","5.385","0.002","5.385","0.002","8.818","0.005","90","","90","","120","","221.4","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Zirconium chromium copper nickel deuteride (1/1.4/0.3/0.3/3.48)","","- Cr1.4 Cu0.3 D3.48 Ni0.3 Zr -","- Cr1.4 Cu0.3 D3.48 Ni0.3 Zr -","- Cr5.6 Cu1.2 D13.92 Ni1.2 Zr4 -","4","0.166667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; de Rango, P","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M = (Cu0.5 Ni0.5) and 0<x<0.2 and their hydrides","Journal of Alloys Compd.","1995","231","","760","765","10.1016/0925-8388(95)01714-3","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008716","5.343","0.002","5.343","0.002","8.744","0.003","90","","90","","120","","216.2","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Zirconium chromium copper nickel deuteride (1/1.2/0.4/0.4/3.51)","","- Cr1.2 Cu0.4 D3.51 Ni0.4 Zr -","- Cr1.2 Cu0.4 D3.51 Ni0.4 Zr -","- Cr4.8 Cu1.6 D14.04 Ni1.6 Zr4 -","4","0.166667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; de Rango, P","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M = (Cu0.5 Ni0.5) and 0<x<0.2 and their hydrides","Journal of Alloys Compd.","1995","231","","760","765","10.1016/0925-8388(95)01714-3","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008717","7.666","0.001","7.666","0.001","7.666","0.001","90","","90","","90","","450.5","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Zirconium chromium copper nickel deuteride (1/1.6/0.2/0.2/3.8)","","- Cr1.6 Cu0.2 D3.8 Ni0.2 Zr -","- Cr1.6 Cu0.2 D3.8004 Ni0.2 Zr -","- Cr12.8 Cu1.6 D30.4032 Ni1.6 Zr8 -","8","0.0416667","","Soubeyroux, J L; Bououdina, M; Fruchart, D; de Rango, P","Phase stability and neutron diffraction studies of Laves phases Zr (Cr1- x Mx)2 with M = (Cu0.5 Ni0.5) and 0<x<0.2 and their hydrides","Journal of Alloys Compd.","1995","231","","760","765","10.1016/0925-8388(95)01714-3","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008718","8.805","","8.805","","12.206","","90","","90","","90","","946.3","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Neodymium iron boride (2/14/1)","","- B Fe14 Nd2 -","- B Fe14 Nd2 -","- B4 Fe56 Nd8 -","4","0.25","","Isnard, O; Yelon, W B; Miraglia, S; Fruchart, D","Neutron-diffraction study of the insertion scheme of hydrogen in Nd2 Fe14 B","Journal of Applied Physics","1995","78","3","1892","1898","10.1063/1.360720","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008719","8.841","","8.841","","12.242","","90","","90","","90","","956.9","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Neodymium iron boride hydride (2/14/1/1.04)","","- B Fe14 H1.04 Nd2 -","- B Fe14 H1.04 Nd2 -","- B4 Fe56 H4.16 Nd8 -","4","0.25","","Isnard, O; Yelon, W B; Miraglia, S; Fruchart, D","Neutron-diffraction study of the insertion scheme of hydrogen in Nd2 Fe14 B","Journal of Applied Physics","1995","78","3","1892","1898","10.1063/1.360720","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008720","8.869","","8.869","","12.294","","90","","90","","90","","967","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Neodymium iron boride hydride (2/14/1/1.86)","","- B Fe14 H1.86 Nd2 -","- B Fe14 H1.86 Nd2 -","- B4 Fe56 H7.44 Nd8 -","4","0.25","","Isnard, O; Yelon, W B; Miraglia, S; Fruchart, D","Neutron-diffraction study of the insertion scheme of hydrogen in Nd2 Fe14 B","Journal of Applied Physics","1995","78","3","1892","1898","10.1063/1.360720","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008721","8.906","","8.906","","12.327","","90","","90","","90","","977.7","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Neodymium iron boride hydride (2/14/1/3.31)","","- B Fe14 H3.31 Nd2 -","- B Fe14 H3.31 Nd2 -","- B4 Fe56 H13.24 Nd8 -","4","0.25","","Isnard, O; Yelon, W B; Miraglia, S; Fruchart, D","Neutron-diffraction study of the insertion scheme of hydrogen in Nd2 Fe14 B","Journal of Applied Physics","1995","78","3","1892","1898","10.1063/1.360720","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008722","8.917","","8.917","","12.344","","90","","90","","90","","981.5","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Neodymium iron boride hydride (2/14/1/4.73)","","- B Fe14 H4.73 Nd2 -","- B Fe14 H4.73 Nd2 -","- B4 Fe56 H18.92 Nd8 -","4","0.25","","Isnard, O; Yelon, W B; Miraglia, S; Fruchart, D","Neutron-diffraction study of the insertion scheme of hydrogen in Nd2 Fe14 B","Journal of Applied Physics","1995","78","3","1892","1898","10.1063/1.360720","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008723","3.8732","0.00002","3.8732","0.00002","9.48088","0.00008","90","","90","","90","","142.2","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (1/2/1/4.12)","","- Ba2 Cu Hg O4.12 -","- Ba2 Cu Hg O4.12 -","- Ba2 Cu Hg O4.12 -","1","0.0625","","Marezio, M; Alexandre, E T; Bordet, P; Capponi, J - J; Chaillout, C; Kopnin, E M; Loureiro, S M; Radaelli, P G; Van Tendeloo, G","Cation and anion disorder in Hg Ba2 Can-1 Cun O2n+2+d","Journal of Superconductivity","1995","8","4","507","510","10.1007/BF00722842","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008730","5.686","0.001","9.676","0.004","8.844","0.003","90","","92.35","0.02","90","","486.2","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Calcium dihydrogen tetrakis(phosphate(V))","","- Ca H2 O12 P4 -","- Ca H2 O12 P4 -","- Ca2 H4 O24 P8 -","2","0.5","","Averbuch-Pouchot, M T","Preparation and crystal structure of an acidic long-chain polyphosphate: Ca H2 (P O3)4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","506","509","10.1002/zaac.19956210330","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008731","4.006","0.002","4.006","0.002","27.58099","0.005","90","","90","","120","","383.3","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sodium diarsenidodistannate","","- As2 Na Sn2 -","- As2 Na Sn2 -","- As6 Na3 Sn6 -","3","0.0833333","","Asbrand, M; Eisenmann, B; Klein, J","Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2 As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","576","582","10.1002/zaac.19956210415","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008732","4.101","0.002","4.101","0.002","26.48599","0.005","90","","90","","120","","385.8","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Sodium calcium diarsenidodistannate (0.3/0.7/1)","","- As2 Ca0.7 Na0.3 Sn2 -","- As2 Ca0.7 Na0.3 Sn2 -","- As6 Ca2.1 Na0.9 Sn6 -","3","0.0833333","","Asbrand, M; Eisenmann, B; Klein, J","Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2 As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","576","582","10.1002/zaac.19956210415","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008733","4.117","0.002","4.117","0.002","27.185","0.006","90","","90","","120","","399","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Sodium strontium diarsenidodistannate (0.4/0.6/1)","","- As2 Na0.4 Sn2 Sr0.6 -","- As2 Na0.4 Sn2 Sr0.6 -","- As6 Na1.2 Sn6 Sr1.8 -","3","0.0833333","","Asbrand, M; Eisenmann, B; Klein, J","Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2 As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","576","582","10.1002/zaac.19956210415","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008734","4.176","0.002","4.176","0.002","27.146","0.005","90","","90","","120","","410","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Potassium strontium diarsenidodistannate (0.3/0.7/1)","","- As2 K0.3 Sn2 Sr0.7 -","- As2 K0.3 Sn2 Sr0.7 -","- As6 K0.9 Sn6 Sr2.1 -","3","0.0833333","","Asbrand, M; Eisenmann, B; Klein, J","Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2 As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","576","582","10.1002/zaac.19956210415","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008735","4.204","0.001","4.204","0.001","26.726","0.005","90","","90","","120","","409.1","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Strontium diarsenidodistannate","","- As2 Sn2 Sr -","- As2 Sn2 Sr -","- As6 Sn6 Sr3 -","3","0.0833333","","Asbrand, M; Eisenmann, B; Klein, J","Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2 As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","576","582","10.1002/zaac.19956210415","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008770","4.092","0.002","4.092","0.002","27.93399","0.006","90","","90","","120","","405.1","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Sodium barium diarsenidodistannate (0.6/0.4/1)","","- As2 Ba0.4 Na0.6 Sn2 -","- As2 Ba0.4 Na0.6 Sn2 -","- As6 Ba1.2 Na1.8 Sn6 -","3","0.0833333","","Asbrand, M; Eisenmann, B; Klein, J","Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2 As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","576","582","10.1002/zaac.19956210415","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008863","3.85159","0.00003","3.85159","","15.7644","0.0004","90","","90","","90","","233.9","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Mercury barium calcium copper oxide (1/2/2/3/8.16)","","- Ba2 Ca2 Cu3 Hg O8.16 -","- Ba2 Ca2 Cu3 Hg O8.16 -","- Ba2 Ca2 Cu3 Hg O8.16 -","1","0.0625","","Armstrong, A R; David, W I F; Gameson, I; Edwards, P P; Capponi, J J; Bordet, P; Marezio, M","Pressure-induced structural changes in superconducting Hg Ba2 Ca(n-1) Cu(n) O(2n+2+d) (n=1,2,3) componunds","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1995","52","","15551","15557","10.1103/PhysRevB.52.15551","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008864","3.8089","0.0003","3.8089","0.0003","15.4","0.004","90","","90","","90","","223.4","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Mercury barium calcium copper oxide (1/2/2/3/8.16)","","- Ba2 Ca2 Cu3 Hg O8.16 -","- Ba2 Ca2 Cu3 Hg O8.16 -","- Ba2 Ca2 Cu3 Hg O8.16 -","1","0.0625","","Armstrong, A R; David, W I F; Gameson, I; Edwards, P P; Capponi, J J; Bordet, P; Marezio, M","Pressure-induced structural changes in superconducting Hg Ba2 Ca(n-1) Cu(n) O(2n+2+d) (n=1,2,3) componunds","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1995","52","","15551","15557","10.1103/PhysRevB.52.15551","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008865","3.7608","0.0006","3.7608","0.0006","15.018","0.007","90","","90","","90","","212.4","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Mercury barium calcium copper oxide (1/2/2/3/8.16)","","- Ba2 Ca2 Cu3 Hg O8.16 -","- Ba2 Ca2 Cu3 Hg O8.16 -","- Ba2 Ca2 Cu3 Hg O8.16 -","1","0.0625","","Armstrong, A R; David, W I F; Gameson, I; Edwards, P P; Capponi, J J; Bordet, P; Marezio, M","Pressure-induced structural changes in superconducting Hg Ba2 Ca(n-1) Cu(n) O(2n+2+d) (n=1,2,3) componunds","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1995","52","","15551","15557","10.1103/PhysRevB.52.15551","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100381","8.951","0.001","18.325","0.001","12.788","0.001","90","","93.53","0.005","90","","2093.6","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 Li O3 -","- C22 H33 Li O3 -","- C88 H132 Li4 O12 -","4","1","","Hoppe, Inga; Marsch, Michael; Harms, Klaus; Boche, Gernot; Hoppe, Dieter","Generation of Enantiomerically Enriched Lithium Indenides by Means of(‒)-Sparteine: Structure, Stereoselective Substitution, and Solvent Effects","Angewandte Chemie, International Edition in English","1995","34","19","2158","2160","10.1002/anie.199521581","","","","","","","","","","","","","","","","","","","","","has coordinates","177375","2020-10-21","18:00:00",""
"1100382","10.966","0.0007","11.597","0.0005","19.015","0.0009","90","","90","","90","","2418.19","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 Li N2 -","- C28 H41 Li N2 -","- C112 H164 Li4 N8 -","4","1","","Hoppe, Inga; Marsch, Michael; Harms, Klaus; Boche, Gernot; Hoppe, Dieter","Generation of Enantiomerically Enriched Lithium Indenides by Means of(‒)-Sparteine: Structure, Stereoselective Substitution, and Solvent Effects","Angewandte Chemie, International Edition in English","1995","34","19","2158","2160","10.1002/anie.199521581","","","","","","","","","","","","","","","","","","","","","has coordinates","177375","2020-10-21","18:00:00",""
"1100399","12.265","","14.544","","32.444","","90","","90","","90","","5787.43","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H40 Li2 N2 O4 S2 -","- C22 H40 Li2 N2 O4 S2 -","- C176 H320 Li16 N16 O32 S16 -","8","1","","Boche, Gernot; Hilf, Christof; Harms, Klaus; Marsch, Michael; Lohrenz, John C. W.","Crystal Structure of the Dimeric(4-tert-Butylthiazolato)(glyme)lithium: Carbene Character of a Formyl Anion Equivalent","Angewandte Chemie, International Edition in English","1995","34","4","487","489","10.1002/anie.199504871","","","","","","","","","","","","","","","","","","","","","has coordinates","177009","2020-10-21","18:00:00",""
"1100400","11.394","","8.767","","13.998","","90","","110.08","","90","","1313.28","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 Cl N O4 -","- C11 H16 Cl N O8 -","- C44 H64 Cl4 N4 O32 -","4","2","","Reichardt, Christian; Harms, Klaus; Kinzel, Manuela; Schäfer, Gerhard; Stein, Jörg; Wočadlo, Sigrid","Chiral polymethine dyes, IV. Synthesis, absolute configuration, spectroscopic and chiroptical properties of chiral tri- and pentamethinium cyanine dyes with 1,2,3,4-tetrahydro-6-methylquinolyl end groups","Liebigs Annalen","1995","1995","2","317","327","10.1002/jlac.199519950240","","","","","","","","","","","","","","","","","","","","","has coordinates","177964","2020-10-21","18:00:00",""
"1100401","5.429","","8.437","","27.388","","90","","94.35","","90","","1250.88","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H35 Br N2 O -","- C27 H35 Br N2 O -","- C54 H70 Br2 N4 O2 -","2","1","","Reichardt, Christian; Harms, Klaus; Kinzel, Manuela; Schäfer, Gerhard; Stein, Jörg; Wočadlo, Sigrid","Chiral polymethine dyes, IV. Synthesis, absolute configuration, spectroscopic and chiroptical properties of chiral tri- and pentamethinium cyanine dyes with 1,2,3,4-tetrahydro-6-methylquinolyl end groups","Liebigs Annalen","1995","1995","2","317","327","10.1002/jlac.199519950240","","","","","","","","","","","","","","","","","","","","","has coordinates","177964","2020-10-21","18:00:00",""
"1100402","22.789","","8.161","","9.039","","90","","90","","90","","1681.08","","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C39 H57 B F4 N2 -","- C77 H85 B F12 N4 -","- C154 H170 B2 F24 N8 -","2","0.5","","Reichardt, Christian; Budnik, Ulrich; Harms, Klaus; Schäfer, Gerhard; Stein, Jörg","Chiral polymethine dyes, V. syntheses, absolute configuration, spectroscopic, and chiroptical properties of chiral dinuclear tri- and pentamethinium as well as trinuclear [2.2.2]heptamethinediium cyanine dyes with 3-sec-butyl-1,3-dimethylindolyl end groups","Liebigs Annalen","1995","1995","2","329","340","10.1002/jlac.199519950241","","","","","","","","","","","","","","","","","","","","","has coordinates","177965","2020-10-21","18:00:00",""
"1100403","7.601","0.002","17.345","0.003","19.01","0.006","90","","90","","90","","2506.27","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 Li O2 -","- C29 H35 Li O2 -","- C116 H140 Li4 O8 -","4","1","","Dem'yanov, Piotr; Boche, Gernot; Marsch, Michael; Harms, Klaus; Fyodorova, Galina; Petrosyan, Valery","Crystal Structure of η^3^-lithio-1,3,3-triphenylpropyne-(diethyl ether)~2~ and [1-lithio-1-(2-methoxyphenyl)-3,3-diphenylallene‒diethyl ether]~2~: Propargyl- versus allenyl-type structures","Liebigs Annalen","1995","1995","3","457","460","10.1002/jlac.199519950361","","","","","","","","","","","","","","","","","","","","","has coordinates","177966","2020-10-21","18:00:00",""
"1100404","11.05","0.005","11.561","0.005","19.302","0.009","96.94","0.03","93","0.03","115.58","0.02","2192.74","","","","","","","","","","","","","4","P 1","P 1","1","","","","- C26 H27 Li O2 -","- C13 H13.5 Li0.5 O -","- C52 H54 Li2 O4 -","4","4","","Dem'yanov, Piotr; Boche, Gernot; Marsch, Michael; Harms, Klaus; Fyodorova, Galina; Petrosyan, Valery","Crystal Structure of η^3^-lithio-1,3,3-triphenylpropyne-(diethyl ether)~2~ and [1-lithio-1-(2-methoxyphenyl)-3,3-diphenylallene‒diethyl ether]~2~: Propargyl- versus allenyl-type structures","Liebigs Annalen","1995","1995","3","457","460","10.1002/jlac.199519950361","","","","","","","","","","","","","","","","","","","","","has coordinates","177966","2020-10-21","18:00:00",""
"1100405","8.087","0.002","15.071","0.003","12.261","0.002","90","","108.45","0.03","90","","1417.55","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 As Nb -","- C14 H22 As Nb -","- C56 H88 As4 Nb4 -","4","1","","Nikonov, Georgii I.; Lorberth, Jorg; Harms, Klaus; Lemenovskii, Dmitry A.","The First Arsenido-Substituted Niobocene Derivative","Inorganic Chemistry","1995","34","9","2461","2463","10.1021/ic00113a030","","","","","","","","","","","","","","","","","","","","","has coordinates","177995","2020-10-21","18:00:00",""
"1100406","15.107","0.002","18.628","0.003","9.889","0.001","90","","90","","90","","2782.9","","","","","","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C6 H18 Cl I N P Si -","- C6 H18 Cl I N P Si -","- C48 H144 Cl8 I8 N8 P8 Si8 -","8","1","","Grebe, J.; Harms, K.; Weller, F.; Dehnicke, K.","Reaktionen silylierter Phosphanimine mit Iodmonochlorid und Iodtrichlorid. Die Kristallstrukturen von [Me~3~SiNPMe~3~ · ICl], [Ph~3~PNCl · ICl] und [Me~3~PN(H)PMe~3~] [ICl~2~]~2~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","9","1489","1495","10.1002/zaac.19956210909","","","","","","","","","","","","","","","","","","","","","has coordinates","177943","2020-10-21","18:00:00",""
"1100407","15.228","0.002","14.083","0.001","8.658","0.001","90","","90","","90","","1856.76","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H15 Cl2 I N P -","- C18 H15 Cl2 I N P -","- C72 H60 Cl8 I4 N4 P4 -","4","1","","Grebe, J.; Harms, K.; Weller, F.; Dehnicke, K.","Reaktionen silylierter Phosphanimine mit Iodmonochlorid und Iodtrichlorid. Die Kristallstrukturen von [Me~3~SiNPMe~3~ · ICl], [Ph~3~PNCl · ICl] und [Me~3~PN(H)PMe~3~] [ICl~2~]~2~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","9","1489","1495","10.1002/zaac.19956210909","","","","","","","","","","","","","","","","","","","","","has coordinates","177943","2020-10-21","18:00:00",""
"1100408","12.231","0.001","10.902","0.001","14.828","0.002","90","","112.21","0.01","90","","1830.5","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H19 Cl4 I2 N P2 -","- C6 H19 Cl4 I2 N P2 -","- C24 H76 Cl16 I8 N4 P8 -","4","1","","Grebe, J.; Harms, K.; Weller, F.; Dehnicke, K.","Reaktionen silylierter Phosphanimine mit Iodmonochlorid und Iodtrichlorid. Die Kristallstrukturen von [Me~3~SiNPMe~3~ · ICl], [Ph~3~PNCl · ICl] und [Me~3~PN(H)PMe~3~] [ICl~2~]~2~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","9","1489","1495","10.1002/zaac.19956210909","","","","","","","","","","","","","","","","","","","","","has coordinates","177943","2020-10-21","18:00:00",""
"1100409","12.614","0.001","21.611","0.001","22.789","0.001","90","","90","","90","","6212.31","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C76 H64 O4 P4 Pd -","- C76 H64 O4 P4 Pd -","- C304 H256 O16 P16 Pd4 -","4","1","","Bolm, Carsten; Kaufmann, Daniel; Gessler, Simon; Harms, Klaus","Crystal structure of a new chiral Pd(0) / diphosphine complex and its use in enantioselective allylic alkylations","Journal of Organometallic Chemistry","1995","502","1-2","47","52","10.1016/0022-328x(95)05687-k","","","","","","","","","","","","","","","","","","","","","has coordinates","178084","2020-10-21","18:00:00",""
"1100410","10.474","0.002","10.68","0.001","14.424","0.002","90.36","0.01","110.34","0.01","113.32","0.01","1369.77","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Co3 Cr O7 P2 -","- C25 H25 Co3 Cr O7 P2 -","- C50 H50 Co6 Cr2 O14 P4 -","2","1","","Elschenbioich, Christoph; Isenburg, Thomas; Behrendt, Andreas; Frenzen, Gerlinde; Harms, Klaus","Metal π-complexes of benzene derivatives XLVIII. Dimethylphosphano derivatives of bis(benzene) chromium as monodentate and chelating ligands at μ-ethylidyne-nona(carbonyl)-tri(cobalt). Synthesis via ETC-autocatalysis, crystal structure determination and redox behavior of [(Me~2~P-η^6^-C~6~H~5~)(η^6^-C~6~H~6~)Cr[(μ-MeC)Co~3~(CO)~8~], [(Me~2~P-η^6^-C~6~H~5~)~2~Cr][(μ-MeC) Co~3~(CO)~8~]~2~ and [(Me~2~P-η^6^-C~6~H~5~)~2~Cr][μ,-MeC)Co~3~(CO)~7~]","Journal of Organometallic Chemistry","1995","501","1-2","129","144","10.1016/0022-328x(95)05617-x","","","","","","","","","","","","","","","","","","","","","has coordinates","178083","2020-10-21","18:00:00",""
"1100411","8.625","0.004","10.057","0.005","12.827","0.006","106.54","0.03","94.86","0.03","93.52","0.04","1058.49","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Co6 Cr O16 P2 -","- C36 H28 Co6 Cr O16 P2 -","- C36 H28 Co6 Cr O16 P2 -","1","0.5","","Elschenbioich, Christoph; Isenburg, Thomas; Behrendt, Andreas; Frenzen, Gerlinde; Harms, Klaus","Metal π-complexes of benzene derivatives XLVIII. Dimethylphosphano derivatives of bis(benzene) chromium as monodentate and chelating ligands at μ-ethylidyne-nona(carbonyl)-tri(cobalt). Synthesis via ETC-autocatalysis, crystal structure determination and redox behavior of [(Me~2~P-η^6^-C~6~H~5~)(η^6^-C~6~H~6~)Cr[(μ-MeC)Co~3~(CO)~8~], [(Me~2~P-η^6^-C~6~H~5~)~2~Cr][(μ-MeC) Co~3~(CO)~8~]~2~ and [(Me~2~P-η^6^-C~6~H~5~)~2~Cr][μ,-MeC)Co~3~(CO)~7~]","Journal of Organometallic Chemistry","1995","501","1-2","129","144","10.1016/0022-328x(95)05617-x","","","","","","","","","","","","","","","","","","","","","has coordinates","178083","2020-10-21","18:00:00",""
"1100412","13.057","0.001","13.057","0.001","13.057","0.001","90","","90","","90","","2226.03","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C12 H36 In N Sn3 -","- C12 H36 In N Sn3 -","- C48 H144 In4 N4 Sn12 -","4","0.333333","","Hillwig, Ralf; Harms, Klaus; Dehnicke, Kurt","Zur Chemie des Tris(trimethylstannyl) amins. Die Kristallstrukturen von [Me~3~In‒N(SnMe~3~)~3~] and [RClln‒N(SnMe~3~)~2~]~2~ mit R=Methyl und Ethyl","Journal of Organometallic Chemistry","1995","501","1-2","327","332","10.1016/0022-328x(95)05706-u","","","","","","","","","","","","","","","","","","","","","has coordinates","178082","2020-10-21","18:00:00",""
"1100413","10.104","0.002","9.769","0.002","15.603","0.004","90","","94.28","0.02","90","","1535.81","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H42 Cl2 In2 N2 Sn4 -","- C28 H84 Cl4 In4 N4 Sn8 -","- C56 H168 Cl8 In8 N8 Sn16 -","2","0.5","","Hillwig, Ralf; Harms, Klaus; Dehnicke, Kurt","Zur Chemie des Tris(trimethylstannyl) amins. Die Kristallstrukturen von [Me~3~In‒N(SnMe~3~)~3~] and [RClln‒N(SnMe~3~)~2~]~2~ mit R=Methyl und Ethyl","Journal of Organometallic Chemistry","1995","501","1-2","327","332","10.1016/0022-328x(95)05706-u","","","","","","","","","","","","","","","","","","","","","has coordinates","178082","2020-10-21","18:00:00",""
"1100414","11.262","0.001","9.931","0.002","14.603","0.001","90","","94.71","0.01","90","","1627.73","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H46 Cl2 In2 N2 Sn4 -","- C32 H92 Cl4 In4 N4 Sn8 -","- C64 H184 Cl8 In8 N8 Sn16 -","2","0.5","","Hillwig, Ralf; Harms, Klaus; Dehnicke, Kurt","Zur Chemie des Tris(trimethylstannyl) amins. Die Kristallstrukturen von [Me~3~In‒N(SnMe~3~)~3~] and [RClln‒N(SnMe~3~)~2~]~2~ mit R=Methyl und Ethyl","Journal of Organometallic Chemistry","1995","501","1-2","327","332","10.1016/0022-328x(95)05706-u","","","","","","","","","","","","","","","","","","","","","has coordinates","178082","2020-10-21","18:00:00",""
"1100415","16.404","0.001","19.308","0.001","7.53","0.001","90","","98","0.01","90","","2361.75","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 V Zr -","- C60 H72 V Zr -","- C240 H288 V4 Zr4 -","4","0.5","","Elschenbroich, Christoph; Schmidt, Eckhardt; Metz, Bernhard; Harms, Klaus","Metal π complexes of benzene derivatives. 47. Zircona[1]metallocyclophanes: synthesis, properties, and structure of (tBu-η^5^-C~5~H~4~)~2~Zr(η^1^-1,η^1^-1')(η^6^-C~6~H~5~)~2~V and its chromium analog","Organometallics","1995","14","9","4043","4045","10.1021/om00009a005","","","","","","","","","","","","","","","","","","","","","has coordinates","177958","2020-10-21","18:00:00",""
"1100418","12.78","0.004","13.9","0.003","16.427","0.005","90","","90","","90","","2918.13","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 Cl2 O6 P2 Sn -","- C23 H36 Cl2 O7 P2 Sn2 -","- C92 H144 Cl8 O28 P8 Sn8 -","4","1","","Grigoriev, E. V.; Yashina, N. S.; Prischenko, A. A.; Livantsov, M. V.; Petrosyan, V. S.; Massa, W.; Harms, K.; Wocadlo, S.; Pellerito, L.","Organotin(IV) complexes with tetraethyl ethylene- and propylene-diphosphonates","Applied Organometallic Chemistry","1995","9","1","11","22","10.1002/aoc.590090104","","","","","","","","","","","","","","","","","","","","","has coordinates","177942","2020-10-21","18:00:00",""
"1101126","10.679","0.002","5.814","0.001","13.794","0.003","90","","97.31","0.03","90","","849.5","0.4","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N5 O3 -","- C6 H9 N5 O3 -","- C24 H36 N20 O12 -","4","1","","M. Purificación Sánchez; M. Angustias Romero; Juan M. Salas; Diego J. Cárdenas; José Molina; Miguel Quirós","Molecular orbital study of 8-azaxanthine derivatives and crystal structure of 1,3-dimethyl-8-azaxanthine monohydrate","Journal of Molecular Structure","1995","344","","257","264","10.1016/0022-2860(94)08436-L","","","","","","","0.081","","","0.035","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:52",""
"1101133","8.148","0.003","9.104","0.002","11.854","0.003","105.37","0.01","95.31","0.02","115.17","0.01","745.8","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H38 N8 Ni O18 -","- C18 H38 N8 Ni O18 -","- C18 H38 N8 Ni O18 -","1","0.5","","Juan M. Salas; Miguel Quirós; M. Angustias Romero; M. Purificación Sánchez; Miguel A. Salas; Rosario Vilaplana","Metal complexes of theophylline-7-acetic acid. Crystal structure of a nickel(II) compound containing non-coordinated theophylline-7-acetate ion","Polyhedron","1995","14","","611","616","10.1016/0277-5387(94)00279-N","","","","","","","0.045","","","0.042","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"1508992","7.645","","15.04","","7.881","","90","","90","","90","","906.164","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Neodymium argentide silicide (5/0.5/3.5)","","- Ag0.5 Nd5 Si3.5 -","- Ag0.5 Nd5 Si3.5 -","- Ag2 Nd20 Si14 -","4","0.5","","Zaplatynsky, O.V.; Stepen'-Damm, Yu.; Salamakha, P.S.; Prots', Yu.M.; Bodak, O.I.","Crystal structure of the compound Nd5 Ag0.5 Si3.5","Journal of Alloys Compd.","1995","221","","91","93","10.1016/0925-8388(94)01379-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509108","4.142","","4.142","","8.654","","90","","90","","90","","148.469","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Barium copper silver phosphide (1/5.6/0.4/2)","","- Ag0.39 Ba Cu5.61 P2 -","- Ag0.39 Ba Cu5.61 P2 -","- Ag0.39 Ba Cu5.61 P2 -","1","0.0625","","Duenner, J.; Mewis, A.","Ba Cu6 P2 and Ba Cu6 As2 - two compounds with a periodic intergrowth of Th Cr2 Si2 and Cu structure-type segments","Journal of Alloys Compd.","1995","221","","65","69","10.1016/0925-8388(94)01431-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509191","4.3641","","4.3641","","10.722","","90","","90","","90","","204.204","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Ce Ag Sb2","","- Ag Ce Sb2 -","- Ag Ce Sb2 -","- Ag2 Ce2 Sb4 -","2","0.125","","Noel, H.; Bodak, O.I.; Rogl, P.; Sologub, O.L.; Leithe-Jasper, A.","Ternary compounds RE Ag Sb2, RE=Y, La, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm: magnetism and crystal structure","Journal of Solid State Chemistry","1995","115","","441","446","10.1006/jssc.1995.1157","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509223","16.154","","11.108","","10.914","","90","","90","","90","","1958.39","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba Sc3 Ag S6","","- Ag Ba S6 Sc3 -","- Ag Ba S6 Sc3 -","- Ag8 Ba8 S48 Sc24 -","8","1","","Ibers, J.A.; Wu, P.; Cody, J.A.; Pell, M.A.","Synthesis and structure of Ba Sc3 Ag S6","Journal of Alloys Compd.","1995","224","","199","202","10.1016/0925-8388(95)01556-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509314","12.8284","","5.2815","","5.282","","90","","90","","90","","357.872","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Ag Eu (Ti O4)","","- Ag Eu O4 Ti -","- Ag Eu O4 Ti -","- Ag4 Eu4 O16 Ti4 -","4","0.5","","Sato, M.; Kurita, S.; Toda, K.","Synthesis and ionic conductivity of novel layered perovskite compound, Ag La Ti O4 and Ag Eu Ti O4","Solid State Ionics","1995","81","","267","271","10.1016/0167-2738(95)00184-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509434","3.7472","","3.7472","","13.2755","","90","","90","","90","","186.408","","","","","","","","","","","","","4","P 4/n m m :1","P 4ab 2ab -1ab","129","","Ag La (Ti O4)","","- Ag La O4 Ti -","- Ag La O4 Ti -","- Ag2 La2 O8 Ti2 -","2","0.125","","Toda, K.; Kurita, S.; Sato, M.","Synthesis and ionic conductivity of novel layered perovskite compound, Ag La Ti O4 and Ag Eu Ti O4","Solid State Ionics","1995","81","","267","271","10.1016/0167-2738(95)00184-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509661","8.732","","8.732","","7.425","","90","","90","","90","","566.14","","","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","K2 Ag2 Sn Te4","","- Ag2 K2 Sn Te4 -","- Ag2 K2 Sn Te4 -","- Ag4 K4 Sn2 Te8 -","2","0.125","","Sironi, A.; Li, J.; Guo, H.-Y.; Proserpio, D.M.","Exploring tellurides: synthesis and characterization of new binary,ternary and quaternary compounds","Journal of Solid State Chemistry","1995","117","","247","255","10.1006/jssc.1995.1270","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509701","6.9732","","5.4967","","5.4199","","90","","89.562","","90","","207.736","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Ag2 Zn (Si O4)","","- Ag2 O4 Si Zn -","- Ag2 O4 Si Zn -","- Ag4 O8 Si2 Zn2 -","2","1","","Hoerlin, T.; Vaivars, G.; Grins, J.","Synthesis, structure and conductivity of Ag2 Zn Si O4, Ag2 Zn Ge O4 and Ag2 Be Si O4","Solid State Ionics","1995","78","","259","267","10.1016/0167-2738(95)00000-V","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509810","7.1254","","5.609","","5.4997","","90","","89.754","","90","","219.801","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Ag2 Zn (Ge O4)","","- Ag2 Ge O4 Zn -","- Ag2 Ge O4 Zn -","- Ag4 Ge2 O8 Zn2 -","2","1","","Hoerlin, T.; Grins, J.; Vaivars, G.","Synthesis, structure and conductivity of Ag2 Zn Si O4, Ag2 Zn Ge O4 and Ag2 Be Si O4","Solid State Ionics","1995","78","","259","267","10.1016/0167-2738(95)00000-V","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509813","11.4579","","6.6275","","12.7739","","90","","90","","90","","970.015","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Ag2 (Hf S3)","","- Ag2 Hf S3 -","- Ag2 Hf S3 -","- Ag16 Hf8 S24 -","8","","","Sato, A.; Wada, H.; Amiel, O.","Crystal structures and ionic conductivities of new silver hafnium sulfides","Journal of Alloys Compd.","1995","219","","55","58","10.1016/0925-8388(94)05054-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509852","10.8013","","10.8013","","10.8013","","90","","90","","90","","1260.17","","","","","","","","","","","","","3","P 41 3 2","P 4bd 2ab 3","213","","Ag3.84 Sn3 S8","","- Ag3.84 S8 Sn3 -","- Ag3.8404 S8 Sn3 -","- Ag15.3616 S32 Sn12 -","4","0.166667","","Amiel, O.; Wada, H.; Frankel, D.C.","Crystal structure and conductivity of the new superionic conductors Ag4 Zr3 S8 and Ag3.8 Sn3 S8","Journal of Solid State Chemistry","1995","116","","409","421","10.1006/jssc.1995.1234","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509875","10.9051","","10.9051","","10.9051","","90","","90","","90","","1296.85","","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","","","- Ag4 Hf3 S8 -","- Ag4.0004 Hf3 S8 -","- Ag16.0016 Hf12 S32 -","4","0.166667","","Amiel, O.; Wada, H.","Crystal structure and conductivity of the new superionic conductor Ag4 Hf3 S8","Journal of Solid State Chemistry","1995","115","","112","119","10.1006/jssc.1995.1109","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509891","10.9427","","10.9427","","10.9427","","90","","90","","90","","1310.31","","","","","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","Ag4.021 Zr3 S8","","- Ag4.021 S8 Zr3 -","- Ag4.0214 S8 Zr3 -","- Ag16.0856 S32 Zr12 -","4","0.166667","","Amiel, O.; Wada, H.; Frankel, D.C.","Crystal structure and conductivity of the new superionic conductors Ag4 Zr3 S8 and Ag3.8 Sn3 S8","Journal of Solid State Chemistry","1995","116","","409","421","10.1006/jssc.1995.1234","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509919","14.672","","14.672","","4.601","","90","","90","","90","","990.446","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Cs Ag5 Te3","","- Ag5 Cs Te3 -","- Ag5 Cs Te3 -","- Ag20 Cs4 Te12 -","4","0.25","","Kanatzidis, M.G.; Zhang, X.; Li, J.; Guo, H.-Y.","Cs Ag5 Te3: a new metal-rich telluride with a unique tunnel structure","Journal of Alloys Compd.","1995","218","","1","4","10.1016/0925-8388(94)01359-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510009","9.142","","9.142","","9.142","","90","","90","","90","","764.053","","","","","","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","Ag3 (Al3 Si3 O12)","","- Ag3 Al3 O12 Si3 -","- Ag3 Al3 O12 Si3 -","- Ag6 Al6 O24 Si6 -","2","0.0833333","","Kempa, P.B.; Wiebcke, M.; Assmann, S.; Felsche, J.; Behrens, P.","The structures of anhydrous silver sodalite Ag3 (Al3 Si3 O12) at 298, 623, and 723K from Rietveld refinements of X-ray powder diffraction data: mechanism of thermal expansion and of the phase transition at 678K","Journal of Solid State Chemistry","1995","115","","55","65","10.1006/jssc.1995.1101","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510022","8.986","","8.986","","22.605","","90","","90","","120","","1580.77","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Ag3 Sc2 (P O4)3","","- Ag3 O12 P3 Sc2 -","- Ag3.0498 O12 P3 Sc2 -","- Ag18.2988 O72 P18 Sc12 -","6","0.166667","","Tkachev, V.V.; Atovmyan, L.O.","Structure of superionic Ag3 Sc2 (P O4)3 crystals produced from Na3 Sc2 (P O4)3 single crystals by ion exchange","Russian Journal of Coordination Chemistry","1995","21","","562","564","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510109","7.83","","7.83","","7.06","","90","","90","","120","","374.851","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 Au O","","- Au Cs3 O -","- Au Cs3 O -","- Au2 Cs6 O2 -","2","0.0833333","","Jansen, M.; Feldmann, C.","Zur Kenntnis neuer ternaerer Oxide mit anionischem Gold","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","201","206","10.1002/zaac.19956210207","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510209","5.24","","5.24","","5.24","","90","","90","","90","","143.878","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","K3 Au O","","- Au K3 O -","- Au K3 O -","- Au K3 O -","1","0.0208333","","Feldmann, C.; Jansen, M.","Zur Kenntnis neuer ternaerer Oxide mit anionischem Gold","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","201","206","10.1002/zaac.19956210207","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510260","5.501","","5.501","","5.501","","90","","90","","90","","166.466","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Rb3 Au O","","- Au O Rb3 -","- Au O Rb3 -","- Au O Rb3 -","1","0.0208333","","Jansen, M.; Feldmann, C.","Zur Kenntnis neuer ternaerer Oxide mit anionischem Gold","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","201","206","10.1002/zaac.19956210207","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510361","6.4297","","6.4297","","10.251","","90","","90","","90","","423.787","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Ba (Au2 O4)","","- Au2 Ba O4 -","- Au2 Ba O4 -","- Au8 Ba4 O16 -","4","0.25","","Kraemer, G.; Jansen, M.","M Au2 O4 (M=Sr, Ba), die ersten Oxoaurate(III) mit dreidimensional vernetzter anionischer Teilstruktur","Journal of Solid State Chemistry","1995","118","","247","253","10.1006/jssc.1995.1340","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510452","6.1823","","6.1823","","10.1704","","90","","90","","90","","388.721","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Sr (Au2 O4)","","- Au2 O4 Sr -","- Au2 O4 Sr -","- Au8 O16 Sr4 -","4","0.25","","Jansen, M.; Kraemer, G.","M Au2 O4 (M=Sr, Ba), die ersten Oxoaurate(III) mit dreidimensional vernetzter anionischer Teilstruktur","Journal of Solid State Chemistry","1995","118","","247","253","10.1006/jssc.1995.1340","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510461","5.02057","","5.02057","","5.02057","","90","","90","","90","","126.549","","","","","","","","","","","","","2","P n -3 m :1","P 4n 2 3 -1n","224","","","","- Au2 S -","- Au2 S -","- Au4 S2 -","2","0.0416667","","Isonaga, T.; Ishikawa, K.; Wakita, S.; Suzuki, Y.","Structure and electrical properties of Au2 S","Solid State Ionics","1995","79","","60","66","10.1016/0167-2738(95)00030-A","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510586","6.411","","6.411","","27.912","","90","","90","","120","","993.512","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","K4 Au7 Ge2","","- Au7 Ge2 K4 -","- Au7 Ge2 K4 -","- Au21 Ge6 K12 -","3","0.0833333","","Zachwieja, U.","K4 Au7 Ge2: eine Gerueststruktur mit Au7-Doppeltetraedern und Ge2-Hanteln","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","975","978","10.1002/zaac.19956210613","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510644","7.527","","3.988","","9.717","","90","","90","","90","","291.682","","","","","","","","","","","","","4","P m n 21","P 2ac -2","31","","Cs Nb O (B2 O5)","","- B2 Cs Nb O6 -","- B2 Cs Nb O6 -","- B4 Cs2 Nb2 O12 -","2","0.5","","Keszler, D.A.; Akella, A.","Crystal chemistry of noncentrosymmetric alkali-metal Nb and Ta oxide pyroborates","Journal of Solid State Chemistry","1995","120","","74","79","10.1006/jssc.1995.1379","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510645","7.5479","","3.9064","","9.7713","","90","","90","","90","","288.108","","","","","","","","","","","","","4","P m n 21","P 2ac -2","31","","Cs Ta O (B2 O5)","","- B2 Cs O6 Ta -","- B2 Cs O6 Ta -","- B4 Cs2 O12 Ta2 -","2","0.5","","Keszler, D.A.; Akella, A.","Crystal chemistry of noncentrosymmetric alkali-metal Nb and Ta oxide pyroborates","Journal of Solid State Chemistry","1995","120","","74","79","10.1006/jssc.1995.1379","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510646","5.141","","5.141","","17.868","","90","","90","","90","","472.249","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Cs2 (B2 S4)","","- B2 Cs2 S4 -","- B2 Cs2 S4 -","- B4 Cs4 S8 -","2","0.0625","","Puettmann, C.; Krebs, B.; Jansen, C.; Kueper, J.; Hammerschmidt, A.","Cs2 B2 S4 - Ein Salz der dimeren Metathioborsaeure","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1330","1337","10.1002/zaac.19956210810","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510648","7.27","","7.27","","35.737","","90","","90","","90","","1888.8","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Cs2 (B2 S4)","","- B2 Cs2 S4 -","- B2 Cs2 S4 -","- B16 Cs16 S32 -","8","0.25","","Puettmann, C.; Kueper, J.; Krebs, B.; Jansen, C.; Hammerschmidt, A.","Cs2 B2 S4 - Ein Salz der dimeren Metathioborsaeure","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1330","1337","10.1002/zaac.19956210810","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510656","9.636","","5.432","","6.635","","90","","119.38","","90","","302.627","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Ba2 Ca (B O3)2","","- B2 Ba2 Ca O6 -","- B2 Ba2 Ca O6 -","- B4 Ba4 Ca2 O12 -","2","0.25","","Akella, A.; Keszler, D.A.","Crystal structure of the borate Ba2 Ca (B O3)2","Main Group Met. Chem.","1995","18","","35","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510685","5.343","","5.343","","16.52","","90","","90","","120","","408.424","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ba2 Mg (B O3)2","","- B2 Ba2 Mg O6 -","- B2 Ba2 Mg O6 -","- B6 Ba6 Mg3 O18 -","3","0.0833333","","Akella, A.; Keszler, D.A.","Structure and Eu2+ luminescence of dibarium magnesium orthoborate","Materials Research Bulletin","1995","30","","105","111","10.1016/0025-5408(94)00113-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510740","4.683","","4.683","","15.311","","90","","90","","120","","290.792","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Sr2 (Be2 B2 O7)","","- B2 Be2 O7 Sr2 -","- B2 Be2 O7 Sr2 -","- B4 Be4 O14 Sr4 -","2","0.166667","","Wu, K.-C.; Zeng, W.-I.; Chen, C.-T.; Wu, B.-C.; Yu, L.-H.; Wang, Y.-B.","Design and synthesis of an ultraviolet-transparent nonlinear optical crystal Sr2 Be2 B2 O7","Nature (London)","1995","373","","322","324","10.1038/373322a0","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510742","3.72512","","3.72512","","20.5172","","90","","90","","90","","284.707","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","La3 Ni2 B2 N2.91","","- B2 La3 N2.91 Ni2 -","- B2 La3 N2.91 Ni2 -","- B4 La6 N5.82 Ni4 -","2","0.0625","","Krajewski, J.J.; Chakoumakos, B.C.; Peck, W.F.jr.; Santoro, A.; Cava, R.J.; Huang, Q.","Neutron powder diffraction study of the 12K superconductor La3 Ni2 B2 N(3-x)","Physica C (Amsterdam)","1995","244","","101","105","10.1016/0921-4534(95)00041-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510745","15.864","","6.433","","6.862","","90","","90","","90","","700.288","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Li2 (B2 S5)","","- B2 Li2 S5 -","- B2 Li2 S5 -","- B8 Li8 S20 -","4","0.25","","Jansen, C.; Krebs, B.; Kueper, J.","Na2 B2 S5 and Li2 B2 S5: Two novel perthioborates with planar 1,2,4-trithia-3,5-diborolane rings","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1322","1329","10.1002/zaac.19956210809","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510771","12.545","","7.441","","8.271","","90","","90","","90","","772.076","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na2 (B2 S5)","","- B2 Na2 S5 -","- B2 Na2 S5 -","- B8 Na8 S20 -","4","0.5","","Krebs, B.; Jansen, C.; Kueper, J.","Na2 B2 S5 and Li2 B2 S5: Two novel perthioborates with planar 1,2,4-trithia-3,5-diborolane rings","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1322","1329","10.1002/zaac.19956210809","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510794","2.879","","2.879","","7.052","","90","","90","","120","","50.62","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- B2 O -","- B2 O -","- B4 O2 -","2","0.166667","","Sankey, O.F.; McMillan, P.F.; Grumbach, M.P.","Properties of B2 O: an unsymmetrical analog of carbon","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1995","52","","15807","15811","10.1103/PhysRevB.52.15807","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510870","15.116","","8.824","","8.179","","90","","117.46","","90","","968.031","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Li Ba B3 S6","","- B3 Ba Li S6 -","- B3 Ba Li S6 -","- B12 Ba4 Li4 S24 -","4","1","","Krebs, B.; Hiltmann, F.","Li Ba B S3 und Li Ba B3 S6: zwei neue quaternaere thioborate mit trigonal-planar koordiniertem Bor","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","424","430","10.1002/zaac.19956210315","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510939","3.1086","","18.5817","","3.0114","","90","","90","","90","","173.948","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","(V0.825 Nb0.175)2 B3","","- B3 Nb0.35 V1.65 -","- B3 Nb0.35 V1.65 -","- B12 Nb1.4 V6.6 -","4","0.25","","Lundstroem, T.; Yu, Y.","Synthesis and structure characteristics of the new ternary boride (V1-x Nbx)2 B3","Journal of Alloys Compd.","1995","229","","243","247","10.1016/0925-8388(95)01907-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510956","3.0599","","18.429","","2.9839","","90","","90","","90","","168.265","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","V2 B3","","- B3 V2 -","- B3 V2 -","- B12 V8 -","4","0.25","","Tergenius, L.E.; Lundstroem, T.; Okada, S.; Yu, Y.","A structural investigation of V2 B3 by single-crystal diffractometry","Journal of Alloys Compd.","1995","221","","86","90","10.1016/0925-8388(94)01387-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511085","3.108","","12.0026","","9.459","","90","","96.66","","90","","350.478","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cu2 Fe (B O3) O2","","- B Cu2 Fe O5 -","- B Cu2 Fe O5 -","- B4 Cu8 Fe4 O20 -","4","1","","Schaefer, J.; Bluhm, K.","Zur Kristallstruktur von Cu2 M (B O3) O2 (M= Fe3+, Ga3+)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","571","575","10.1002/zaac.19956210414","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511086","3.1146","","11.921","","9.477","","90","","97.91","","90","","348.525","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cu2 Ga (B O3) O2","","- B Cu2 Ga O5 -","- B Cu2 Ga O5 -","- B4 Cu8 Ga4 O20 -","4","1","","Schaefer, J.; Bluhm, K.","Zur Kristallstruktur von Cu2 M (B O3) O2 (M= Fe3+, Ga3+)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","571","575","10.1002/zaac.19956210414","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511163","8.5369","","8.5369","","21.05688","","90","","90","","90","","1534.6","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Ga8 Ir4 B","","- B Ga8 Ir4 -","- B Ga8 Ir4 -","- B8 Ga64 Ir32 -","8","0.25","","Kluenter, W.; Jung, W.","Ga8 Ir4 B - ein Gallium-Iridiumborid mit isolierten, annaehernd quadratisch planaren (Ir4 B)-Gruppen in einer vom (Ca F2)-Typ abgeleiteten Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","197","200","10.1002/zaac.19956210206","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511184","8.509","","8.509","","4.808","","90","","90","","90","","348.114","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Y (Fe3.04 Ti0.52 B0.43) Fe8 Ti0.39","","- B0.43 Fe11.04 Ti0.91 Y -","- B0.4348 Fe11.0448 Ti0.9148 Y -","- B0.8696 Fe22.0896 Ti1.8296 Y2 -","2","0.0625","","Zhang, B.-S.; Du Honglin; Zhang, Z.-D.; Yang, J.-L.; Zhang, D.; Chuang, Y.C.","Neutron diffraction study of the boride Y (Fe11.04 Ti0.52 B0.43) Ti0.39: a new phase of a ThMn12-type intermatallic interstitial compound","Journal of Physics: Condensed Matter","1995","7","","2587","2592","10.1088/0953-8984/7/13/008","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511238","9.2866","","9.5333","","3.2438","","90","","90.757","","90","","287.155","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Mn2 O (B O3)","","- B Mn2 O4 -","- B Mn2 O4 -","- B4 Mn8 O16 -","4","1","","Norrestam, R.; Sjoedin, A.; Kritikos, M.","Manganese(II,III) oxyborate, Mn2 O B O3 : a distorted homometallic warwickite - synthesis, crystal structure, band calculations, and magnetic susceptibility","Journal of Solid State Chemistry","1995","114","","311","316","10.1006/jssc.1995.1049","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511342","9.659","","20.461","","9.831","","90","","96.58","","90","","1930.13","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Si30.72 B1.28 O64","","- B1.28 O64 Si30.72 -","- B1.28 O64 Si30.72 -","- B1.28 O64 Si30.72 -","1","0.125","","Marler, B.; Vortmann, S.; Daniels, P.; Gies, H.","Synthesis and crystal structure of the new borosilicate zeolite RUB-13","Microporous Materials","1995","4","","111","121","10.1016/0927-6513(94)00090-I","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511399","10.9654","","10.9654","","24.0495","","90","","90","","120","","2504.3","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Li B12.93","","- B12.93 Li -","- B12.93 Li -","- B310.32 Li24 -","24","0.666667","","Higashi, I.; Kobayashi, M.; Kimura, K.; Matsuda, H.","Rietveld analysis of Li B13 with beta-rhombohedral boron structure","Journal of Alloys Compd.","1995","221","","120","124","10.1016/0925-8388(94)01438-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511441","7.577","","8.713","","8.687","","90","","116.22","","90","","514.491","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Li Ba (B S3)","","- B Ba Li S3 -","- B Ba Li S3 -","- B4 Ba4 Li4 S12 -","4","1","","Hiltmann, F.; Krebs, B.","Li Ba B S3 und Li Ba B3 S6: zwei neue quaternaere thioborate mit trigonal-planar koordiniertem Bor","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","424","430","10.1002/zaac.19956210315","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511541","6.294","","8.406","","12.733","","90","","90","","90","","673.669","","","","","","","","","","","","","4","I b a 2","I 2 -2c","45","","Cu Tb (B5 O10)","","- B5 Cu O10 Tb -","- B5 Cu O10 Tb -","- B20 Cu4 O40 Tb4 -","4","0.5","","Schaefer, J.; Bluhm, K.","Cu Tb (B5 O10): Das erste ""Metaborat"" mit einem 1-infinite (B5 O10)5- - Anion","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","567","570","10.1002/zaac.19956210413","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511544","8.514","","7.554","","9.4429","","90","","93.81","","90","","605.976","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ni Gd (B O2)5","","- B5 Gd Ni O10 -","- B5 Gd Ni O10 -","- B20 Gd4 Ni4 O40 -","4","1","","Cascales, C.; Rasines, I.; Monge, M.A.; Gutierrez-Puebla, E.; Ruiz-Valero, C.; Mira, J.; Campa, J.A.; Rivas, J.","Crystal structure and magnetic properties of Co R (B O2)5 (R= Y, Gd) and Ni R (B O2)5 (R= Nd, Gd)","Journal of Alloys Compd.","1995","225","","225","229","10.1016/0925-8388(94)07071-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511553","8.617","","7.565","","9.472","","90","","93.46","","90","","616.331","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ni Nd (B O2)5","","- B5 Nd Ni O10 -","- B5 Nd Ni O10 -","- B20 Nd4 Ni4 O40 -","4","1","","Mira, J.; Ruiz-Valero, C.; Rasines, I.; Campa, J.A.; Rivas, J.; Monge, M.A.; Cascales, C.; Gutierrez-Puebla, E.","Crystal structure and magnetic properties of Co R (B O2)5 (R= Y, Gd) and Ni R (B O2)5 (R= Nd, Gd)","Journal of Alloys Compd.","1995","225","","225","229","10.1016/0925-8388(94)07071-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511564","4.1479","","4.1479","","4.1479","","90","","90","","90","","71.365","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Yb B5.862","","- B5.862 Yb -","- B5.862 Yb -","- B5.862 Yb -","1","0.0208333","","Merisalo, M.J.; Korsukova, M.M.; Blomberg, M.K.; Gurin, V.N.","Single-crystal X-ray diffraction study of Nd B6, Eu B6 and Yb B6","Journal of Alloys Compd.","1995","217","","123","127","10.1016/0925-8388(94)01313-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511653","12.31","","12.31","","12.31","","90","","90","","90","","1865.41","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Mn3 (Br B7 O13)","","- B7 Br Mn3 O13 -","- B7 Br Mn3 O13 -","- B56 Br8 Mn24 O104 -","8","0.0833333","","Crottaz, O.; Schmid, H.; Kubel, F.","High temperature single crystal X-ray diffraction: structure of cubic manganese iodine and manganese bromine boracites","Journal of Solid State Chemistry","1995","120","","60","63","10.1006/jssc.1995.1376","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511675","11.014","","3.1","","12.84","","90","","90","","90","","438.401","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ho Mo3 B7","","- B7 Ho Mo3 -","- B7 Ho Mo3 -","- B28 Ho4 Mo12 -","4","0.5","","Kuz'ma, Yu.B.; Chaban, N.F.; Mikhalenko, S.I.","New borides Ln Mo3 B7 (Ln-Tb, Dy, Ho, Er, Tm) with the Y Mo3 B7 structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1995","31","","1414","1417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511677","12.3404","","12.3404","","12.3404","","90","","90","","90","","1879.26","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Mn3 (I B7 O13)","","- B7 I Mn3 O13 -","- B7 I Mn3 O13 -","- B56 I8 Mn24 O104 -","8","0.0833333","","Crottaz, O.; Kubel, F.; Schmid, H.","High temperature single crystal X-ray diffraction: structure of cubic manganese iodine and manganese bromine boracites","Journal of Solid State Chemistry","1995","120","","60","63","10.1006/jssc.1995.1376","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511683","11.012","","3.1013","","12.864","","90","","90","","90","","439.325","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Y Mo3 B7","","- B7 Mo3 Y -","- B7 Mo3 Y -","- B28 Mo12 Y4 -","4","0.5","","Hartl, G.; Mikhalenko, S.I.; Babizhet'sky, V.S.; Kuz'ma, Yu.B.","New boride Y Mo3 B7 and its structure","Kristallografiya","1995","40","","465","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511724","3.07","","13.193","","2.984","","90","","90","","90","","120.859","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","(Cr0.8 W0.2)3 B4","","- B4 Cr2.4 W0.6 -","- B4 Cr2.4 W0.6 -","- B8 Cr4.8 W1.2 -","2","0.125","","Yu, Y.; Lundstroem, T.","Synthesis and structure investigation of the new ternary boride (Cr0.80 W0.20)3 B4 and its analogues (Cr1-x TMx)3 B4 with TM = Mo or Ta","Journal of Alloys Compd.","1995","228","","122","126","10.1016/0925-8388(95)01896-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511766","18.571","0.003","7.464","0.001","14.617","0.003","90","","90","","90","","2026.1","0.6","292","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H24 Cl2 N2 O12 Ru -","- C11 H24 Cl2 N2 O12 Ru -","- C44 H96 Cl8 N8 O48 Ru4 -","4","1","","Rosario Vilaplana; M. Angustias Romero; Miguel Quirós; Juan M. Salas; Francisco González-Vílchez","Synthesis, Structure and Antitumour Properties of a New 1,2-Propilenediaminetetraacetate-Ruthenium(III) Compound","Metal Based Drugs","1995","2","","211","219","10.1155/MBD.1995.211","","","0.71073","MoKα","","0.044","0.033","","","","0.033","","","","","","1.02","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511772","5.1295","0.0004","9.6009","0.0007","10.332","0.002","103.73","0.01","99.14","0.01","97.67","0.01","480.18","0.11","298","2","298","","","","","","","","","5","P -1","-P 1","2","","bis((μ~2~-5,7-Dimethyl(1,2,4)triazolo(1,5-a)pyrimidine)-silver(i)) dinitrate","","- C14 H16 Ag2 N10 O6 -","- C14 H16 Ag2 N10 O6 -","- C14 H16 Ag2 N10 O6 -","1","0.5","","M. Angustias Romero; Juan M. Salas; Miguel Quirós; M. Purificación Sánchez; José Molina; Jaouad El Bahraoui; René Faure","Structural and ab initio Studies of Ag-Ag Bonding in the Silver(I) Dimer Bis-μ-(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidine)dinitrato Disilver(I)","Journal of Molecular Structure","1995","354","","189","195","10.1016/0022-2860(95)08891-X","","","0.71073","MoKα","","","0.029","","","","0.032","","","","","","0.53","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513978","8.1616","0.0005","8.1616","0.0005","8.1616","0.0005","90","","90","","90","","543.66","0.06","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium Manganese Oxide (5.3/6.7/16)","","- Li5.28 Mn6.72 O16 -","- Li5.28 Mn6.72 O16 -","- Li10.56 Mn13.44 O32 -","2","0.0104167","","Takada, T.; Hayakawa, H.; Akiba, E.","Preparation and crystal structure refinement of Li4 Mn5 O12 by the Rietveld method","Journal of Solid State Chemistry","1995","115","","420","426","10.1006/jssc.1995.1154","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1517730","12.0819","0.0002","8.6848","0.0001","8.7452","0.0001","90","","90","","90","","917.62","0.02","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Niobium Phosphorus Oxide (1.9/2.8/12)","","- Nb1.91 O12 P2.82 -","- Nb1.91 O12 P2.82 -","- Nb7.64 O48 P11.28 -","4","0.5","","Zah-Letho, J.J.; Verbaere, A.; Jouanneaux, A.; Taulelle, F.; Piffard, Y.; Tournoux, M.","""Nb2-x P3-y O12"", a novel Nb(V) oxophosphate with disordered cation vacancies in a Sc2 (W O4)3 - type structure","Journal of Solid State Chemistry","1995","116","","335","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517731","8.083","0.0004","8.083","0.0004","8.083","0.0004","90","","90","","90","","528.1","0.05","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Niobium Phosphorus Oxide (1/2.02/7)","","- Nb O7 P2.02 -","- Nb O7 P2.02 -","- Nb4 O28 P8.08 -","4","0.166667","","Fukuoka, H.; Imoto, H.; Saito, T.","Preparation of cubic niobium pyrophosphate containing Nb(IV) and topotactic extraction of phosphorus atoms","Journal of Solid State Chemistry","1995","119","","98","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517732","8.0807","0.0004","8.0807","0.0004","8.0807","0.0004","90","","90","","90","","527.65","0.05","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Niobium Phosphorus Oxide (1/1.92/7)","","- Nb O7 P1.92 -","- Nb O7 P1.92 -","- Nb4 O28 P7.68 -","4","0.166667","","Fukuoka, H.; Imoto, H.; Saito, T.","Preparation of cubic niobium pyrophosphate containing Nb(IV) and topotactic extraction of phosphorus atoms","Journal of Solid State Chemistry","1995","119","","98","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517733","8.0705","0.0002","8.0705","0.0002","8.0705","0.0002","90","","90","","90","","525.66","0.02","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Niobium Phosphorus Oxide (1/1.81/7)","","- Nb O7 P1.81 -","- Nb O7 P1.81 -","- Nb4 O28 P7.24 -","4","0.166667","","Fukuoka, H.; Imoto, H.; Saito, T.","Preparation of cubic niobium pyrophosphate containing Nb(IV) and topotactic extraction of phosphorus atoms","Journal of Solid State Chemistry","1995","119","","98","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517734","8.0896","0.0005","8.0896","0.0005","8.0896","0.0005","90","","90","","90","","529.4","0.06","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Niobium Phosphorus Oxide (1/1.8/7)","","- Nb O7 P1.8 -","- Nb O7 P1.8 -","- Nb4 O28 P7.2 -","4","0.166667","","Fukuoka, H.; Imoto, H.; Saito, T.","Preparation of cubic niobium pyrophosphate containing Nb(IV) and topotactic extraction of phosphorus atoms","Journal of Solid State Chemistry","1995","119","","98","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1519152","9.891","0.003","10.667","0.003","22.197","0.006","101.544","0.013","91.41","0.02","99.83","0.02","2256.7","1.1","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H49 B F15 Mo -","- C48 H49 B F15 Mo -","- C96 H98 B2 F30 Mo2 -","2","1","","Green, S. J.; Coles, Simon J.; Malik, K.M. Abdul; Hursthouse, Michael B.","C46H49BF15Mo","Crystal Structure Report Archive","1995","","","1037","","","","","0.71069","MoKα","","0.0791","0.0535","","","0.1381","0.1331","","","","","","0.914","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519153","12.353","0.003","12.392","0.004","18.1099","0.0016","83.286","0.014","82.649","0.014","74.12","0.012","2634.8","1.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H76 Co2 O18 P6 Zr -","- C36 H76 Co2 O18 P6 Zr -","- C72 H152 Co4 O36 P12 Zr2 -","2","1","","Green, Malcolm L.H.; Coles, Simon J.; Hursthouse, Michael B","C36H76Co2O18P6Zr","Crystal Structure Report Archive","1995","","","1203","","","","","0.71069","MoKα","","0.1038","0.057","","","0.1094","0.1201","","","","","","0.749","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1519154","11.732","0.003","16.0425","0.0015","12.2877","0.0013","90","","113.566","0.01","90","","2119.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Fe N2 O4 W -","- C24 H16 Fe N2 O4 W -","- C96 H64 Fe4 N8 O16 W4 -","4","1","","Butler, I. R.; Coles, Simon J.; Hursthouse, Michael B.","C24H16FeN2O4W","Crystal Structure Report Archive","1995","","","755","","","","","0.71069","MoKα","","0.0439","0.0354","","0.0852","0.0833","","","","1.023","1.106","1.106","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519155","12.779","0.003","13.0204","0.0015","12.8041","0.0013","90","","94.119","0.01","90","","2124.9","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Cr Fe N2 O4 -","- C24 H16 Cr Fe N2 O4 -","- C96 H64 Cr4 Fe4 N8 O16 -","4","1","","Butler, Ian. R.; Coles, Simon J.; Hursthouse, Michael B.","C24H16CrFeN2O4","Crystal Structure Report Archive","1995","","","756","","","","","0.71069","MoKα","","0.0475","0.0396","","0.0956","0.0943","","","","1.016","1.11","1.11","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519156","7.6828","0.001","9.495","0.0014","14.642","0.0013","99.18","0.009","93.392","0.005","90.311","0.009","1052.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H29 Br2 Fe2 P -","- C23 H24 Br2 Fe2 P -","- C46 H48 Br4 Fe4 P2 -","2","1","","Butler, Ian. R.; Coles, Simon J.; Hursthouse, Michael B.","C23H23Br2Fe2P","Crystal Structure Report Archive","1995","","","757","","","","","0.71069","MoKα","","0.0799","0.0687","","0.1962","0.1805","","","","1.043","1.131","1.131","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519157","15.946","0.012","12.558","0.008","19.752","0.002","90","","107.573","0.013","90","","3771","4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H43 B10 Cu P2 -","- C36 H43 B10 Cu P2 -","- C144 H172 B40 Cu4 P8 -","4","1","","Leach, J.B.; Coles, Simon J.; Hursthouse, Michael B.","C36H43B10CuP2","Crystal Structure Report Archive","1995","","","758","","","","","0.71069","MoKα","","0.0669","0.0466","","0.1114","","0.1047","","","0.939","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519158","12.839","0.004","12.9785","0.001","12.9803","0.0015","90","","95.693","0.01","90","","2152.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Fe Mo N2 O4 -","- C24 H16 Fe Mo N2 O4 -","- C96 H64 Fe4 Mo4 N8 O16 -","4","1","","Butler, Ian. R.; Hursthouse, Michael B.; Coles, Simon J.","C24H16FeMoN2O4","Crystal Structure Report Archive","1995","","","800","","","","","0.71069","MoKα","","0.0751","0.0409","","0.0872","0.0772","","","","0.76","0.924","0.924","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1524805","4.636","","4.636","","4.636","","90","","90","","90","","99.639","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Zr3 C N","","- C N Zr2 -","- C N Zr2 -","- C2 N2 Zr4 -","2","0.0104167","","Lengauer, W.; Binder, S.; Aigner, K.; Groboth, G.; Guillou, A.; Ettmayer, P.; Debuigne, J.","Solid state properties of group IVb carbonitrides","Journal of Alloys Compd.","1995","217","","137","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534475","3.8378","","3.8378","","11.259","","90","","90","","90","","165.831","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","(Al0.74 Cu0.26) Y Sr2 Cu2 O6.76","","- Al0.74 Cu2.26 O6.76 Sr2 Y -","- Al0.74 Cu2.26 O6.76 Sr2 Y -","- Al0.74 Cu2.26 O6.76 Sr2 Y -","1","0.0625","","Afanas'eva, I.N.; Kuz'micheva, G.M.; Khlybov, E.P.","X-ray proximate method of structure and composition determination of M A' (A"")2 Cu2 O6+delta phases.","Zhurnal Neorganicheskoi Khimii","1995","40","","195","201","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534515","12.321","","10.325","","7.745","","90","","90","","90","","985.275","","","","","","","","","","","","","5","P b n a","-P 2ac 2b","60","","(N H4) Li (Ti F6)","","- F6 H4 Li N Ti -","- F6 H4 Li N Ti -","- F48 H32 Li8 N8 Ti8 -","8","1","","Gerasimenko, A.V.; Antokhina, T.F.; Kavun, V.Ya.; Sergienko, V.I.","Crystal structure and dynamics of complex ions in the N H4 Li Ti F6 compound, based on X-ray diffraction and nuclear magnetic resonance","Zhurnal Neorganicheskoi Khimii","1995","40","","1463","1465","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1534536","8.226","","11.564","","8.523","","90","","93.6","","90","","809.154","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(((N H2) N H) C (N H2) ((N H3) N)) Cu Cl3","","- C H8 Cl3 Cu N5 -","- C H8 Cl3 Cu N5 -","- C4 H32 Cl12 Cu4 N20 -","4","1","","Savel'eva, Z.A.; Larionov, S.V.; Shishkin, O.V.; Romanenko, G.V.; Podberezskaya, N.V.; Struchkov, Yu.T.","Coordinated diaminoguanidinium (1+)-ion in the crystal structure of Cu (C H8 N5) Cl3 complex","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1995","36","","936","941","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534590","5.71","","6.822","","9.341","","90","","90","","90","","363.866","","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","Sr2 Si5 N8","","- N8 Si5 Sr2 -","- N8 Si5 Sr2 -","- N16 Si10 Sr4 -","2","0.5","","Schlieper, T.; Milius, W.; Schnick, W.","Nirido-silicate. II: Hochtemperatur-Synthesen und Kristallstrukturen von Sr2 Si5 N8 und Ba2 Si5 N8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1380","1384","","","","","","","","","","","","","","","","","","","","","","has coordinates","161440","2020-10-21","18:00:00",""
"1534592","5.783","","6.959","","9.391","","90","","90","","90","","377.93","","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","Ba2 Si5 N8","","- Ba2 N8 Si5 -","- Ba2 N8 Si5 -","- Ba4 N16 Si10 -","2","0.5","","Schlieper, T.; Milius, W.; Schnick, W.","Nirido-silicate. II: Hochtemperatur-Synthesen und Kristallstrukturen von Sr2 Si5 N8 und Ba2 Si5 N8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1380","1384","","","","","","","","","","","","","","","","","","","","","","has coordinates","161446","2020-10-21","18:00:00",""
"1534595","10.142","","10.142","","4.844","","90","","90","","90","","498.255","","","","","","","","","","","","","3","P 4 b m","P 4 -2ab","100","","Ce3 (Si6 N11)","","- Ce3 N11 Si6 -","- Ce3 N11 Si6 -","- Ce6 N22 Si12 -","2","0.25","","Schlieper, T.; Schnick, W.","Nitrodisilicate. III : Hochtemperatur-Synthese, Kristallstruktur und magnetische Eigenschaften von Ce3 (Si6 N11)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1535","1538","","","","","","","","","","","","","","","","","","","","","","has coordinates","161451","2020-10-21","18:00:00",""
"1534622","4.81","","7.477","","7.993","","78.91","","86.12","","83.49","","279.966","","","","","","","","","","","","","3","P -1","-P 1","2","","(C F3)2 O3","","- C2 F6 O3 -","- C2 F6 O3 -","- C4 F12 O6 -","2","1","","Gobbato, K.I.; Oberhammer, H.; Klapdor, M.F.; Poll, W.; Willner, H.; Mootz, D.","Bis(trifluormethyl)trioxid: a first structure of a straightchain trioxide","Angewandte Chemie (Edition international)","1995","34","","2244","2245","","","","","","","","","","","","","","","","","","","","","","has coordinates","161499","2020-10-21","18:00:00",""
"1534629","10.425","","10.799","","8.924","","105.98","","96.05","","124.76","","748.424","","","","","","","","","","","","","6","P -1","-P 1","2","","Ca1.07 Mg0.625 Ti0.31 ((Al.55 Si.45)2 O6) (Al (Mg0.386 Ti.585 Al0.03)2 O4)","","- Al2.16 Ca1.07 Mg1.397 O10 Si0.9 Ti1.48 -","- Al2.1625 Ca1.0725 Mg1.3925 O10 Si0.9 Ti1.4725 -","- Al8.65 Ca4.29 Mg5.57 O40 Si3.6 Ti5.89 -","4","2","","Arakcheeva, A.V.","Crystal structure of baikovite mineral","Kristallografiya","1995","40","","245","252","","","","","","","","","","","","","","","","","","","","","","has coordinates","161510","2020-10-21","18:00:00",""
"1534631","11.606","","11.606","","11.702","","90","","90","","90","","1576.25","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Y0.8 Tb0.129 Ba2 (Cu2.725 Tb0.053) Al0.11 O6.4","","- Al0.11 Ba2 Cu2.725 O6.4 Tb0.182 Y0.8 -","- Al0.111111 Ba2 Cu2.72444 O6.38889 Tb0.182222 Y0.8 -","- Al Ba18 Cu24.52 O57.5 Tb1.64 Y7.2 -","9","0.5625","","Arakcheeva, A.V.; Lubman, G.U.; Leonyuk, L.I.; Shamrai, V.F.","Al and Tb ordering in the multiplied by nine cell of the Y0.8 (Tb3+)0.129 Ba2 (Cu2.725 (Tb4+)0.053) Al0.11 O6.4","Kristallografiya","1995","40","","833","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","161514","2020-10-21","18:00:00",""
"1534665","7.087","","9.09","","9.014","","90","","90","","90","","580.689","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","K (H C N2)","","- C H K N2 -","- C H K N2 -","- C8 H8 K8 N16 -","8","2","","Schnick, W.; Huppertz, H.","Darstellung, Kristallstruktur und Eigenschaften von Kaliumhydrogencyanamid","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1703","1707","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534808","8.715","","8.715","","7.086","","90","","90","","120","","466.087","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Sm8 Pt11 Si5","","- Pt11 Si5 Sm8 -","- Pt11.044 Si4.956 Sm8 -","- Pt11.044 Si4.956 Sm8 -","1","0.0833333","","Barakatova, Zh.M.; Aksel'rud, L.G.; Seropegin, Yu.D.; Bodak, O.I.","Crystal structure of Sm8 Pt11 Si5","Kristallografiya","1995","40","","370","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","161816","2020-10-21","18:00:00",""
"1534824","13.914","","8.21","","8.896","","90","","97.61","","90","","1007.28","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Hg2 As Cl2","","- As Cl2 Hg2 -","- As Cl2 Hg2 -","- As8 Cl16 Hg16 -","8","1","","Shevel'kov, A.V.; Dikarev, E.V.; Popovkin, B.A.","Synthesis and crystal structure of mercury pnictide halides Hg2 As Cl2 and Hg19 As10 Br18, containing binuclear anions.","Zhurnal Neorganicheskoi Khimii","1995","40","","1496","1501","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534827","11.255","","11.348","","12.295","","105.73","","105.72","","109.15","","1311.3","","","","","","","","","","","","","3","P -1","-P 1","2","","Hg19 As10 Br18","","- As10 Br18 Hg19 -","- As10 Br18 Hg19 -","- As10 Br18 Hg19 -","1","0.5","","Shevel'kov, A.V.; Dikarev, E.V.; Popovkin, B.A.","Synthesis and crystal structure of mercury pnictide halides Hg2 As Cl2 and Hg19 As10 Br18, containing binuclear anions.","Zhurnal Neorganicheskoi Khimii","1995","40","","1496","1501","","","","","","","","","","","","","","","","","","","","","","has coordinates","161853","2020-10-21","18:00:00",""
"1534849","37.586","","9.451","","2.969","","90","","90","","86.29","","1052.45","","","","","","","","","","","","","4","B 1 1 2/m","-B 2","12","","Na20 Mg2 Ti20 O52","","- Mg2 Na20 O52 Ti20 -","- Mg2.002 Na20 O52 Ti19.998 -","- Mg2.002 Na20 O52 Ti19.998 -","1","0.125","","Shilov, G.V.; Atovmyan, L.O.","Composition and structure of solid electrolyte: sodium-magnesium-titanium ternary oxide.","Kristallografiya","1995","40","","824","828","","","","","","","","","","","","","","","","","","","","","","has coordinates","209184","2020-10-21","18:00:00",""
"1534877","10.844","","3.73","","20.3609","","90","","90","","90","","823.56","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Gd4 C2 Br3","","- C2 Br3 Gd4 -","- C2 Br3 Gd4 -","- C8 Br12 Gd16 -","4","0.5","","Bauhofer, C.; Mattausch, H.J.; Kremer, R.K.; Simon, A.","Die Gadoliniumcarbidhalogenide Gd4 C2 X3 (X= Cl, Br)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1501","1507","","","","","","","","","","","","","","","","","","","","","","has coordinates","161927","2020-10-21","18:00:00",""
"1534915","6.776","","6.833","","7.88","","73.93","","75.71","","84.74","","339.636","","","","","","","","","","","","","3","P -1","-P 1","2","","Te4 (Hf Cl6)","","- Cl6 Hf Te4 -","- Cl6 Hf Te4 -","- Cl6 Hf Te4 -","1","0.5","","Beck, J.; Schlitt, K.J.","Chalkogen polycations with mononuclear divalent anions from chalkogen subhalides and tetrachlorides of Zr and Hf: synthesis and crystal structures of Se4 (M Cl6) (M= Zr, Hf) and Te4 (Hf Cl6)","Chemische Berichte","1995","128","","763","766","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534918","10.896","","10.896","","10.41","","90","","90","","90","","1235.91","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Se4 (Zr Cl6)","","- Cl6 Se4 Zr -","- Cl6 Se4 Zr -","- Cl24 Se16 Zr4 -","4","0.25","","Beck, J.; Schlitt, K.J.","Chalkogen polycations with mononuclear divalent anions from chalkogen subhalides and tetrachlorides of Zr and Hf: synthesis and crystal structures of Se4 (M Cl6) (M= Zr, Hf) and Te4 (Hf Cl6)","Chemische Berichte","1995","128","","763","766","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534922","10.884","","10.884","","10.409","","90","","90","","90","","1233.06","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Se4 (Hf Cl6)","","- Cl6 Hf Se4 -","- Cl6 Hf Se4 -","- Cl24 Hf4 Se16 -","4","0.25","","Beck, J.; Schlitt, K.J.","Chalkogen polycations with mononuclear divalent anions from chalkogen subhalides and tetrachlorides of Zr and Hf: synthesis and crystal structures of Se4 (M Cl6) (M= Zr, Hf) and Te4 (Hf Cl6)","Chemische Berichte","1995","128","","763","766","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534938","9.605","","10.183","","14.393","","90","","90","","90","","1407.75","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","Cs2 (B12 H11 (S C N))","","- C H11 B12 Cs2 N S -","- C H11 B12 Cs2 N S -","- C4 H44 B48 Cs8 N4 S4 -","4","1","","Sivaev, I.B.; Katser, S.B.; Solntsev, K.A.; Kuznetsov, N.T.","Some features of (B12 H11 S C N)2- anion. Crystal structure of cesium (thiocyanato)undecahydro(Ih-(1551)-delta20-closo)-dodeca borate Cs2 (B12 H11 S C N)","Zhurnal Neorganicheskoi Khimii","1995","40","","807","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534966","7.3187","","7.3084","","15.655","","90","","102.01","","90","","819.026","","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","(Te I3) (Al I4)","","- Al I7 Te -","- Al I7 Te -","- Al2 I14 Te2 -","2","1","","Beck, J.; Fischer, A.","Se Br3 (Al Br4) und Te I3 (Al I4) - zwei weitere Vertreter des S Cl3 (Al Cl4)-Strukturtyps","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1042","1046","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534969","6.707","","6.639","","14.28","","90","","101.21","","90","","623.725","","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","(Se Br3) (Al Br4)","","- Al Br7 Se -","- Al Br7 Se -","- Al2 Br14 Se2 -","2","1","","Beck, J.; Fischer, A.","Se Br3 (Al Br4) und Te I3 (Al I4) - zwei weitere Vertreter des S Cl3 (Al Cl4)-Strukturtyps","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1042","1046","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534973","7.7596","","7.4886","","23.957","","90","","90.76","","90","","1391.98","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Li3 (Er (N O3)5) (N O3)","","- Er Li3 N6 O18 -","- Er Li3 N6 O18 -","- Er4 Li12 N24 O72 -","4","1","","Manek, E.; Meyer, G.","Ternaere Lithium-Selten-Erd-Nitrate mit einsamen Nitrationen Li3 (M (N O3)5) (N O3) (M= Gd-Lu, Y). Die Kristallstruktur von Er Li3 (N O3)6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1903","1906","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535071","8.602","","3.829","","10.22","","90","","112.53","","90","","310.926","","","","","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","Ce6 B2 C3 Br3","","- C3 B2 Br3 Ce6 -","- C3 B2 Br3 Ce6 -","- C3 B2 Br3 Ce6 -","1","0.25","","Mattausch, H.J.; Simon, A.","Rare earth metal boride carbide bromides. A system of building blocks","Angewandte Chemie (Edition international)","1995","34","","1633","1635","","","","","","","","","","","","","","","","","","","","","","has coordinates","162253","2020-10-21","18:00:00",""
"1535073","9.547","","3.693","","12.445","","90","","106.68","","90","","420.312","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Gd8 B2 C4 Br6","","- C4 B2 Br6 Gd8 -","- C4 B2 Br6 Gd8 -","- C4 B2 Br6 Gd8 -","1","0.25","","Mattausch, H.J.; Simon, A.","Rare earth metal boride carbide bromides. A system of building blocks","Angewandte Chemie (Edition international)","1995","34","","1633","1635","","","","","","","","","","","","","","","","","","","","","","has coordinates","162257","2020-10-21","18:00:00",""
"1535076","15.323","","3.973","","11.567","","90","","90","","90","","704.179","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La3 B C2 Br2","","- C2 B Br2 La3 -","- C2 B Br2 La3 -","- C8 B4 Br8 La12 -","4","0.5","","Mattausch, H.J.; Simon, A.","Rare earth metal boride carbide bromides. A system of building blocks","Angewandte Chemie (Edition international)","1995","34","","1633","1635","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535087","12.7633","","6.3992","","10.4988","","90","","90","","90","","857.489","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","K (Ge0.063 Ti0.937 O) (P O4)","","- Ge0.063 K O5 P Ti0.937 -","- Ge0.0635 K O5 P Ti0.9365 -","- Ge0.508 K8 O40 P8 Ti7.492 -","8","2","","Sorokina, N.I.; Simonov, V.I.; Voronkova, V.I.; Verin, I.A.; Yanovskii, V.K.","Crystal structure and electrophysical characteristics of K Ge0.06 Ti0.94 O P O4 single crystals","Kristallografiya","1995","40","","688","691","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535136","5.7","","11.808","","12.555","","104.23","","93.06","","67.26","","754.605","","","","","","","","","","","","","3","P -1","-P 1","2","","(C Cl3)2 S7","","- C2 Cl6 S7 -","- C2 Cl6 S7 -","- C4 Cl12 S14 -","2","1","","Steudel, R.; Pridoehl, M.; Buschmann, J.; Luger, P.","Sulfur compounds. 187. Synthesis of bis(trichloromethyl) tetra- and -heptasulfane from titanocene polysulfide complexes and structure of (C Cl3)2 S7","Chemische Berichte","1995","128","","725","728","","","","","","","","","","","","","","","","","","","","","","has coordinates","162338","2020-10-21","18:00:00",""
"1535222","14.294","","7.304","","10.677","","90","","90","","90","","1114.71","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","K2 (Os (C O) Br5)","","- C Br5 K2 O Os -","- C Br5 K2 O Os -","- C4 Br20 K8 O4 Os4 -","4","1","","Berngardt, E.A.; Buslaev, Yu.A.; Gorbunova, Yu.E.; Mikhailov, Yu.N.; Kanishcheva, A.S.; Sinitsyn, N.M.","Synthesis and crystal structure of potassium monocarbonylpentabromoosmate K2 (Os C O Br5)","Zhurnal Neorganicheskoi Khimii","1995","40","","92","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535301","7.4332","","7.4332","","19.721","","90","","90","","120","","943.651","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Na2 (Ti3 Cl8)","","- Cl8 Na2 Ti3 -","- Cl8 Na2 Ti3 -","- Cl24 Na6 Ti9 -","3","0.0833333","","Hinz, D.J.; Meyer, G.; Urland, W.; Dedecke, T.","Natrium-octachlorotrititanat(II), Na2 Ti3 Cl8: Von isolierten (Ti2)+ -Ionen zu (Ti3)6+ -Clustern ?","Angewandte Chemie (Edition international)","1995","34","","71","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","162603","2020-10-21","18:00:00",""
"1535305","6.991","","6.991","","20.311","","90","","90","","120","","859.687","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","Na2 (Ti3 Cl8)","","- Cl8 Na2 Ti3 -","- Cl8 Na2 Ti3 -","- Cl24 Na6 Ti9 -","3","0.166667","","Hinz, D.J.; Dedecke, T.; Meyer, G.; Urland, W.","Natrium-octachlorotrititanat(II), Na2 Ti3 Cl8: Von isolierten (Ti2)+ -Ionen zu (Ti3)6+ -Clustern ?","Angewandte Chemie (Edition international)","1995","34","","71","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","162607","2020-10-21","18:00:00",""
"1535384","7.622","","8.429","","8.564","","90","","99.65","","90","","542.416","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(C F3) (I F4)","","- C F7 I -","- C F7 I -","- C4 F28 I4 -","4","1","","Minkwitz, R.; Broechler, R.; Preut, H.","Fluorieren mit Trifluormethylhypochlorit C F3 O Cl, Darstellung und Kristallstrukturanalyse von Trifluormethyliodtetrafluorid C F3 I F4.","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1247","1250","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535402","24.047","","7.648","","17.599","","90","","132.48","","90","","2387.08","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","(Co (N H3)5 (N O2)) I2","","- Co H15 I2 N6 O2 -","- Co H15 I2 N6 O2 -","- Co8 H120 I16 N48 O16 -","8","1","","Boldyreva, E.V.; Podberezskaya, N.V.","Crystal structure of the monoclinic polymorph of (Co (N H3)5 N O2) I2","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1995","36","","168","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1535411","13.331","","7.541","","35.245","","90","","144.45","","90","","2060.03","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Na4 Ti (P O4)2 O","","- Na4 O9 P2 Ti -","- Na4 O9 P2 Ti -","- Na40 O90 P20 Ti10 -","10","2.5","","Bolotina, N.B.; Maksimov, B.A.; Petricek, V.; Simonov, V.I.","Crystal structure of modulated monoclinic Na4 Ti P2 O9 phase at 293K","Kristallografiya","1995","40","","611","625","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535507","10.603","","7.289","","13.559","","90","","107.37","","90","","1000.12","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","K2 (Zr F2 (S O4)2) (H2 O)2","","- F2 H4 K2 O10 S2 Zr -","- F2 K2 O10 S2 Zr -","- F8 K8 O40 S8 Zr4 -","4","1","","Tkachev, V.V.; Kuznetsov, V.Ya.; Atovmyan, L.O.","Crystal structure of beta-modification of K2 Zr F2 (S O4)2 * (H2 O)2","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1995","21","","335","337","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535526","7.232","","15.115","","20.102","","90","","90","","90","","2197.38","","","","","","","","","","","","","6","P b c 21","P 2c -2b","29","","(Co (O C (N H2)2)6) (S O4) (H2 O)","","- C6 H26 Co N12 O11 S -","- C6 H26 Co N12 O11 S -","- C24 H104 Co4 N48 O44 S4 -","4","1","","Toshev, M.T.; Dustov, H.B.; Radzhabov, Sh.L.; Saidov, S.O.; Davranov, M.D.; Sulaimankulov, K.S.","X-ray structural study of crystal structure of hexa(carbamide)cobalt(II) sulfate monohydrate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1995","21","","132","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1535672","10.072","","10.415","","5.611","","90","","90","","104.34","","570.254","","","","","","","","","","","","","6","P 1 1 21/b","-P 2bc","14","","K2 Na2 (Ti2 F8 (O2)2) (H2 O)2","","- F8 H4 K2 Na2 O6 Ti2 -","- F8 H4 K2 Na2 O6 Ti2 -","- F16 H8 K4 Na4 O12 Ti4 -","2","0.5","","Bukvetskii, B.V.; Chernyshev, B.N; Bakeeva, N.G.; Didenko, N.A.","Crystal structure of the (K, Na)2 Ti2 F8 (O2)2 H2 O peroxoflourotitanate salt","Zhurnal Neorganicheskoi Khimii","1995","40","","1085","1088","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535749","8.994","","8.629","","6.511","","90","","113.39","","90","","463.789","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Cs Mn (H P3 O10)","","- Cs H Mn O10 P3 -","- Cs H Mn O10 P3 -","- Cs2 H2 Mn2 O20 P6 -","2","0.5","","Murashova, E.V.; Chudinova, N.N.","Crystal structure of double triphosphate Cs Mn H P3 O10","Kristallografiya","1995","40","","476","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535813","7.628","","7.628","","7.1585","","90","","90","","90","","416.527","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","K (H2 As O4)","","- As H2 K O4 -","- As H2 K O4 -","- As4 H8 K4 O16 -","4","0.25","","Ilyukhin, A.B.; Katser, S.B.; Levin, A.A.","Structure refinement of two crystals from the KDP family (N D4) D2 P O4 and K H2 As O4 in the paraphase.","Zhurnal Neorganicheskoi Khimii","1995","40","","1599","1600","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535874","8.526","","8.592","","11.82","","84.77","","85.42","","61.26","","755.407","","","","","","","","","","","","","3","P -1","-P 1","2","","(Pr5 (C2)) Cl9","","- C2 Cl9 Pr5 -","- C2 Cl9 Pr5 -","- C4 Cl18 Pr10 -","2","1","","Uhrlandt, S.; Meyer, G.","Ternaere Chloride mit trigonal-bipyramidalen Clustern: (M4 (C2)) Cl9 (M= La-Pr)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1299","1303","","","","","","","","","","","","","","","","","","","","","","has coordinates","163371","2020-10-21","18:00:00",""
"1535877","8.645","","8.706","","11.92","","84.97","","85.78","","61.31","","783.457","","","","","","","","","","","","","3","P -1","-P 1","2","","(La5 (C2)) Cl9","","- C2 Cl9 La5 -","- C2 Cl9 La5 -","- C4 Cl18 La10 -","2","1","","Uhrlandt, S.; Meyer, G.","Ternaere Chloride mit trigonal-bipyramidalen Clustern: (M4 (C2)) Cl9 (M= La-Pr)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1299","1303","","","","","","","","","","","","","","","","","","","","","","has coordinates","163375","2020-10-21","18:00:00",""
"1535880","10.0688","","18.861","","10.4594","","90","","108.13","","90","","1887.7","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(C2 Pr5) Br9","","- C2 Br9 Pr5 -","- C2 Br9 Pr5 -","- C8 Br36 Pr20 -","4","1","","Uhrlandt, S.; Meyer, G.","Das erste Bromid mit trigonal-bipyramidalen (M5 (C2))-Clustern: (Pr5 (C2)) Br9","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1466","1470","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1535881","5.1253","","5.521","","7.4638","","104.027","","106.52","","97.175","","192.133","","","","","","","","","","","","","4","P -1","-P 1","2","","Cu (Se O4) (H2 O)","","- Cu H2 O5 Se -","- Cu H2 O5 Se -","- Cu2 H4 O10 Se2 -","2","1","","Iskhakova, L.D.; Kozlova, N.P.","Crystal structures M Se O4 * H2 O (M=Ni,Cu)","Kristallografiya","1995","40","","635","638","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535884","8.57","","8.627","","11.869","","84.8","","85.5","","61.29","","765.855","","","","","","","","","","","","","3","P -1","-P 1","2","","(Ce5 (C2)) Cl9","","- C2 Ce5 Cl9 -","- C2 Ce5 Cl9 -","- C4 Ce10 Cl18 -","2","1","","Uhrlandt, S.; Meyer, G.","Ternaere Chloride mit trigonal-bipyramidalen Clustern: (M4 (C2)) Cl9 (M= La-Pr)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1299","1303","","","","","","","","","","","","","","","","","","","","","","has coordinates","163383","2020-10-21","18:00:00",""
"1535885","7.019","","9.865","","17.497","","90","","90","","90","","1211.54","","","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","(N H4) Pr (Se O4)2 (H2 O)5","","- H14 N O13 Pr Se2 -","- N O13 Pr Se2 -","- N4 O52 Pr4 Se8 -","4","0.5","","Iskhakova, L.D.","Crystal structure of N H4 Pr (Se O4)2 (H2 O)5","Kristallografiya","1995","40","","631","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535888","9.22","","9.521","","12.886","","90","","91.04","","90","","1130.99","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Yb2 (Se O4)3","","- O12 Se3 Yb2 -","- O12 Se3 Yb2 -","- O48 Se12 Yb8 -","4","1","","Iskhakova, L.D.; Ovanisyan, S.M.","Synthesis and structure of Yb2 (Se O4)3","Zhurnal Neorganicheskoi Khimii","1995","40","","1768","1772","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1535951","3.816","","3.816","","12.343","","90","","90","","90","","179.737","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","La Ca (Ga O4)","","- Ca Ga La O4 -","- Ca Ga La O4 -","- Ca2 Ga2 La2 O8 -","2","0.0625","","Vasylechko, L.O.; Fedorchuk, A.A.; Matkovskii, A.O.; Savitskii, D.I.; Ubizskii, S.B.","Crystal structure of La Ca Ga O4 and Nd Sr Ga O4","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1995","31","","1234","1237","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535954","3.8151","","3.8151","","12.523","","90","","90","","90","","182.272","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Nd Sr (Ga O4)","","- Ga Nd O4 Sr -","- Ga Nd O4 Sr -","- Ga2 Nd2 O8 Sr2 -","2","0.0625","","Vasylechko, L.O.; Savitskii, D.I.; Fedorchuk, A.A.; Ubizskii, S.B.; Matkovskii, A.O.","Crystal structure of La Ca Ga O4 and Nd Sr Ga O4","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1995","31","","1234","1237","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536060","12.1803","","15.723","","6.1588","","90","","90","","90","","1179.48","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Rb4 (H (C O3))2 (C O3) (H2 O)","","- C3 H4 O10 Rb4 -","- C3 H4 O10 Rb4 -","- C12 H16 O40 Rb16 -","4","0.5","","Cirpus, V.; Adam, A.","Die ersten Hydrogencarbonate mit der trimeren (H2 (C O3)3)4- Gruppe: Darstellung und Kristallstruktur von Rb4 H2 (C O3)3 (H2 O) und K4 H2 (C O3)3 .1,5 (H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1197","1204","","","","","","","","","","","","","","","","","","","","","","has coordinates","163642","2020-10-21","18:00:00",""
"1536407","12.644","","12.644","","5.146","","90","","90","","120","","712.475","","","","","","","","","","","","","6","P 63","P 6c","173","","Na8 (Si6 Al6 O24) (H0.88 (C O3)1.44) (H2 O)2","","- C1.44 H4.88 Al6 Na8 O30.32 Si6 -","- C1.44 H4.8792 Al6 Na8 O30.3198 Si6 -","- C1.44 H4.8792 Al6 Na8 O30.3198 Si6 -","1","0.166667","","Kanepit, V.N.; Rider, E.E.","The neutron diffraction study of cancrinite","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1995","36","","763","765","","","","","","","","","","","","","","","","","","","","","","has coordinates","164098","2020-10-21","18:00:00",""
"1536429","12.188","","14.74","","14.847","","60.87","","66.35","","77.54","","2133.53","","","","","","","","","","","","","5","P 1","P 1","1","","La3 Cs15 (P O3)24 (H2 O)6","","- Cs15 H12 La3 O78 P24 -","- Cs15 La3 O78 P24 -","- Cs15 La3 O78 P24 -","1","1","","Palkina, K.K.; Kuz'mina, N.E.; Sazhenkov, A.Yu.; Masloboev, V.A.","Structure of La3 Cs15 P24 O72 6(H2 O) crystals","Zhurnal Neorganicheskoi Khimii","1995","40","","374","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536432","6.702","","6.702","","12.175","","90","","90","","90","","546.862","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Lu2 (Ge2 O7)","","- Ge2 Lu2 O7 -","- Ge2 Lu2 O7 -","- Ge8 Lu8 O28 -","4","0.5","","Palkina, K.K.; Kuz'mina, N.E.; Dzhurinskii, B.F.","Lutetium digermanate Lu2 Ge2 O7","Zhurnal Neorganicheskoi Khimii","1995","40","","1449","1451","","","","","","","","","","","","","","","","","","","","","","has coordinates","164138","2020-10-21","18:00:00",""
"1536466","17.45","","14.47","","8.854","","90","","97.7","","90","","2215.49","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","((Fe (C O)3)3 S) S (W (C O)5)","","- C14 Fe3 O14 S2 W -","- C14 Fe3 O14 S2 W -","- C56 Fe12 O56 S8 W4 -","4","0.5","","Pasynskii, A.A.; Kolobkov, B.I.; Yandulov, D.V.; Katser, S.B.","Synthesis and molecular structure of trinuclear iron carbonylsulfide and tungsten pentacarbonyl complex","Zhurnal Neorganicheskoi Khimii","1995","40","","601","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536508","17.083","","17.083","","7.853","","90","","90","","120","","1984.7","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Li Cu3 Si2","","- Cu3 Li Si2 -","- Cu3.01719 Li Si2.00415 -","- Cu81.464 Li27 Si54.112 -","27","1.125","","Pavlyuk, V.V.; Kevorkov, D.G.; Bodak, O.I.; Pecharskii, V.K.","Crystal structure of Li Cu3 Si2","Kristallografiya","1995","40","","178","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536510","14.174","","14.174","","13.527","","90","","90","","120","","2353.51","","","","","","","","","","","","","3","P 31","P 31","144","","Li7 Cu7 Si5","","- Cu7 Li7 Si5 -","- Cu6.96 Li7.00333 Si5.03667 -","- Cu62.64 Li63.03 Si45.33 -","9","3","","Pavlyuk, V.V.; Kevorkov, D.G.; Bodak, O.I.; Pecharskii, V.K.","Crystal structure of Li7 Cu7 Si5","Kristallografiya","1995","40","","180","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","164240","2020-10-21","18:00:00",""
"1536512","18.339","","12.786","","4.406","","90","","90","","90","","1033.13","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Li13 Pd11.86 Si12.14 -","- Li13 Pd11.86 Si12.14 -","- Li26 Pd23.72 Si24.28 -","2","0.25","","Pavlyuk, V.V.; Kevorkov, D.G.; Bodak, O.I.; Pecharskii, V.K.","Crystal structure of Li13 Pd12 Si12","Kristallografiya","1995","40","","183","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536513","14.12","","24.62","","9.151","","90","","100.22","","90","","3130.73","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Li107 Cu56.48 Si60.36","","- Cu56.48 Li107 Si60.36 -","- Cu56.48 Li107 Si60.36 -","- Cu56.48 Li107 Si60.36 -","1","0.25","","Pavlyuk, V.V.; Pecharskii, V.K.; Kevorkov, D.G.; Bodak, O.I.","Crystal structure of Li113 Cu54 Si57","Kristallografiya","1995","40","","185","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","164247","2020-10-21","18:00:00",""
"1536515","13.137","","13.137","","41.64","","90","","90","","120","","6223.49","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Li147 Cu114.37 Si178.15","","- Cu114.37 Li147 Si178.15 -","- Cu114.372 Li147 Si178.152 -","- Cu114.372 Li147 Si178.152 -","1","0.0277778","","Pavlyuk, V.V.; Kevorkov, D.G.; Bodak, O.I.; Pecharskii, V.K.","Crystal structure of Cu119 Li145 Si177","Kristallografiya","1995","40","","188","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","164250","2020-10-21","18:00:00",""
"1536522","4.12","","4.12","","10.475","","90","","90","","90","","177.807","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Li Pd Si3 -","- Li Pd Si3 -","- Li2 Pd2 Si6 -","2","0.125","","Kevorkov, D.G.; Stepen'-Damm, Yu.; Bodak, O.I.; Pavlyuk, V.V.","Crystal structure of Li Pd Si3","Kristallografiya","1995","40","","177","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536527","12.625","","7.391","","24.605","","90","","99.93","","90","","2261.53","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Na2 (Fe Cr F7)","","- Cr F7 Fe Na2 -","- Cr F7 Fe Na2 -","- Cr16 F112 Fe16 Na32 -","16","2","","Peschel, B.; Molinier, M.; Babel, D.","Kristallstrukturbestimmung an vier monoklinen Weberiten Na2 M(II) M(III) F7 (M(II)= Fe, Co; M(III)= V, Cr)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1573","1581","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536528","4.523","","4.523","","4.523","","90","","90","","90","","92.529","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","Si5 C3","","- C3 Si5 -","- C2.96 Si5.04 -","- C2.96 Si5.04 -","1","0.0833333","","Khaenko, B.V.; Prilutskii, E.V.; Krainikov, A.V.; Mikhailik, A.A.; Karpets, M.V.","State and crystal structure of the products of interaction between Si C and Si O2","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1995","31","","327","332","","","","","","","","","","","","","","","","","","","","","","has coordinates","164268","2020-10-21","18:00:00",""
"1536530","12.703","","7.391","","24.651","","90","","100.02","","90","","2279.13","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Na2 (Co V F7)","","- Co F7 Na2 V -","- Co F7 Na2 V -","- Co16 F112 Na32 V16 -","16","2","","Peschel, B.; Babel, D.; Molinier, M.","Kristallstrukturbestimmungen an vier monoklinen Weberiten Na2 M(II) M(III) F7 (M(II)=Fe, Co; M(III)= V, Cr)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1573","1581","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536533","12.71","","7.429","","24.716","","90","","100.03","","90","","2298.08","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Na2 (Fe V F7)","","- F7 Fe Na2 V -","- F7 Fe Na2 V -","- F112 Fe16 Na32 V16 -","16","2","","Peschel, B.; Molinier, M.; Babel, D.","Kristallstrukturbestimmungen an vier monoklinen Weberiten Na2 M(II) M(III) F7 (M(II)= Fe, Co; M(III)= V, Cr)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1573","1581","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536536","12.578","","7.335","","24.415","","90","","99.64","","90","","2220.71","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Na2 (Co Cr F7)","","- Co Cr F7 Na2 -","- Co Cr F7 Na2 -","- Co16 Cr16 F112 Na32 -","16","2","","Peschel, B.; Molinier, M.; Babel, D.","Kristallstrukturbestimmungen an vier monoklinen Weberiten Na2 M(II) M(III) F7 (M(II)= Fe, Co; M(III)= V, Cr)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1573","1581","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536563","7.5775","","7.5775","","46.577","","90","","90","","120","","2316.08","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","In4 Br7","","- Br7 In4 -","- Br7 In4 -","- Br42 In24 -","6","0.166667","","Dronskowski, R.","Synthesis, structure, and decay of In4 Br7","Angewandte Chemie (Edition international)","1995","34","","1126","1128","","","","","","","","","","","","","","","","","","","","","","has coordinates","164314","2020-10-21","18:00:00",""
"1536564","12.846","","13.857","","9.651","","90","","109.43","","90","","1620.11","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","(Cu I)3 P12","","- Cu3 I3 P12 -","- Cu3 I3 P12 -","- Cu12 I12 P48 -","4","2","","Pfitzner, A.; Freudenthaler, E.","(Cu I)3 P12: a solid containing a new polymer of phosphorus predicted by theory","Angewandte Chemie (Edition international)","1995","34","","1647","1649","","","","","","","","","","","","","","","","","","","","","","has coordinates","164315","2020-10-21","18:00:00",""
"1536567","7.9865","","10.6138","","6.8372","","90","","90","","90","","579.57","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cu3 Sb Se3 -","- Cu3 Sb Se3 -","- Cu12 Sb4 Se12 -","4","0.5","","Pfitzner, A.","Cu3 Sb Se3: Synthese und Kristallstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","685","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536583","10.853","","13.094","","13.583","","90","","90.44","","90","","1930.21","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Li (Re O4) (H2 O)1.5","","- H3 Li O5.5 Re -","- Li O5.5 Re -","- Li16 O88 Re16 -","16","4","","Khrustalev, V.N.; Varfolomeev, M.B.; Shamrai, N.B.; Struchkov, Yu.T.; Lindeman, S.V.","Crystal structure of lithium perrhenate sesquihydrate","Zhurnal Neorganicheskoi Khimii","1995","40","","208","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536595","5.098","","5.098","","4.049","","90","","90","","120","","91.134","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Yb0.5 Fe3 Ge3","","- Fe3 Ge3 Yb0.5 -","- Fe3 Ge2.998 Yb0.501 -","- Fe3 Ge2.998 Yb0.501 -","1","0.0416667","","Dzyanyi, R.B.; Bodak, O.I.; Aksel'rud, L.G.; Pavlyuk, V.V.","Crystal structure of Yb M6 Ge6 (M-Fe, Co, Mn) compounds","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1995","31","","987","987","","","","","","","","","","","","","","","","","","","","","","has coordinates","164363","2020-10-21","18:00:00",""
"1536598","7.2279","","7.2279","","3.8764","","90","","90","","90","","202.513","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Yb Fe4 Ge2","","- Fe4 Ge2 Yb -","- Fe4 Ge2 Yb -","- Fe8 Ge4 Yb2 -","2","0.125","","Dzyanyi, R.B.; Bodak, O.I.; Aksel'rud, L.G.","Crystal structure of Yb Fe4 Ge2","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1995","31","","988","989","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536600","4.186","","4.186","","6.988","","90","","90","","120","","106.043","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Yb Cu Ge","","- Cu Ge Yb -","- Cu Ge Yb -","- Cu2 Ge2 Yb2 -","2","0.0833333","","Dzyanyi, R.B.; Bodak, O.I.; Aksel'rud, L.G.","Crystal structure of Yb Cu Ge compound","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1995","31","","990","990","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536750","7.509","","9.911","","8.224","","90","","106.03","","90","","588.246","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Rb (Ni0.35 Cr0.30 Ti0.35) (P2 O7)","","- Cr0.3 Ni0.35 O7 P2 Rb Ti0.35 -","- Cr0.3 Ni0.35 O7 P2 Rb Ti0.35 -","- Cr1.2 Ni1.4 O28 P8 Rb4 Ti1.4 -","4","1","","Yakubovich, O.V.; Dimitrova, O.V.; Strelkova, E.E.","Preparation and structure of a new diphosphate Rb (Ni0.35 Cr0.30 Ti0.35) P2 O7","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1995","31","","384","388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536765","10.584","","10.584","","37.576","","90","","90","","120","","3645.36","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","K5 (Mn0.5 Zr.5) Zr (Mo O4)6","","- K5 Mn0.5 Mo6 O24 Zr1.5 -","- K5 Mn0.5 Mo6 O24 Zr1.5 -","- K30 Mn3 Mo36 O144 Zr9 -","6","0.333333","","Klevtsova, R.F.; Fedorov, K.N.; Glinskaya, L.A.; Bazarova, Zh.G.; Klevtsov, P.V.; Bazarov, B.G.","Crystal structure study of K5 (Mn0.5 Zr1.5) (Mo O4)6 ternary molybdate","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1995","36","","895","899","","","","","","","","","","","","","","","","","","","","","","has coordinates","164615","2020-10-21","18:00:00",""
"1536768","5.763","","5.763","","7.187","","90","","90","","120","","206.717","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","K (Mg0.5 Zr0.5) (Mo O4)2","","- K Mg0.5 Mo2 O8 Zr0.5 -","- K Mg0.5 Mo2 O8 Zr0.5 -","- K Mg0.5 Mo2 O8 Zr0.5 -","1","0.0833333","","Klevtsova, R.F.; Bazarova, Zh.G.; Klevtsov, P.V.; Alekseev, V.I.; Arkhincheeva, S.I.; Glinskaya, L.A.; Bazarov, B.G.","Crystal structure study of K (Mg0.5 Zr0.5) (Mo O4)2 ternary molybdate","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1995","36","","891","894","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536817","13.2313","","9.5188","","9.8948","","90","","100.976","","90","","1223.42","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- In5 Mo18 O28 -","- In5 Mo18 O28 -","- In10 Mo36 O56 -","2","0.5","","Fais, E.; Borrmann, H.; Mattausch, H.J.; Simon, A.","Kristallstrukturen zweier Modifikationen von In5 Mo18 O28 und deren Zwillingsbildung","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1178","1184","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536819","25.966","","9.52","","9.896","","90","","90","","90","","2446.25","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","","","- In5 Mo18 O28 -","- In5 Mo18 O28 -","- In20 Mo72 O112 -","4","0.5","","Fais, E.; Borrmann, H.; Mattausch, H.J.; Simon, A.","Kristallstrukturen zweier Modifikationen von In5 Mo18 O28 und deren Zwillingsbildung","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1178","1184","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536872","20.086","","7.099","","5.411","","90","","96.65","","90","","766.366","","","","","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","(K Ba) Na (Na1.2 Fe0.8) Ti3 O2 (O0.8 (O H)1.2) (Si2 O7)2","","- Ba Fe0.8 H1.2 K Na2.2 O18 Si4 Ti3 -","- Ba Fe0.8 K Na2.2 O18 Si4 Ti3 -","- Ba2 Fe1.6 K2 Na4.4 O36 Si8 Ti6 -","2","0.25","","Rastsvetaeva, R.K.; Evsyunin, V.G.; Konev, A.A.","Crystal structure of K-barytolamprophyllite","Kristallografiya","1995","40","","517","519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536883","9.584","","7.267","","5.708","","89.85","","101.22","","101.03","","382.496","","","","","","","","","","","","","10","P 1","P 1","1","","Na2 Ca4 (Ca0.7 Mn0.1 Fe0.1 Ce0.1) (Ti O (O H) (Si2 O7)2) F2","","- Ca4.7 Ce0.1 F2 Fe0.1 H Mn0.1 Na2 O16 Si4 Ti -","- Ca4.7 Ce0.1 F2 Fe0.1 Mn0.1 Na2 O16 Si4 Ti -","- Ca4.7 Ce0.1 F2 Fe0.1 Mn0.1 Na2 O16 Si4 Ti -","1","1","","Rastsvetaeva, R.K.; Pushcharovskii, D.Yu.; Atencio, D.","Crystal structure of giannetite","Kristallografiya","1995","40","","626","630","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536887","13.07","","13.07","","6.58","","90","","90","","90","","1124.03","","","","","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Na2 (Si (Si0.5 Al0.5)4 O10) (H2 O)2","","- Al2 H4 Na2 O12 Si3 -","- Al2 H4 Na2 O12 Si3 -","- Al8 H16 Na8 O48 Si12 -","4","0.25","","Rastsvetaeva, R.K.","Crystal structure of maximum - ordered tetranatrolite Na2(Si(Si0.5 Al0.5)4 O10) 2(H2 O)","Kristallografiya","1995","40","","812","815","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536985","5.255","","8.511","","7.969","","90","","104.21","","90","","345.511","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Li (I O4)","","- I Li O4 -","- I Li O4 -","- I4 Li4 O16 -","4","1","","Kraft, T.; Jansen, M.","Die Kristallstruktur von Lithiummetaperiodat, Li I O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","484","487","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537005","12.39","","7.074","","12.908","","90","","108.6","","90","","1072.25","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Ru3 Sn15 O14","","- O14 Ru3 Sn15 -","- O14 Ru3 Sn15 -","- O28 Ru6 Sn30 -","2","0.5","","Reichelt, W.; Simon, A.; Rademacher, O.; Oppermann, H.; Soehnel, T.; Koehler, J.; Mattausch, H.J.","Condensed Ru Sn6 octahedra in Ru3 Sn15 O14","Angewandte Chemie (Edition international)","1995","34","","2113","2114","","","","","","","","","","","","","","","","","","","","","","has coordinates","164940","2020-10-21","18:00:00",""
"1537013","21.242","","8.658","","8.523","","90","","90","","90","","1567.49","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Cs3 (La Cl6) (H2 O)3","","- Cl6 Cs3 H6 La O3 -","- Cl6 Cs3 La O3 -","- Cl24 Cs12 La4 O12 -","4","0.5","","Reuter, G.; Frenzen, G.","The thermal dehydration of Cs3 Ln Cl6.3 (H2 O) to Cs3 Ln Cl6 (Ln= La-Nd) and their crystal structures","Journal of Solid State Chemistry","1995","116","","329","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537014","8.282","","13.225","","26.73","","90","","90","","90","","2927.72","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Cs3 (Nd Cl6)","","- Cl6 Cs3 Nd -","- Cl6 Cs3 Nd -","- Cl48 Cs24 Nd8 -","8","1","","Reuter, G.; Frenzen, G.","The thermal dehydration of Cs3 Ln Cl6.3 (H2 O) to Cs3 Ln Cl6 (Ln= La-Nd) and their crystal structures","Journal of Solid State Chemistry","1995","116","","329","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537016","12.204","","12.204","","16.886","","90","","90","","120","","2178.02","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Rb3 La Cl6 (H2 O)2","","- Cl6 H4 La O2 Rb3 -","- Cl6 La O2 Rb3 -","- Cl36 La6 O12 Rb18 -","6","0.5","","Reuter, G.; Frenzen, G.; Roffe, M.","Rb3 Ln Cl6 * 2 H2 O (Ln=La-Nd):Darstellung, Kristallstruktur und thermisches Verhalten","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","630","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537079","14.808","","14.808","","18.862","","90","","90","","90","","4136","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Ba17 Al3 O7","","- Al3 Ba17 O7 -","- Al3 Ba17 O7 -","- Al12 Ba68 O28 -","4","0.25","","Roehr, C.; George, R.","Das Submetallat Ba17 Al3 O7: Der erste Vertreter einer neuen Verbindungsklasse.","Angewandte Chemie (Edition international)","1995","34","","2115","2116","","","","","","","","","","","","","","","","","","","","","","has coordinates","165071","2020-10-21","18:00:00",""
"1537080","13.679","","13.679","","13.679","","90","","90","","90","","2559.55","","","","","","","","","","","","","2","I a -3 d","-I 4bd 2c 3","230","","Cs0.72 Na0.15 (Al0.81 Si2.19 O6) (H2 O)0.28","","- Cs0.72 O0.28 -","- Cs0.72 O0.28 -","- Cs11.52 O4.48 -","16","0.166667","","Frank-Kamenetskaya, O.V.; Rozhdestvenskaya, I.V.; Kaminskaya, T.N.; Bannova, I.I.; Kostitsyna, A.V.; Gordienko, V.V.","Dissymmetrization of crystal structures of sodium pollucites","Kristallografiya","1995","40","","698","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","165080","2020-10-21","18:00:00",""
"1537082","13.677","","13.677","","13.691","","90","","90","","90","","2561.04","","","","","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","Cs0.81 Na0.12 (Al0.81 Si2.19 O6) (H2 O)0.23","","- Cs0.81 O0.23 -","- Cs0.81 O0.23 -","- Cs12.96 O3.68 -","16","0.5","","Frank-Kamenetskaya, O.V.; Rozhdestvenskaya, I.V.; Bannova, I.I.; Gordienko, V.V.; Kaminskaya, T.N.; Kostitsyna, A.V.","Dissymmetrization of crystal structures of sodium pollucites","Kristallografiya","1995","40","","698","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","165084","2020-10-21","18:00:00",""
"1537118","3.9809","","3.9809","","3.9809","","90","","90","","90","","63.088","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","(K0.92 Li0.08) (Ta O3)","","- K0.92 Li0.08 O3 Ta -","- K0.92 Li0.0798 O3 Ta -","- K0.92 Li0.0798 O3 Ta -","1","0.0208333","","Zhurova, E.A.; Zavodnik, V.E.; Tsirel'son, V.G.","Precision X-ray diffraction study of K Ta O3 : Li crystals","Kristallografiya","1995","40","","816","823","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537124","3.06","","3.06","","14.91","","90","","90","","120","","120.907","","","","","","","","","","","","","2","P 31","P 31","144","","Ti5.73 C3.72","","- C3.72 Ti5.73 -","- C3.72 Ti5.733 -","- C3.72 Ti5.733 -","1","0.333333","","Kukol', V.V.; Khaenko, B.V.; Gnitetskii, O.A.","Existence and regular arrangement of metal vacancies in ordered modification of titanium carbide","Kristallografiya","1995","40","","75","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","165142","2020-10-21","18:00:00",""
"1537155","6.176","","6.176","","3.204","","90","","90","","120","","105.837","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Ni6 Ge2.06 P0.94","","- Ge2.06 Ni6 P0.94 -","- Ge2.07 Ni6 P0.93 -","- Ge2.07 Ni6 P0.93 -","1","0.0833333","","Kuz'ma, Yu.B.; Orishchin, S.V.; Kondrishin, U.I.; Klypych, O.L.","The system Ni-Ge-P","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1995","31","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","165178","2020-10-21","18:00:00",""
"1537167","7.676","","7.676","","5.04","","90","","90","","90","","296.962","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Ca Y Al3 O7","","- Al3 Ca O7 Y -","- Al3 Ca O7 Y -","- Al6 Ca2 O14 Y2 -","2","0.25","","Kuz'micheva, G.M.; Denisov, A.L.; Rybakov, V.B.; Mukhin, B.V.; Smirnov, V.A.; Zharikov, E.V.","Characteristic features of isomorphism in Ca Y Al3 O7 melilites, containing ions of chromium","Zhurnal Neorganicheskoi Khimii","1995","40","","569","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537171","7.679","","7.679","","5.042","","90","","90","","90","","297.312","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","Ca Y (Al2.91 Cr0.09) O7","","- Al2.91 Ca Cr0.09 O7 Y -","- Al2.91 Ca Cr0.09 O7 Y -","- Al5.82 Ca2 Cr0.18 O14 Y2 -","2","0.25","","Kuz'micheva, G.M.; Mukhin, B.V.; Rybakov, V.B.; Zharikov, E.V.; Denisov, A.L.; Smirnov, V.A.","Characteristic features of isomorphism in Ca Y Al3 O7 melilites, containing ions of chromium","Zhurnal Neorganicheskoi Khimii","1995","40","","569","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537172","11.154","","9.053","","11.38","","90","","90","","90","","1149.12","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ba3 Pb5 -","- Ba3 Pb5 -","- Ba12 Pb20 -","4","0.25","","Zuercher, F.; Nesper, R.; Hoffmann, S.; Faessler, T.","Novel arachno-type (X5)6- Zintl anions in Sr3 Sr5, Ba3 Sr5, and Ba3 Pb5 and charge influence on Zintl clusters.","Angewandte Chemie (Edition international)","1995","34","","2703","2705","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537175","7.68","","7.68","","5.042","","90","","90","","90","","297.389","","","","","","","","","","","","","6","P -4 21 m","P -4 2ab","113","","Ca Y Al2.91 Cr0.06 B0.03 O7","","- Al2.91 B0.03 Ca Cr0.06 O7 Y -","- Al2.91 B0.03 Ca Cr0.06 O7 Y -","- Al5.82 B0.06 Ca2 Cr0.12 O14 Y2 -","2","0.25","","Kuz'micheva, G.M.; Mukhin, B.V.; Rybakov, V.B.; Denisov, A.L.; Smirnov, V.A.; Zharikov, E.V.","Characteristic features of isomorphism in Ca Y Al3 O7 melilites, containing ions of chromium","Zhurnal Neorganicheskoi Khimii","1995","40","","569","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537176","10.995","","8.987","","11.176","","90","","90","","90","","1104.32","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ba3 Sn5 -","- Ba3 Sn5 -","- Ba12 Sn20 -","4","0.25","","Zuercher, F.; Nesper, R.; Hoffmann, S.; Faessler, T.","Novel arachno-type (X5)6- Zintl anions in Sr3 Sr5, Ba3 Sr5, and Ba3 Pb5 and charge influence on Zintl clusters.","Angewandte Chemie (Edition international)","1995","34","","2703","2705","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537179","7.6877","","7.6877","","5.0659","","90","","90","","90","","299.398","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","Ca2 Al (Al (Si0.974 Cr0.026) O7)","","- Al2 Ca2 Cr0.026 O7 Si0.974 -","- Al2 Ca2 Cr0.026 O7 Si0.974 -","- Al4 Ca4 Cr0.052 O14 Si1.948 -","2","0.25","","Kuz'micheva, G.M.; Zharikov, E.V.; Denisov, A.L.","X-ray structural study of synthetic gehlenites Ca2 Al (Al Si) O7 and akermanites Ca2 Mg Si2 O7, doped with chromium ions","Zhurnal Neorganicheskoi Khimii","1995","40","","1422","1428","","","","","","","","","","","","","","","","","","","","","","has coordinates","165202","2020-10-21","18:00:00",""
"1537180","10.61","","8.557","","10.892","","90","","90","","90","","988.882","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Sr3 Sn5","","- Sn5 Sr3 -","- Sn5 Sr3 -","- Sn20 Sr12 -","4","0.25","","Zuercher, F.; Nesper, R.; Hoffmann, S.; Faessler, T.","Novel arachno-type (X5)6- Zintl anions in Sr3 Sr5, Ba3 Sr5, and Ba3 Pb5 and charge influence on Zintl clusters.","Angewandte Chemie (Edition international)","1995","34","","2703","2705","","","","","","","","","","","","","","","","","","","","","","has coordinates","165203","2020-10-21","18:00:00",""
"1537182","7.69","","7.69","","5.0714","","90","","90","","90","","299.903","","","","","","","","","","","","","6","P -4 21 m","P -4 2ab","113","","Ca2 Al (Al.5 B.5 Si.5 Cr.5 O7)","","- Al1.5 B0.5 Ca2 Cr0.5 O7 Si0.5 -","- Al1.5 B0.5 Ca2 Cr0.5 O7 Si0.5 -","- Al3 B Ca4 Cr O14 Si -","2","0.25","","Kuz'micheva, G.M.; Zharikov, E.V.; Denisov, A.L.","X-ray structural study of synthetic gehlenites Ca2 Al (Al Si) O7 and akermanites Ca2 Mg Si2 O7, doped with chromium ions","Zhurnal Neorganicheskoi Khimii","1995","40","","1422","1428","","","","","","","","","","","","","","","","","","","","","","has coordinates","165205","2020-10-21","18:00:00",""
"1537186","7.835","","7.835","","5.008","","90","","90","","90","","307.427","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","Ca2 Mg ((Si0.99 Cr0.01)2 O7)","","- Ca2 Cr0.02 Mg O7 Si1.98 -","- Ca2 Cr0.02 Mg O7 Si1.98 -","- Ca4 Cr0.04 Mg2 O14 Si3.96 -","2","0.25","","Kuz'micheva, G.M.; Zharikov, E.V.; Denisov, A.L.","X-ray structural study of synthetic gehlenites Ca2 Al (Al Si) O7 and akermanites Ca2 Mg Si2 O7, doped with chromium ions","Zhurnal Neorganicheskoi Khimii","1995","40","","1422","1428","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537189","7.538","","11.238","","11.948","","112.19","","96.33","","94.12","","924.354","","","","","","","","","","","","","5","P -1","-P 1","2","","(Tm (N O3)2 (C O (N H2)2)4) (N O3)","","- C4 H16 N11 O13 Tm -","- C4 H16 N11 O13 Tm -","- C8 H32 N22 O26 Tm2 -","2","1","","Furmanova, N.G.; Khudaibergenova, N.B.; Sulaimankulova, D.N.; Sulaimankulov, K.S.; Resnyanskii, V.F.","Crystal structure of a complex of thulium nitrate with carbamide","Kristallografiya","1995","40","","999","1003","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537220","7.734","","7.734","","5.048","","90","","90","","90","","301.945","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","(Ca0.97 Zn0.03)2 (Al0.63 Zn0.37) (Si0.69 Al0.31)2 O7","","- Al1.25 Ca1.94 O7 Si1.38 Zn0.43 -","- Al1.25 Ca1.94 O7 Si1.38 Zn0.43 -","- Al2.5 Ca3.88 O14 Si2.76 Zn0.86 -","2","0.25","","Rozhdestvenskaya, I.V.; Bannova, I.I.; Timoshenko, T.I.; Barbanyagre, V.D.; Shamshurov, V.M.","Refinement of the Ca2 (Al,Zn)(Si,Al)2 O7 crystal structure. Isomorphism in the structures of the helenite-hardystonite series","Kristallografiya","1995","40","","681","683","","","","","","","","","","","","","","","","","","","","","","has coordinates","165250","2020-10-21","18:00:00",""
"1538853","9.89","","18.024","","5.292","","90","","105.25","","90","","910.12","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","Na.7 (Ca1.88 Na.05 Fe.07) (Mg3.68 Fe.53 Al.74 Ti.05) (Si6.52 Al1.48) O22 (O H)2","","- Al2.22 Ca1.88 Fe0.6 H2 Mg3.68 Na0.75 O24 Si6.52 Ti0.05 -","- Al2.22 Ca1.88 Fe0.6 H2 Mg3.68 Na0.75 O24 Si6.52 Ti0.05 -","- Al4.44 Ca3.76 Fe1.2 H4 Mg7.36 Na1.5 O48 Si13.04 Ti0.1 -","2","0.25","","Oberti, R.; Cannillo, E.; Ungaretti, L.; Hawthorne, F.C.","(6)Al disorder in amphiboles from mantle peridotites","Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538855","9.867","","17.998","","5.285","","90","","105.19","","90","","905.753","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","Na0.78 (Ca1.81 Fe0.15 Mg0.04) (Mg3.4 Fe0.89 Al0.68 Ti0.03) (Si6.32 Al1.68 O22) Cl0.03 (O H)1.97","","- Al2.36 Ca1.81 Cl0.03 Fe1.04 H1.97 Mg3.44 Na0.78 O23.97 Si6.32 Ti0.03 -","- Al2.36 Ca1.81 Cl0.03 Fe1.04 H1.97 Mg3.44 Na0.78 O23.97 Si6.32 Ti0.03 -","- Al4.72 Ca3.62 Cl0.06 Fe2.08 H3.94 Mg6.88 Na1.56 O47.94 Si12.64 Ti0.06 -","2","0.25","","Oberti, R.; Hawthorne, F.C.; Ungaretti, L.; Cannillo, E.","(6)Al disorder in amphiboles from mantle peridotites","Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538858","9.86","","17.984","","5.29","","90","","105.26","","90","","904.961","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","(Na.55 K.03) (Ca1.88 Na.05 Fe.07) (Mg3.70 Fe.51 Al.74 Ti.05) (Si6.56 Al1.44) O22 (O H)2","","- Al2.18 Ca1.88 Fe0.58 H2 K0.03 Mg3.7 Na0.6 O24 Si6.56 Ti0.05 -","- Al2.18 Ca1.88 Fe0.58 H2 K0.03 Mg3.7 Na0.6 O24 Si6.56 Ti0.05 -","- Al4.36 Ca3.76 Fe1.16 H4 K0.06 Mg7.4 Na1.2 O48 Si13.12 Ti0.1 -","2","0.25","","Oberti, R.; Hawthorne, F.C.; Ungaretti, L.; Cannillo, E.","(6)Al disorder in amphiboles from mantle peridotites","Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538860","9.828","","17.917","","5.29","","90","","105.16","","90","","899.09","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","(Na.76 K.03) (Ca1.76 Fe.24) (Mg3.51 Fe.62 Al.87) (Si6.2 Al1.8) O22 Cl.02 F.02 (O H)1.96","","- Al2.67 Ca1.76 Cl0.02 F0.02 Fe0.86 H1.96 K0.03 Mg3.51 Na0.76 O23.96 Si6.2 -","- Al2.67 Ca1.76 Cl0.02 F0.02 Fe0.86 H1.96 K0.03 Mg3.51 Na0.76 O23.96 Si6.2 -","- Al5.34 Ca3.52 Cl0.04 F0.04 Fe1.72 H3.92 K0.06 Mg7.02 Na1.52 O47.92 Si12.4 -","2","0.25","","Oberti, R.; Hawthorne, F.C.; Cannillo, E.; Ungaretti, L.","(6)Al disorder in amphiboles from mantle peridotites","Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538863","9.869","","17.99","","5.293","","90","","105.3","","90","","906.43","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","Na.8 (Ca1.85 Fe.15) (Mg3.5 Fe.75 Al.7 Ti.05) (Si6.3 Al1.7) O22 (O H)2","","- Al2.4 Ca1.85 Fe0.9 H2 Mg3.5 Na0.8 O24 Si6.3 Ti0.05 -","- Al2.4 Ca1.85 Fe0.9 H2 Mg3.5 Na0.8 O24 Si6.3 Ti0.05 -","- Al4.8 Ca3.7 Fe1.8 H4 Mg7 Na1.6 O48 Si12.6 Ti0.1 -","2","0.25","","Oberti, R.; Ungaretti, L.; Hawthorne, F.C.; Cannillo, E.","(6)Al disorder in amphiboles from mantle peridotites","Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538866","9.866","","17.994","","5.291","","90","","105.24","","90","","906.273","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","(Na.68 K.04) (Ca1.87 Fe.13) (Mg3.85 Fe.44 Al.61 Cr.06 Ti.04) (Si6.38 Al1.62) O22 F.01 (O H)1.99","","- Al2.23 Ca1.87 Cr0.06 F0.01 Fe0.57 H1.99 K0.04 Mg3.85 Na0.68 O23.99 Si6.38 Ti0.04 -","- Al2.23 Ca1.87 Cr0.06 F0.01 Fe0.57 H1.99 K0.04 Mg3.85 Na0.68 O23.99 Si6.38 Ti0.04 -","- Al4.46 Ca3.74 Cr0.12 F0.02 Fe1.14 H3.98 K0.08 Mg7.7 Na1.36 O47.98 Si12.76 Ti0.08 -","2","0.25","","Oberti, R.; Hawthorne, F.C.; Cannillo, E.; Ungaretti, L.","(6)Al disorder in amphiboles from mantle peridotites","Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538869","9.874","","17.995","","5.298","","90","","105.4","","90","","907.563","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","(Na.78 K.03) (Ca1.88 Fe.12) (Mg3.49 Fe.75 Al.66 Cr.05 Ti.05) (Si6.22 Al1.78) O22 F.03 (O H)1.97","","- Al2.44 Ca1.88 Cr0.05 F0.03 Fe0.87 H1.97 K0.03 Mg3.49 Na0.78 O23.97 Si6.22 Ti0.05 -","- Al2.44 Ca1.88 Cr0.05 F0.03 Fe0.87 H1.97 K0.03 Mg3.49 Na0.78 O23.97 Si6.22 Ti0.05 -","- Al4.88 Ca3.76 Cr0.1 F0.06 Fe1.74 H3.94 K0.06 Mg6.98 Na1.56 O47.94 Si12.44 Ti0.1 -","2","0.25","","Oberti, R.; Hawthorne, F.C.; Ungaretti, L.; Cannillo, E.","(6)Al disorder in amphiboles from mantle peridotites","Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538872","9.871","","17.962","","5.279","","90","","105.22","","90","","903.152","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","(Na.89 K.01) (Ca1.81 Mg.04 Fe.15) (Mg3.74 Fe.45 Al.78 Ti.03) (Si6.2 Al1.8) O22 F.02 Cl.02 (O H)1.96","","- Al2.58 Ca1.81 Cl0.02 F0.02 Fe0.6 H1.96 K0.01 Mg3.78 Na0.89 O23.96 Si6.2 Ti0.03 -","- Al2.58 Ca1.81 Cl0.02 F0.02 Fe0.6 H1.94 K0.01 Mg3.78 Na0.89 O23.96 Si6.2 Ti0.03 -","- Al5.16 Ca3.62 Cl0.04 F0.04 Fe1.2 H3.88 K0.02 Mg7.56 Na1.78 O47.92 Si12.4 Ti0.06 -","2","0.25","","Oberti, R.; Hawthorne, F.C.; Ungaretti, L.; Cannillo, E.","(6)Al disorder in amphiboles from mantle peridotites","Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538875","9.854","","17.935","","5.285","","90","","105.31","","90","","900.879","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","(Na.92 K.01) (Ca1.8 Mg.08 Fe.12) (Mg3.72 Fe.33 Al.92 Cr.03) (Si6.1 Al1.9) O22 F.03 (O H)1.97","","- Al2.82 Ca1.8 Cr0.03 F0.03 Fe0.45 H1.97 K0.01 Mg3.8 Na0.92 O23.97 Si6.1 -","- Al2.82 Ca1.8 Cr0.03 F0.03 Fe0.45 H1.97 K0.01 Mg3.8 Na0.92 O23.97 Si6.1 -","- Al5.64 Ca3.6 Cr0.06 F0.06 Fe0.9 H3.94 K0.02 Mg7.6 Na1.84 O47.94 Si12.2 -","2","0.25","","Oberti, R.; Hawthorne, F.C.; Ungaretti, L.; Cannillo, E.","(6)Al disorder in amphiboles from mantle peridotites","Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539755","3.836","","3.836","","5.115","","90","","90","","120","","65.183","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Al As3 Ni6)0.4","","- Al0.4 As1.6 Ni2 -","- Al0.4 As1.6 Ni2 -","- Al0.4 As1.6 Ni2 -","1","0.0416667","","Deputier, S.; Guerin, R.; Ballini, Y.; Guivarc'h, A.","Solid state phase equilibria in the Ni - Al - As system","Journal of Alloys Compd.","1995","217","","13","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","168776","2020-10-21","18:00:00",""
"1539759","3.861","","3.861","","5.106","","90","","90","","120","","65.919","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Al As Ni3)0.8","","- Al0.85 As1.15 Ni2 -","- Al0.85 As1.15 Ni2 -","- Al0.85 As1.15 Ni2 -","1","0.0416667","","Deputier, S.; Guerin, R.; Ballini, Y.; Guivarc'h, A.","Solid state phase equilibria in the Ni - Al - As system","Journal of Alloys Compd.","1995","217","","13","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","168780","2020-10-21","18:00:00",""
"1539763","3.959","","3.959","","5.064","","90","","90","","120","","68.738","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Al2 As2 Ni7)0.36","","- Al0.72 As0.72 Ni2.52 -","- Al As Ni2 -","- Al As Ni2 -","1","0.0416667","","Deputier, S.; Guerin, R.; Guivarc'h, A.; Ballini, Y.","Solid state phase equilibria in the Ni - Al - As system","Journal of Alloys Compd.","1995","217","","13","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","168785","2020-10-21","18:00:00",""
"1539831","3.5916","","3.5916","","5.179","","90","","90","","90","","66.807","","","","","","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","Zr O2","","- O2 Zr -","- O2 Zr -","- O4 Zr2 -","2","0.125","","Bondars, B.Ya.; Frey, F.; Heidemane, G.; Grabis, J.; Schneider, J.; Laschke, K.; Boysen, H.","Powder diffraction investigations of plasma sprayed zirconia","Journal of Materials Science","1995","30","","1621","1625","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539857","17.524","","11.943","","14.031","","90","","90","","90","","2936.54","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","K (Th12 N6 Br29)","","- Br29 K N6 Th12 -","- Br29 K1.02 N6 Th12 -","- Br58 K2.04 N12 Th24 -","2","0.25","","Braun, T.P.; Simon, A.; Boettcher, F.; Ueno, F.","A Th12 N6 X29 (A= Li-Rb; X= Cl, Br): ein neuartiger Typ von Thorium-Clustern mit Th12 N6 - Kern","Angewandte Chemie (German Edition)","1995","107","","647","648","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540253","4.286","","4.286","","4.286","","90","","90","","90","","78.733","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ti2 C N","","- C N Ti2 -","- C N Ti2 -","- C2 N2 Ti4 -","2","0.0104167","","Lengauer, W.; Binder, S.; Aigner, K.; Ettmayer, P.; Guillou, A.; Debuigne, J.; Groboth, G.","Solid state properties of group IVb carbonitrides","Journal of Alloys Compd.","1995","217","","137","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540255","4.583","","4.583","","4.583","","90","","90","","90","","96.261","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Hf2 C N","","- C Hf2 N -","- C Hf2 N -","- C2 Hf4 N2 -","2","0.0104167","","Lengauer, W.; Binder, S.; Aigner, K.; Ettmayer, P.; Groboth, G.; Guillou, A.; Debuigne, J.","Solid state properties of group IVb carbonitrides","Journal of Alloys Compd.","1995","217","","137","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540416","3.63249","0.00005","3.63249","0.00005","5.22879","0.00009","90","","90","","90","","68.9938","0.0018","","","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","Zr0.85 Ce0.15 O2","","- Ce0.15 O2 Zr0.85 -","- Ce0.15 O2 Zr0.85 -","- Ce0.3 O4 Zr1.7 -","2","0.125","","Yashima, M.; Hirose, T.; Katano, S.; Suzuki, Y.; Kakihana, M.; Yoshimura, M.","Structural changes of ZrO~2~-CeO~2~ solid solutions around the monoclinic-tetragonal phase boundary","Physical Review B","1995","51","13","8434","8437","10.1103/PhysRevB.51.8018","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540704","12.235","","7.073","","9.298","","90","","116.31","","90","","721.279","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Ca3 (Si O4) O","Alite","- Ca3 O5 Si -","- Ca3 O5 Si -","- Ca18 O30 Si6 -","6","1.5","","Mumme, W.G.","Crystal structure of tricalcium silicate from a Portland cement clinker and its application to quantitative XRD analysis","N. Jb. Miner. Mh","1995","4","","145","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540779","8.958","","5.649","","4.811","","90","","90","","90","","243.455","","","","","","","","","","","","","6","P n m 21","P 2bc -2bc","31","","(N H4) Fe (H P O4) F","","- F Fe H5 N O4 P -","- F Fe H5 N O4 P -","- F2 Fe2 H10 N2 O8 P2 -","2","0.5","","Yakubovich, O.V.; Karimova, O.V.; Mel'nikov, O.K.; Urusov, V.S.","Crystal structure of (N H4) (Fe P O4) H F - synthetic variant of niahite","Doklady Akad. Nauk","1995","342","","40","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540855","3.823","","3.823","","28.20999","","90","","90","","90","","412.298","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","(Nd1.5 Ce0.5) Sr2 Cu2 Mn O9","","- Ce0.5 Cu2 Mn Nd1.5 O9 Sr2 -","- Ce0.5 Cu2.0001 Mn0.9999 Nd1.5 O9 Sr2 -","- Ce Cu4.0002 Mn1.9998 Nd3 O18 Sr4 -","2","0.0625","","Wu, X.; Qian, Y.; Chen, Z.","Synthesis and structure character of (Nd Ce)2 Sr2 Cu2 Mn O10-d","Huaxue Yanjiu Yu Yingyong (Chem. Research and Application)","1995","7","","308","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1543733","6.809","0.001","6.809","0.001","20.4439","0.003","90","","90","","120","","820.8","0.2","270","","","","","","","","","","","3","R -3 :H","-R 3","148","","Phyllo-dichromiumhexatellurodigermanate","","- Cr2 Ge2 Te6 -","- Cr2 Ge2 Te6 -","- Cr6 Ge6 Te18 -","3","0.166667","","Carteaux, V.; Brunet, D.; Ouvrard, G.; Andre, G.","Crystallographic, magnetic and electronic structures of a new layered ferromagnetic compound Cr2 Ge2 Te6","Journal of Physics: Condensed Matter","1995","7","","69","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","201202","2020-10-21","18:00:00",""
"1544387","5.94761","0.00005","5.94761","0.00005","24.6604","0.0002","90","","90","","120","","755.467","0.011","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","Ba5Er2Al2ZrO13","","","- Al2 Ba5 Er2 O13 Zr -","- Al2 Ba5 Er2 O13 Zr -","- Al4 Ba10 Er4 O26 Zr2 -","2","0.0833333","","Shpanchenko, R.V.; Abakumov, A.M.; Antipov, E.V.; Nistor, L.; Tendeloo, Van, G.; Amelinckx, S.","Structural study of the new complex oxides Ba5-ySryR2-xAl2Zr1+xO12+x/2 (R = Gd-Lu, Y, Sc)","Journal of Solid State Chemistry","1995","118","","180","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","187650","2020-10-21","18:00:00",""
"1544391","5.8177","0.00007","5.8177","0.00007","24.1947","0.0003","90","","90","","120","","709.175","0.015","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","Ba4.5Sr0.5Sc1.33Zr1.67O13.33","","","- Ba4.5 O13.33 Sc1.33 Sr0.5 Zr1.67 -","- Al2 Ba4.5 O13.3333 Sc1.3333 Sr0.5 Zr1.6667 -","- Al4 Ba9 O26.6666 Sc2.6666 Sr Zr3.3334 -","2","0.0833333","","Shpanchenko, R.V.; Abakumov, A.M.; Antipov, E.V.; Nistor, L.; Tendeloo, Van, G.; Amelinckx, S.","Structural study of the new complex oxides Ba5-ySryR2-xAl2Zr1+xO12+x/2 (R = Gd-Lu, Y, Sc)","Journal of Solid State Chemistry","1995","118","","180","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","187654","2020-10-21","18:00:00",""
"1544453","10.427","0.002","3.2112","0.0005","12.069","0.002","90","","90","","90","","404.11","0.12","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","Sc2Cu1.6Co0.4O5","","","- Co0.4 Cu1.6 O5 Sc2 -","- Co0.4 Cu1.6 O5 Sc2 -","- Co1.6 Cu6.4 O20 Sc8 -","4","1","","Imanaka, N.; Shimizu, T.; Saito, F.; Kobayashi, Y.; Adachi, G.; Liu, G.; Greedan, Edward, J.","Structure and magnetic properties of quasi-one dimensional cobalt-doped scandium cuprate compounds","Journal of the Ceramic Society of Japan","1995","103","","330","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","187766","2020-10-21","18:00:00",""
"1545514","9.581","0.001","9.611","0.001","5.663","0.001","90","","90","","90","","521.47","0.12","","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F8 Li4 Zr -","- F8 Li4 Zr -","- F32 Li16 Zr4 -","4","0.5","","Dugat, Pierre; El-Ghozzi, Malika; Metin, Jacques; Avignant, Daniel","Crystal Structures of Li4ZrF8 and Li3Zr4F19 and Reinvestigation of the LiF-ZrF4 Phase Diagram","Journal of Solid State Chemistry","1995","120","","187","196","10.1006/jssc.1995.1396","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","0.0574","","","","","","","","has coordinates","194040","2020-10-21","18:00:00",""
"1545568","5.418","0.002","10.822","0.002","12.708","0.002","107.7","0.1","92","0.1","103.4","0.2","686","0.9","","","294","","","","","","","","","3","P -1","-P 1","2","","","","- F19 Li3 Zr4 -","- F19 Li3 Zr4 -","- F38 Li6 Zr8 -","2","1","","Dugat, Pierre; El-Ghozzi, Malika; Metin, Jacques; Avignant, Daniel","Crystal Structures of Li4ZrF8 and Li3Zr4F19 and Reinvestigation of the LiF-ZrF4 Phase Diagram","Journal of Solid State Chemistry","1995","120","","187","196","10.1006/jssc.1995.1396","","x-ray","0.71069","MoKα","","","0.028","","","0.032","","","","","","","","","","","has coordinates","194262","2020-10-21","18:00:00",""
"1548686","5.5769","0.0002","4.8986","0.0001","5.6644","0.0002","90","","120.678","0.001","90","","133.089","0.007","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Tungsten dioxide","","- O2 W -","- O2 W -","- O8 W4 -","4","1","","Bolzan, Adrian A.; Kennedy, Brendan J.; Howard, Christopher J.","Neutron Powder Diffraction Study of Molybdenum and Tungsten Dioxides","Australian Journal of Chemistry","1995","48","8","1473","1477","10.1071/ch9951473","powder diffraction","neutron","1.4925","","","","","","","","","","0.0191","","","","","","","","has coordinates","205200","2020-10-21","18:00:00",""
"1548687","5.6102","0.0003","4.8573","0.0002","5.6265","0.0003","90","","120.915","0.002","90","","131.542","0.012","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Molybdenum dioxide","","- Mo O2 -","- Mo O2 -","- Mo4 O8 -","4","1","","Bolzan, Adrian A.; Kennedy, Brendan J.; Howard, Christopher J.","Neutron Powder Diffraction Study of Molybdenum and Tungsten Dioxides","Australian Journal of Chemistry","1995","48","8","1473","1477","10.1071/ch9951473","powder diffraction","neutron","1.4925","","","","","","","","","","0.0157","","","","","","","","has coordinates","205200","2020-10-21","18:00:00",""
"1557754","7.5831","0.0009","12.5698","0.0014","15.835","0.002","90","","101.98","0.009","90","","1476.5","0.3","","","122","","","","","","","","","5","P 1 21 1","P 2yb","4","(S)-3-(2'-HYDROXY-2'-PHENYLETHYL)-2-THIAZOLIDINIMINIUM (2R,3R)-O,O'-DIBENZOYL HYDROGEN TARTRATE)","","","- C30 H32 N2 O10 S -","- C30 N2 O10 S -","- C60 N4 O20 S2 -","2","1","","Marthi, Katalin; Larsen, Sine; Acs, Maria; Balint, Jozsef; Fogassy, Elemer","The Optical Resolution of 3-(2'-Hydroxy-2'-phenylethyl)-2-thiazolidinimine and the Crystal Structure of the (2R,3R)-O,O'-Dibenzoyl Hydrogen Tartrate Salt of the (S)-(+)-Enantiomer","Acta Chemica Scandinavica","1995","49","","20","27","10.3891/acta.chem.scand.49-0020","","x-ray","1.54184","CuKα","","","0.0255","","","","0.071","","","","","","1.038","","","","has coordinates","250500","2020-10-21","18:00:00",""
"1557757","7.5195","0.0005","9.5506","0.0006","14.8293","0.0011","90","","92.25","0.01","90","","1064.16","0.13","","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cis-[PtCl2(C2H5CN)2]","","","- C6 H10 Cl2 N2 Pt -","- C6 Cl2 N2 Pt -","- C24 Cl8 N8 Pt4 -","4","1","","Svensson, Per; Lovqvist, Karin; Kukushkin, Vadim Yu.; Oskarsson, Ake","Thermal Cis to Trans Isomerization of [PtCl2(C2H5CN)2] and Crystal Structures of the cis- and trans-Isomers","Acta Chemica Scandinavica","1995","49","","72","75","10.3891/acta.chem.scand.49-0072","","x-ray","0.71069","MoKα","","","0.057","","","0.064","","","","","","","","","","","has coordinates","250536","2020-10-21","18:00:00",""
"1557758","5.1359","0.0006","9.393","0.0007","10.941","0.0009","90","","98.05","0.01","90","","522.61","0.09","","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Trans-[PtCl2(C2H5CN)2]","","","- C6 H10 Cl2 N2 Pt -","- C6 Cl2 N2 Pt -","- C12 Cl4 N4 Pt2 -","2","0.5","","Svensson, Per; Lovqvist, Karin; Kukushkin, Vadim Yu.; Oskarsson, Ake","Thermal Cis to Trans Isomerization of [PtCl2(C2H5CN)2] and Crystal Structures of the cis- and trans-Isomers","Acta Chemica Scandinavica","1995","49","","72","75","10.3891/acta.chem.scand.49-0072","","x-ray","0.71069","MoKα","","","0.064","","","0.084","","","","","","","","","","","has coordinates","250537","2020-10-21","18:00:00",""
"1557778","6.831","0.001","11.481","0.002","21.788","0.006","90","","90","","90","","1708.8","0.6","","","140","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-Hydroxy-7-oxabicyclo[4.3.0]non-4-en-8-ones","","","- C18 H17 F3 O5 -","- C18 F3 O5 -","- C72 F12 O20 -","4","1","","Hibbs, David E.; Hursthouse, Michael B.; Knutsen, Lars J. S.; Malik, K. M. Abdul; Olivo, Horacio F.; Roberts, Stanley M.; Varley, David R.; Xiong, Hui","Preparation and Determination of the Absolute Configuration of Optically Active 9-Hydroxy-7-oxabicyclo[4.3.0]non-4-en-8-ones","Acta Chemica Scandinavica","1995","49","","122","127","10.3891/acta.chem.scand.49-0122","","x-ray","0.71069","MoKα","","0.0384","0.0323","","","0.0673","0.0695","","","","","","0.927","","","","has coordinates","250666","2020-10-21","18:00:00",""
"1557779","8.352","0.002","10.195","0.002","12.064","0.003","94.44","0.02","100.84","0.02","94.26","0.02","1001.7","0.4","","","","","","","","","","","","4","P -1","-P 1","2","7,23-dibenzy1-3,11,19,27-tetraoxo- 1,4,7,10,13,17,20,23,26,29-decaazatricyclo[27.3.2.213'17]hexatriacontane","","","- C40 H62 N10 O4 -","- C40 H62 N10 O4 -","- C40 H62 N10 O4 -","1","0.5","","Aasen, Arne Jorgen; Groth, Per; Carvalho, Joan F.; Varadarajan, John; Klaveness, Jo","Synthesis and Crystal Structure of a Macrotricyclic Chelating Agent","Acta Chemica Scandinavica","1995","49","","133","137","10.3891/acta.chem.scand.49-0133","","x-ray","0.71069","MoKα","","","0.0427","","","0.0472","","","","","","","","","","","has coordinates","250667","2020-10-21","18:00:00",""
"1557780","8.007","0.002","15.059","0.003","9.555","0.002","90","","103.67","0.03","90","","1119.5","0.5","","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(mu-1-diethylamino-2-propanolato)bis(isothiocyanato)dicopper(II)","","","- C8 H16 Cu N2 O S -","- C8 Cu N2 O S -","- C32 Cu4 N8 O4 S4 -","4","1","","Valo, Jaana; Klinga, Martti; Mutikainen, Ilpo; Nasakkala, Matti","Crystal Structure and Magnetic Properties of Bis(mu-1-diethylamino-2-propanolato)bis(isothiocyanato)dicopper(II)","Acta Chemica Scandinavica","1995","49","","248","252","10.3891/acta.chem.scand.49-0248","","x-ray","0.71069","MoKα","","","0.034","","","0.035","","","","","","","","","","","has coordinates","250669","2020-10-21","18:00:00",""
"1557781","10.245","0.002","13.647","0.002","18.168","","90","","90","","90","","2540.1","0.6","","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-Methoxy-4-trinitromethylnaphthalene","","","- C12 H9 N3 O7 -","- C11.5 N3 O7 -","- C92 N24 O56 -","8","2","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Persson, Ola; Robinson, Ward T.","Photochemical Nitration by Tetranitromethane. Part XXII. Adducts as Precursors of Nitro Substitution Products from the Photolysis of 1-Methoxynaphthalene‒Tetranitromethane, Dehydrodimer Formation and the Regiochemistry of Trinitromethanide Ion Attack on the Radical Cation of 1-Methoxynaphthalene","Acta Chemica Scandinavica","1995","49","","253","264","10.3891/acta.chem.scand.49-0253","","x-ray","0.71069","MoKα","","","0.037","","","","0.078","","","","","","","","","","has coordinates","250670","2020-10-21","18:00:00",""
"1557782","25.902","0.007","6.463","0.002","9.572","0.003","90","","107.91","0.02","90","","1524.7","0.8","","","132","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","4,4'-Dimethoxy-1,1'-binaphthalene","","","- C22 H18 O2 -","- C22 O2 -","- C88 O8 -","4","0.5","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Persson, Ola; Robinson, Ward T.","Photochemical Nitration by Tetranitromethane. Part XXII. Adducts as Precursors of Nitro Substitution Products from the Photolysis of 1-Methoxynaphthalene‒Tetranitromethane, Dehydrodimer Formation and the Regiochemistry of Trinitromethanide Ion Attack on the Radical Cation of 1-Methoxynaphthalene","Acta Chemica Scandinavica","1995","49","","253","264","10.3891/acta.chem.scand.49-0253","","x-ray","0.71069","MoKα","","","0.041","","","","0.093","","","","","","","","","","has coordinates","250671","2020-10-21","18:00:00",""
"1557809","10.7238","0.0012","11.6098","0.0013","10.391","0.0011","110.865","0.007","110.236","0.006","100.457","0.006","1063.5","0.2","","","293","","","","","","","","","5","P -1","-P 1","2","(mer-2-[1-(2-oxo-phenyliminato)ethyl]phenolato-N,O,O'(2-aminophenolato-O,N) (N,N-di-methylhydrazido)molybdenum(VI)","","","- C22 H22 Mo N4 O3 -","- C22 Mo N4 O3 -","- C44 Mo2 N8 O6 -","2","1","","Retboll, Mikael; Moller, Eval Rud; Hazell, Rita G.; Jorgensen, Karl Anker","Reactions of Dioxo[N-(salicylidene)-2-aminophenolato-N,O,O'] (hexamethylphosphoramide)molybdenum(VI) Complexes with Substituted Hydrazines and Chemistry of Molybdenum(VI)-Hydrazido Complexes","Acta Chemica Scandinavica","1995","49","","278","290","10.3891/acta.chem.scand.49-0278","","x-ray","0.71069","MoKα","","","0.055","","","0.055","","","","","","","1.276","","","","has coordinates","250841","2020-10-21","18:00:00",""
"1557812","8.496","0.001","15.5","0.002","9.324","0.001","90","","97.96","0.01","90","","1216","0.3","","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Me3S)HgI3","","","- C3 H9 Hg I3 S -","- C3 Hg I3 S -","- C12 Hg4 I12 S4 -","4","1","","Bengtsson, Lars A.; Noren, Bertil; Stegemann, Harald","Structure of the Triiodomercurate(II) Ion in the Solid and Liquid State","Acta Chemica Scandinavica","1995","49","","391","398","10.3891/acta.chem.scand.49-0391","","x-ray","0.71069","MoKα","","","0.046","","","0.063","","","","","","","1.07","","","","has coordinates","250881","2020-10-21","18:00:00",""
"1557813","8.766","0.001","13.126","0.001","12.998","0.002","90","","91.63","0.01","90","","1495","0.3","","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Et3S)HgI3","","","- C6 H15 Hg I3 S -","- C6 Hg I3 S -","- C24 Hg4 I12 S4 -","4","1","","Bengtsson, Lars A.; Noren, Bertil; Stegemann, Harald","Structure of the Triiodomercurate(II) Ion in the Solid and Liquid State","Acta Chemica Scandinavica","1995","49","","391","398","10.3891/acta.chem.scand.49-0391","","x-ray","0.71069","MoKα","","","0.044","","","0.063","","","","","","","1.01","","","","has coordinates","250882","2020-10-21","18:00:00",""
"1557819","9.5866","0.0005","9.5866","0.0005","7.0474","0.0005","90","","90","","90","","647.68","0.07","","","295","","","","","","","","","2","P 4/n m m :2","-P 4a 2a","129","V15Sb18","","","- Sb18 V15 -","- Sb18 V14.92 -","- Sb18 V14.92 -","1","0.0625","","Furuseth, Sigrid; Fjellvag, Helmer","Synthesis and Crystal Structure of V15Sb18","Acta Chemica Scandinavica","1995","49","","417","422","10.3891/acta.chem.scand.49-0417","","x-ray","0.71069","MoKα","","","0.03","","","0.031","","","","","","","","","","","has coordinates","250933","2020-10-21","18:00:00",""
"1557820","16.864","0.003","18.164","0.003","19.36","0.004","95.68","0.02","102.43","0.02","114.56","0.01","5147.4","1.9","","","138","","","","","","","","","5","P -1","-P 1","2","3,3',5,5'-Tetrakis(2,3-dihydroxypropylcarbamoy1)-2,2',4,4',6,6'-hexaiodo-N,N'- (2-hydroxypropane-1,3-diy)diacetanilide monohydrate iodixanol","","","- C35 H46 I6 N6 O16 -","- C35 I6 N6 O17.5 -","- C140 I24 N24 O70 -","4","2","","Tonnesen, Lisbeth Ehnebom; Pedersen, Berit Fjartoft; Klaveness, Jo","Molecular and Crystal Structure of Iodixanol, a New X-Ray Contrast Agent","Acta Chemica Scandinavica","1995","49","","433","440","10.3891/acta.chem.scand.49-0433","","x-ray","0.71069","MoKα","","","0.068","","","0.165","","","","","","","1.1","","","","has coordinates","250934","2020-10-21","18:00:00",""
"1557848","14.656","0.003","15.393","0.004","21.008","0.004","78.49","0.02","80.07","0.02","63.21","0.01","4127.1","1.6","","","293","","","","","","","","","7","P -1","-P 1","2","High-Spin cis-Bis(acetonitrile) Tetrakis(triphenylphosphine oxide)iron(II) Triiodide‒Acetonitrile","","","- C78 H69 Fe I6 N3 O4 P4 -","- C77.9 Fe I6 N3 O4 P4 -","- C155.8 Fe2 I12 N6 O8 P8 -","2","1","","Ondrejkovicova, Iveta; Melnik, Milan; Smolander, Kimmo; Ahlgren, Markku","Synthesis and Structural Characterisation of High-Spin cis-Bis(acetonitrile) Tetrakis(triphenylphosphine oxide)iron(II) Triiodide‒Acetonitrile(1/1)","Acta Chemica Scandinavica","1995","49","","475","481","10.3891/acta.chem.scand.49-0475","","x-ray","0.71069","MoKα","","","0.067","","","","","","","","","","","","","","has coordinates","251013","2020-10-21","18:00:00",""
"1557849","9.423","0.002","9.83","0.002","10.039","0.002","101.61","0.03","112.01","0.03","112.23","0.03","731.5","0.5","","","120","","","","","","","","","4","P -1","-P 1","2","6,8-Dimethyl-r-1-nitro-t-4-trinitromethyl-1,4-dihydronaphthalene","","","- C13 H12 N4 O8 -","- C13 N4 O8 -","- C26 N8 O16 -","2","1","","Eberson, Lennart; Hartshorn, Michael P.; Persson, Ola; Robinson, Ward T.; Timmerman-Vaughan, David J.","Photochemical Nitration by Tetranitromethane. Part XXIII. Adduct Formation in the Photochemical Reaction of 1,3-Dimethylnaphthalene. Steric Effects and the Regiochemistry of Trinitromethanide Ion Attack on the Radical Cation of 1,3-Dimethylnaphthalene","Acta Chemica Scandinavica","1995","49","","482","494","10.3891/acta.chem.scand.49-0482","","x-ray","1.5418","CuKα","","","0.041","","","","0.108","","","","","","","","","","has coordinates","251014","2020-10-21","18:00:00",""
"1557850","7.594","0.002","23.672","0.005","8.179","0.002","90","","104.63","0.03","90","","1422.6","0.6","","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nitro cycloadduct","","","- C13 H12 N4 O8 -","- C13 N4 O8 -","- C52 N16 O32 -","4","1","","Eberson, Lennart; Hartshorn, Michael P.; Persson, Ola; Robinson, Ward T.; Timmerman-Vaughan, David J.","Photochemical Nitration by Tetranitromethane. Part XXIII. Adduct Formation in the Photochemical Reaction of 1,3-Dimethylnaphthalene. Steric Effects and the Regiochemistry of Trinitromethanide Ion Attack on the Radical Cation of 1,3-Dimethylnaphthalene","Acta Chemica Scandinavica","1995","49","","482","494","10.3891/acta.chem.scand.49-0482","","x-ray","1.5418","CuKα","","","0.06","","","","0.161","","","","","","","","","","has coordinates","251015","2020-10-21","18:00:00",""
"1557851","7.881","0.002","17.684","0.004","10.973","0.002","90","","102.29","0.03","90","","1494.2","0.6","","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6,8-Dimethyl-r-1-nitro-c-4-trinitromethyl-1,4-dihydronaphthalene","","","- C13 H12 N4 O8 -","- C13 N4 O8 -","- C52 N16 O32 -","4","1","","Eberson, Lennart; Hartshorn, Michael P.; Persson, Ola; Robinson, Ward T.; Timmerman-Vaughan, David J.","Photochemical Nitration by Tetranitromethane. Part XXIII. Adduct Formation in the Photochemical Reaction of 1,3-Dimethylnaphthalene. Steric Effects and the Regiochemistry of Trinitromethanide Ion Attack on the Radical Cation of 1,3-Dimethylnaphthalene","Acta Chemica Scandinavica","1995","49","","482","494","10.3891/acta.chem.scand.49-0482","","x-ray","1.5418","CuKα","","","0.059","","","","0.171","","","","","","","","","","has coordinates","251016","2020-10-21","18:00:00",""
"1557877","15.289","0.003","15.602","0.004","17.96","0.003","90","","90","","90","","4284.2","1.6","","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-methy1-2,4,6-triphenylpyridinium perchlorate","","","- C24 H20 Cl N O4 -","- C24 Cl N O4 -","- C192 Cl8 N8 O32 -","8","1","","Anulewicz, Romana; Bak, Tomasz; Cyranski, Michal; Krygowski, Tadeusz Marek; Pawlak, Dorota; Pniewska, Barbara; Rasala, Danuta; Gawinecki, Ryszard","Substituent Effects on the Geometry of the Pyridine Ring in 1-Methyl-4-(4-R-phenyl)-2,6-diphenylpyridinium Perchlorates","Acta Chemica Scandinavica","1995","49","","515","523","10.3891/acta.chem.scand.49-0515","","x-ray","1.5418","CuKα","","0.0886","0.0586","","","0.1565","0.1902","","","","","","","","","","has coordinates","251073","2020-10-21","18:00:00",""
"1557878","13.12","0.004","11.853","0.002","14.182","0.005","90","","103.35","0.03","90","","2145.9","1.1","","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-methy1-4-(4-chloropheny1)-2,6-diphenylpyridinium perchlorate","","","- C24 H19 Cl2 N O4 -","- C24 Cl2 N O4 -","- C96 Cl8 N4 O16 -","4","1","","Anulewicz, Romana; Bak, Tomasz; Cyranski, Michal; Krygowski, Tadeusz Marek; Pawlak, Dorota; Pniewska, Barbara; Rasala, Danuta; Gawinecki, Ryszard","Substituent Effects on the Geometry of the Pyridine Ring in 1-Methyl-4-(4-R-phenyl)-2,6-diphenylpyridinium Perchlorates","Acta Chemica Scandinavica","1995","49","","515","523","10.3891/acta.chem.scand.49-0515","","x-ray","1.5418","CuKα","","0.0938","0.0832","","","0.2177","0.2576","","","","","","","","","","has coordinates","251074","2020-10-21","18:00:00",""
"1557879","12.75","0.005","11.775","0.002","14.29","0.005","90","","102.4","0.03","90","","2095.3","1.2","","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1-methy1-4-(4-fluoropheny1)-2,6-diphenylpyridinium perchlorate","","","- C24 H19 Cl F N O4 -","- C24 Cl F N O4 -","- C96 Cl4 F4 N4 O16 -","4","1","","Anulewicz, Romana; Bak, Tomasz; Cyranski, Michal; Krygowski, Tadeusz Marek; Pawlak, Dorota; Pniewska, Barbara; Rasala, Danuta; Gawinecki, Ryszard","Substituent Effects on the Geometry of the Pyridine Ring in 1-Methyl-4-(4-R-phenyl)-2,6-diphenylpyridinium Perchlorates","Acta Chemica Scandinavica","1995","49","","515","523","10.3891/acta.chem.scand.49-0515","","x-ray","1.5418","CuKα","","0.0866","0.0679","","","0.1775","0.202","","","","","","","","","","has coordinates","251075","2020-10-21","18:00:00",""
"1557880","13.397","0.003","11.833","0.002","14.34","0.003","90","","105.83","0.03","90","","2187.1","0.8","","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-methy1-4-(4-nitropheny1)-2,6-diphenylpyridinium perchlorate","","","- C24 H19 Cl N O6 -","- C24 Cl N2 O6 -","- C96 Cl4 N8 O24 -","4","1","","Anulewicz, Romana; Bak, Tomasz; Cyranski, Michal; Krygowski, Tadeusz Marek; Pawlak, Dorota; Pniewska, Barbara; Rasala, Danuta; Gawinecki, Ryszard","Substituent Effects on the Geometry of the Pyridine Ring in 1-Methyl-4-(4-R-phenyl)-2,6-diphenylpyridinium Perchlorates","Acta Chemica Scandinavica","1995","49","","515","523","10.3891/acta.chem.scand.49-0515","","x-ray","1.5418","CuKα","","0.1027","0.076","","","0.1983","0.2385","","","","","","","","","","has coordinates","251076","2020-10-21","18:00:00",""
"1557881","7.979","0.004","17.892","0.008","16.954","0.008","90","","97.52","0.04","90","","2400","2","","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-methy1-4-(4-dimethylpheny1)-2,6-diphenylpyridinium perchlorate","","","- C26 H25 Cl N2 O4 -","- C26 Cl N2 O4 -","- C104 Cl4 N8 O16 -","4","1","","Anulewicz, Romana; Bak, Tomasz; Cyranski, Michal; Krygowski, Tadeusz Marek; Pawlak, Dorota; Pniewska, Barbara; Rasala, Danuta; Gawinecki, Ryszard","Substituent Effects on the Geometry of the Pyridine Ring in 1-Methyl-4-(4-R-phenyl)-2,6-diphenylpyridinium Perchlorates","Acta Chemica Scandinavica","1995","49","","515","523","10.3891/acta.chem.scand.49-0515","","x-ray","1.5418","CuKα","","0.1178","0.0753","","","0.2069","0.2655","","","","","","","","","","has coordinates","251077","2020-10-21","18:00:00",""
"1557896","6.744","0.002","8.56","0.002","10.305","0.004","90","","99.1","0.03","90","","587.4","0.3","","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-deoxy-2-C-hydroxymethyl-D-erythro-pentono-1,4-lactone","","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","1","","Alen, Raimo; Valkonen, Jussi","The Crystal and Molecular Structures of Five-Carbon and Six-Carbon Isosaccharino-1,4-lactones from Alkaline Pulping","Acta Chemica Scandinavica","1995","49","","536","539","10.3891/acta.chem.scand.49-0536","","x-ray","0.71073","MoKα","","","0.036","","","0.04","","","","","","","0.866","","","","has coordinates","251126","2020-10-21","18:00:00",""
"1557897","6.184","0.002","8.932","0.001","6.566","0.001","90","","94.09","0.02","90","","361.75","0.14","","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","3-deoxy-2-C-hydroxymethyl-D,L-tetrono-1,4-lactone","","","- C6 H10 O5 -","- C6 H10 O5 -","- C12 H20 O10 -","2","1","","Alen, Raimo; Valkonen, Jussi","The Crystal and Molecular Structures of Five-Carbon and Six-Carbon Isosaccharino-1,4-lactones from Alkaline Pulping","Acta Chemica Scandinavica","1995","49","","536","539","10.3891/acta.chem.scand.49-0536","","x-ray","0.71073","MoKα","","","0.03","","","0.03","","","","","","","0.296","","","","has coordinates","251127","2020-10-21","18:00:00",""
"1557918","17.583","0.004","8.664","0.003","11.707","0.003","90","","90","","90","","1783.4","0.9","","","120","","","","","","","","","6","P n m a","-P 2ac 2n","62","1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane Dibromide Perchlorate","","","- C11 H27 Br2 Cl N4 O4 -","- C11 Br2 Cl N4 O4 -","- C44 Br8 Cl4 N16 O16 -","4","0.5","","Springborg, Johan; Kofod, Pauli; Olsen, Carl Erik; Toftlund, Hans; Sotofte, Inger","Synthesis and Crystal Structure of a Small Bicyclic Tetraaza Proton Sponge, 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane Dibromide Perchlorate.","Acta Chemica Scandinavica","1995","49","","547","554","10.3891/acta.chem.scand.49-0547","","x-ray","0.71073","MoKα","","","0.0471","","","","0.0803","","","","","","1.03","","","","has coordinates","251186","2020-10-21","18:00:00",""
"1557919","11.505","0.004","8.186","0.004","11.185","0.006","90","","105.87","0.03","90","","1013.3","0.8","","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","1,4,8,11-Tetraazatricyclo[6.6.2.2(4,1)]octadecane","","","- C14 H33 Cl3 N4 O2 Zn -","- C14 Cl3 N4 O Ow Zn -","- C28 Cl6 N8 O2 Ow2 Zn2 -","2","1","","Springborg, Johan; Olsen, Carl Erik; Sotofte, Inger","An Inert Proton Coordinated Inside a Nearly Tetrahedral Tetraamine Cavity. Synthesis and X-Ray Crystal Structure of the Aquatrichlorozincate(II) Salt of the Inside Monoprotonated Amine 1,4,8,11-Tetraazatricyclo[6.6.2.2(4,1)]octadecane","Acta Chemica Scandinavica","1995","49","","555","563","10.3891/acta.chem.scand.49-0555","","x-ray","0.71073","MoKα","","","0.0448","","","","0.1032","","","","","","1.02","","","","has coordinates","251187","2020-10-21","18:00:00",""
"1557920","18.922","0.004","21.706","0.004","8.512","0.004","90","","90","","90","","3496.1","1.9","","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","3,9,12-Triaza-6-azoniaspiro[5,8]tetradecane Chloride Trihydrochloride Dihydrate","","","- C10 H30 Cl4 N4 O2 -","- C10 Cl4 N4 O2 -","- C80 Cl32 N32 O16 -","8","1","","Springborg, Johan; Kofod, Pauli; Olsen, Carl Erik; Sotofte, Inger","Synthesis and Crystal Structure of a Spiro Amine: 3,9,12-Triaza-6-azoniaspiro[5,8]tetradecane Chloride Trihydrochloride Dihydrate","Acta Chemica Scandinavica","1995","49","","564","570","10.3891/acta.chem.scand.49-0564","","x-ray","0.71073","MoKα","","","0.056","","","0.049","","","","","","","1.12","","","","has coordinates","251188","2020-10-21","18:00:00",""
"1557953","16.054","0.003","9.085","0.001","11.909","0.002","90","","107.69","0.02","90","","1654.8","0.5","","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4,6,7-Tetramethyl-r-1-nitro-t-4-trinitromethy1-1,4-dihydronaphthalene","","","- C15 H16 N4 O8 -","- C15 N4 O8 -","- C60 N16 O32 -","4","1","","Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Timmerman-Vaughan, David J.","Photochemical Nitration by Tetranitromethane. Part XXIV. Adduct Formation in the Photochemical Reaction of 1,4,6,7-Tetramethylnaphthalene; Some Rearrangement Studies of 1,4,6,7-Tetramethyl-r-1-nitro-t-4-trinitromethyl-1,4-dihydronaphthalene and Evidence for Inverted Spin Trapping of Trinitromethanide Ion","Acta Chemica Scandinavica","1995","49","","571","584","10.3891/acta.chem.scand.49-0571","","x-ray","1.5418","CuKα","","","0.08","","","","0.215","","","","","","","","","","has coordinates","251270","2020-10-21","18:00:00",""
"1557954","5.264","0.001","8.505","0.002","13.864","0.003","104.08","0.03","100.04","0.03","94.96","0.03","587.4","0.2","","","130","","","","","","","","","3","P -1","-P 1","2","1,4,6,7-Tetramethy1-1,2-dihydronaphthalene-r-1,c-2-diol","","","- C14 H18 O2 -","- C14 O2 -","- C28 O4 -","2","1","","Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Timmerman-Vaughan, David J.","Photochemical Nitration by Tetranitromethane. Part XXIV. Adduct Formation in the Photochemical Reaction of 1,4,6,7-Tetramethylnaphthalene; Some Rearrangement Studies of 1,4,6,7-Tetramethyl-r-1-nitro-t-4-trinitromethyl-1,4-dihydronaphthalene and Evidence for Inverted Spin Trapping of Trinitromethanide Ion","Acta Chemica Scandinavica","1995","49","","571","584","10.3891/acta.chem.scand.49-0571","","x-ray","0.71069","MoKα","","","0.043","","","","0.114","","","","","","","","","","has coordinates","251271","2020-10-21","18:00:00",""
"1557957","10.489","0.003","11.677","0.006","19.466","0.006","90","","90","","90","","2384.2","1.6","","","138","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1'-(Ethyloxycarbonyloxy)-ethy1-5-acetylamino-3(N-methylacetylamino)-2,4,6- triiodobenzene carboxylate","","","- C17 H19 I3 N2 O7 -","- C17 I3 N2 O7 -","- C68 I12 N8 O28 -","4","1","","Tonnesen, Lisbeth Ehnebom; Fossheim, Rune; Klaveness, Jo; Pedersen, Berit Fjaertoft; Thomassen, Terje","Structural Studies of a Particulate X-Ray Contrast Agent: a Multi-Method Approach","Acta Chemica Scandinavica","1995","49","","625","631","10.3891/acta.chem.scand.49-0625","","x-ray","0.71069","MoKα","","","0.051","","","0.057","","","","","","","","","","","has coordinates","251305","2020-10-21","18:00:00",""
"1557958","7.455","0.001","10.609","0.001","23.627","0.002","90","","98.346","0.007","90","","1848.9","0.3","","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tetrammine-Carbonatocobalt(III) Sulfate Trihydrate, [Co(NH3)4CO3]2SO4.3H2O","","","- C2 H30 Co2 N8 O13 S -","- C2 H30 Co2 N8 O13 S -","- C8 H120 Co8 N32 O52 S4 -","4","1","","Macikenas, Dainius; Hazell, R. G.; Christensen, A. Norlund","X-Ray Crystallographic Study of Tetrammine-Carbonatocobalt(III) Sulfate Trihydrate, [Co(NH3)4CO3]2SO4.3H2O","Acta Chemica Scandinavica","1995","49","","636","639","10.3891/acta.chem.scand.49-0636","","x-ray","0.71069","MoKα","","","0.033","","","0.045","","","","","","","","","","","has coordinates","251306","2020-10-21","18:00:00",""
"1557982","11.345","0.005","26.057","0.002","4.057","0.002","90","","90","","90","","1199.3","0.8","","","295","","","","","","","","","3","P n m a","-P 2ac 2n","62","4-Methy1-3,5-dipheny1-4H-1,2,4-triazole","","","- C15 H13 N3 -","- C15 N3 -","- C60 N12 -","4","0.5","","Carlsen, Per H. J.; Jorgensen, Kare B.; Gautun, Odd Reidar; Jagner, Susan; Hakansson, Mikael","Transition States in the Crystalline Phase? Thermal Rearrangements of Solid 4H-1,2,4-Triazoles","Acta Chemica Scandinavica","1995","49","","676","682","10.3891/acta.chem.scand.49-0676","","x-ray","0.71069","MoKα","","","0.037","","","0.041","","","","","","","","","","","has coordinates","251362","2020-10-21","18:00:00",""
"1557985","7.376","0.003","6.269","0.003","7.082","0.003","90","","90","","90","","327.5","0.2","","","292","","","","","","","","","3","P n m a","-P 2ac 2n","62","beta-VOSO4","","","- O5 S V -","- O5 S V -","- O20 S4 V4 -","4","0.5","","Boghosian, Soghomon; Eriksen, Kim Michael; Fehrmann, Rasmus; Nielsen, Kurt","Synthesis, Crystal Structure Redetermination and Vibrational Spectra of beta-VOSO4","Acta Chemica Scandinavica","1995","49","","703","708","10.3891/acta.chem.scand.49-0703","","x-ray","0.71069","MoKα","","","0.0181","","","0.0412","","","","","","","","","","","has coordinates","251393","2020-10-21","18:00:00",""
"1557986","5.896","0.002","11.486","0.001","18.016","0.003","90","","90","","90","","1220.1","0.5","","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Proline 2,5-Dihydroxybenzoic Acid (1/1)","","","- C12 H15 N O6 -","- C12 H15 N O6 -","- C48 H60 N4 O24 -","4","1","","Aakeroy, Christer B.; Bahra, Gurmit S.; Brown, Chris R.; Hitchcock, Peter B.; Patell, Yasmin; Seddon, Kenneth R.","L-Proline 2,5-Dihydroxybenzoic Acid (1/1): A Zwitterion Co-crystal","Acta Chemica Scandinavica","1995","49","","762","767","10.3891/acta.chem.scand.49-0762","","x-ray","0.71069","MoKα","","","0.039","","","0.044","","","","","","","","","","","has coordinates","251394","2020-10-21","18:00:00",""
"1557995","10.806","0.001","11.169","0.003","11.729","0.002","71.99","0.02","89.38","0.01","81.37","0.01","1330","0.5","","","292","","","","","","","","","5","P -1","-P 1","2","[Cu(C6H5COO)2(C5H6N2)]2.(C4H8O)2","","","- C23 H24 Cu N2 O5 -","- C23 Cu N2 O5 -","- C46 Cu2 N4 O10 -","2","1","","Rui-Na, Yang; Dong-Mei, Wang; Yi-Min, Hou; Bao-Yu, Xue; Dou-Man, Jin; Liao-Rong, Chen; Bao-Sheng, Luo","Synthesis, Structure and Characterization of the Binuclear Copper(II) Complex [Cu(C6H5COO)2(C5H6N2)]2.(C4H8O)2","Acta Chemica Scandinavica","1995","49","","771","773","10.3891/acta.chem.scand.49-0771","","x-ray","0.71073","MoKα","","","0.043","","","0.049","","","","","","","","","","","has coordinates","251417","2020-10-21","18:00:00",""
"1558036","13.221","0.002","13.748","0.002","9.455","0.001","87.86","0.01","110.54","0.01","116.86","0.01","1420.5","0.4","","","296","","","","","","","","","4","P -1","-P 1","2","4-[5-(5-Methoxy-3-methyl-1-phenyl-1H-pyrazol-4-yloxy)- 3-methyl-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-phenylpyridazin-3(2H)-one","","","- C32 H28 N6 O3 -","- C32 N6 O3 -","- C64 N12 O6 -","2","1","","Mannila, Erkki; Hennig, Lothar; Rissanen, Kari","Crystal Structure of 4-[5-(5-Methoxy-3-methyl-1-phenyl-1H-pyrazol-4-yloxy)- 3-methyl-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-phenylpyridazin-3(2H)-one","Acta Chemica Scandinavica","1995","49","","774","777","10.3891/acta.chem.scand.49-0774","","x-ray","0.71069","MoKα","","","0.065","","","0.064","","","","","","","","","","","has coordinates","251894","2020-10-21","18:00:00",""
"1558037","7.871","0.002","8.311","0.002","21.307","0.004","90","","90","","90","","1393.8","0.6","","","105","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","A(+)589-[Co(en)2(N-formyloxamato)]ClO4","","","- C7 H17 Cl Co N5 O8 -","- C7 H17 Cl Co N5 O8 -","- C28 H68 Cl4 Co4 N20 O32 -","4","1","","Grondahl, Lisbeth; Hammershoi, Anders; Hartshorn, Richard M.; Sargeson, Alan M.","Thionyl Chloride Oxidation of Chelated Glycinate in Bis(1,2-ethanediamine)glycinatocobalt(III): Syntheses of N,O-bound N-Formyl Oxamate and Thiooxamate","Acta Chemica Scandinavica","1995","49","","781","791","10.3891/acta.chem.scand.49-0781","","x-ray","0.71073","MoKα","","","0.03","","","0.033","","","","","","","","","","","has coordinates","251895","2020-10-21","18:00:00",""
"1558042","6.1509","0.0013","14.872","0.002","17.421","0.003","90","","93.71","0.02","90","","1590.3","0.5","","","105","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","rac-Bis(1,2-ethanediamine)(2-thiooxamato-N,O)cobalt(III) Trifluoromethanesulfonate Monohydrate","","","- C7 H18 Co F3 N5 O6 S2 -","- C7 Co F3 N5 O6 S2 -","- C28 Co4 F12 N20 O24 S8 -","4","1","","Grondahl, Lisbeth; Hammershoi, Anders; Larsen, Sine","The Crystal Structures of rac-Bis(1,2-ethanediamine)(2-thiooxamato-N,O)cobalt(III) Trifluoromethanesulfonate Monohydrate at 110 and 296 K and Their Relation to the Reversible Phase Transition at 155 K","Acta Chemica Scandinavica","1995","49","","792","799","10.3891/acta.chem.scand.49-0792","","x-ray","0.71073","MoKα","","","0.038","","","0.043","","","","","","","1.23","","","","has coordinates","251942","2020-10-21","18:00:00",""
"1558043","12.558","0.005","14.978","0.003","18.139","0.003","90","","104.44","0.02","90","","3304","1.6","","","296","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","rac-Bis(1,2-ethanediamine)(2-thiooxamato-N,O)cobalt(III) Trifluoromethanesulfonate Monohydrate","","","- C7 H18 Co F3 N5 O6 S2 -","- C7 Co F3 N5 O6 S2 -","- C56 Co8 F24 N40 O48 S16 -","8","2","","Grondahl, Lisbeth; Hammershoi, Anders; Larsen, Sine","The Crystal Structures of rac-Bis(1,2-ethanediamine)(2-thiooxamato-N,O)cobalt(III) Trifluoromethanesulfonate Monohydrate at 110 and 296 K and Their Relation to the Reversible Phase Transition at 155 K","Acta Chemica Scandinavica","1995","49","","792","799","10.3891/acta.chem.scand.49-0792","","x-ray","0.71073","MoKα","","","0.043","","","0.043","","","","","","","1.06","","","","has coordinates","251943","2020-10-21","18:00:00",""
"1558044","5.724","0.003","19.756","0.007","16.587","0.006","90","","96.31","0.03","90","","1864.3","1.4","","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Phenyl-1-phenylthio-1-(2-tetrahydropyranylthio)propan-2-ol Diastereomer","","","- C20 H24 O2 S2 -","- C20 O2 S2 -","- C80 O8 S8 -","4","1","","Kansikas, Jarno; Leskela, Markku; Sipila, Kaija; Hase, Tapio","Synthesis and Structure of an Intramolecularly Hydrogen-Bonded 2-Phenyl-1-phenylthio-1-(2-tetrahydropyranylthio)propan-2-ol Diastereomer","Acta Chemica Scandinavica","1995","49","","809","812","10.3891/acta.chem.scand.49-0809","","x-ray","0.71069","MoKα","","0.0803","0.0417","","","0.0409","0.047","","","","","","1.2","","","","has coordinates","251944","2020-10-21","18:00:00",""
"1558107","5.4518","0.0008","4.8784","0.0004","11.825","0.001","90","","101.11","0.01","90","","308.6","0.06","","","293","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","BiSbO4","","","- Bi O4 Sb -","- Bi O4 Sb -","- Bi4 O16 Sb4 -","4","0.5","","Enjalbert, Renee; Sorokina, Svetlana; Castro, Alicia; Galy, Jean","Comparison of Bismuth Stereochemistry in [BiO2]n and [Bi2O2]n Layers. Refinement of BiSbO4","Acta Chemica Scandinavica","1995","49","","813","819","10.3891/acta.chem.scand.49-0813","","x-ray","0.71069","MoKα","","","0.059","","","0.07","","","","","","","","","","","has coordinates","252346","2020-10-21","18:00:00",""
"1558108","10.673","0.003","12.064","0.003","12.295","0.003","90","","110.89","0.02","90","","1479","0.7","","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Ti4(OCH3)14Cl2]","","","- C14 H42 Cl2 O14 Ti4 -","- C14 Cl2 O14 Ti4 -","- C28 Cl4 O28 Ti8 -","2","0.5","","Hyvarinen, Kirsi; Klinga, Martti; Leskela, Markku","Synthesis and Crystal Structure of a Tetrameric Titanium Methoxochloro Complex, Ti4(OCH3)14Cl2","Acta Chemica Scandinavica","1995","49","","820","823","10.3891/acta.chem.scand.49-0820","","x-ray","0.71073","MoKα","","","0.082","","","0.1431","","","","","","","","","","","has coordinates","252347","2020-10-21","18:00:00",""
"1558109","12.417","0.009","8.269","0.004","7.627","0.006","90","","96.31","0.05","90","","778.4","0.9","","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cu3(2+)Fe2(3+)(SeO3)6","","","- Cu3 Fe2 O18 Se6 -","- Cu3 Fe2 O18 Se6 -","- Cu6 Fe4 O36 Se12 -","2","0.5","","Giester, Gerald","The Crystal Structures of the Isotypic Compounds M3(2+)Fe2(3+)(SeO3)6 (M = Cu,Zn)","Acta Chemica Scandinavica","1995","49","","824","828","10.3891/acta.chem.scand.49-0824","","x-ray","0.71069","MoKα","","","0.025","","","0.058","","","","","","","","","","","has coordinates","252348","2020-10-21","18:00:00",""
"1558110","12.491","0.008","8.331","0.005","7.696","0.005","90","","95.96","0.04","90","","796.5","0.9","","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Zn3(2+)Fe2(3+)(SeO3)6","","","- Fe2 O18 Se6 Zn3 -","- Fe2 O18 Se6 Zn3 -","- Fe4 O36 Se12 Zn6 -","2","0.5","","Giester, Gerald","The Crystal Structures of the Isotypic Compounds M3(2+)Fe2(3+)(SeO3)6 (M = Cu,Zn)","Acta Chemica Scandinavica","1995","49","","824","828","10.3891/acta.chem.scand.49-0824","","x-ray","0.71069","MoKα","","","0.034","","","0.072","","","","","","","","","","","has coordinates","252349","2020-10-21","18:00:00",""
"1558169","10.124","0.003","13.762","0.005","17.592","0.006","83.61","0.02","82.62","0.02","71.54","0.03","2299.1","1.4","","","293","","","","","","","","","6","P -1","-P 1","2","Bis(diethyldithiocarbamato)iodophenyltellurium(IV) [PhTe(Et2NCS2)2I]","","","- C16 H25 I N2 S4 Te -","- C16 I N2 S4 Te -","- C64 I4 N8 S16 Te4 -","4","2","","Husebye, Steinar; Maartmann-Moe, Knut","Synthesis and Crystal Structure of Bis(diethyldithiocarbamato)iodophenyltellurium(IV), [PhTe(Et2NCS2)2I]","Acta Chemica Scandinavica","1995","49","","834","838","10.3891/acta.chem.scand.49-0834","","x-ray","0.71069","MoKα","","","0.027","","","0.032","","","","","","","1.347","","","","has coordinates","252568","2020-10-21","18:00:00",""
"1558170","9.2515","0.0011","16.9912","0.0018","6.9209","0.0008","90","","97","0.01","90","","1079.8","0.2","","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cis-C,C-[Carbonylchloro-(2-(2'-thienyl)-pyridinato-C,3N')platinum(II)] [Pt(tpy)(CO)Cl]","","","- C10 H6 Cl N O Pt S -","- C10 Cl N O Pt S -","- C40 Cl4 N4 O4 Pt4 S4 -","4","1","","Engebretsen, Thoralf; Kvam, Per-Inge; Lindeman, Sergey V.; Songstad, Jon","Crystal Structure of cis-C,C-[Carbonylchloro-(2-(2'-thienyl)-pyridinato-C,3N')platinum(II)], [Pt(tpy)(CO)Cl].","Acta Chemica Scandinavica","1995","49","","853","855","10.3891/acta.chem.scand.49-0853","","x-ray","0.71073","MoKα","","","0.0346","","","0.0777","","","","","","","","","","","has coordinates","252569","2020-10-21","18:00:00",""
"1558172","13.339","0.002","12.066","0.001","14.572","0.003","90","","96.52","0.01","90","","2330.2","0.6","","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(N1-isopropyl-2-methyl-1,2-propanediamine)isothiocyanatozinc(II) Thiocyanate","","","- C16 H36 N6 S2 Zn -","- C16 N6 S2 Zn -","- C64 N24 S8 Zn4 -","4","1","","Pariya, Chandi; Chaudhuri, Nirmalendu Ray; Das, Asish; Seth, Shyamal Kumar","Crystal Structure of Bis(N1-isopropyl-2-methyl-1,2-propanediamine)isothiocyanatozinc(II) Thiocyanate","Acta Chemica Scandinavica","1995","49","","859","864","10.3891/acta.chem.scand.49-0859","","x-ray","1.5418","CuKα","","","0.059","","","0.08","","","","","","","1.071","","","","has coordinates","252643","2020-10-21","18:00:00",""
"1558173","11.677","0.002","12.391","0.003","16.047","0.003","75.65","0.03","86.44","0.03","65.33","0.03","2041.8","0.9","","","298","","","","","","","","","4","P -1","-P 1","2","Thallium(III) Bicyclic Phthalocyanine","","","- C48 H24 N13 Tl -","- C48 N13 Tl -","- C96 N26 Tl2 -","2","1","","Janczak, Jan; Kubiak, Ryszard","Synthesis and Crystal Structure of Thallium(III) Bicyclic Phthalocyanine","Acta Chemica Scandinavica","1995","49","","871","877","10.3891/acta.chem.scand.49-0871","","x-ray","0.71069","MoKα","","","0.0628","","","0.082","","","","","","","0.77","","","","has coordinates","252644","2020-10-21","18:00:00",""
"1558266","5.627","0.001","34.136","0.007","7.999","0.001","90","","104.01","0.01","90","","1490.8","0.5","","","121","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-Benzoyl-6-phenylhex-5-ene-2,4-dione","","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","1","","Arrieta, Antonio F.; Haglund, Kjersti Ann; Mostad, Arvid","A Structural Study of the beta,beta'-Triketone 3-Benzoyl-6-phenylhex-5-ene-2,4-dione","Acta Chemica Scandinavica","1995","49","","918","921","10.3891/acta.chem.scand.49-0918","","x-ray","0.71069","MoKα","","","0.045","","","0.044","","","","","","","2.12","","","","has coordinates","252987","2020-10-21","18:00:00",""
"2000008","8.2513","0.0008","10.5006","0.0013","9.309","0.0008","90","","102.849","0.011","90","","786.369","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(-)-(SS)-alpha-Phenyl-2-(p-Tolylsulfinyl)-3-furanmethanol","","","- C18 H16 O3 S -","- C18 H16 O3 S -","- C36 H32 O6 S2 -","2","1","","Retoux, R.; Girodier, L.; Rouessac, F.","(-)-(S,S)-α-Phenyl-2-(p-tolylsulfinyl)-3-furanmethanol","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","146","148","10.1107/s0108270194006050","","","","","","","0.0329","","","0.0329","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000012","7.968","0.0014","8.1104","0.0011","23.761","0.003","90","","90","","90","","1535.52","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O3 S -","- C16 H20 O3 S -","- C64 H80 O12 S4 -","4","1","","Retoux, R.; Hayes, P.; Maignan, C.","(5S,SS)-7-Methyl-8-p-toluenesulfinyl-1,6-dioxaspiro[4.5]dec-7-ene","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","93","94","10.1107/s0108270194007298","","","","","","","0.0514","","","0.0514","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000013","8.5143","0.0007","11.8171","0.0006","14.752","0.0009","90","","90","","90","","1484.26","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 S -","- C16 H17 N O3 S -","- C64 H68 N4 O12 S4 -","4","1","","Gosselin, P.; Bonfand, E.; Maignan, C.; Retoux, R.","The Diels-Alder Adduct of an Enantiopure 2-Sulfinyldiene and Maleimide: (1S,2R,3S,SR)-3-Methyl-5-p-toluenesulfinylcyclohex-4-en-1,2-dicarboximide","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","94","","10.1107/s0108270194007304","","","","","","","0.0419","","","0.0419","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000029","20.208","0.003","20.208","0.003","20.843","0.003","90","","90","","120","","7371.19","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C90 H114 N6 S8 W6 -","- C144 H204 N6 S8 W6 -","- C432 H612 N18 S24 W18 -","3","0.166667","","Ehrlich, Grant M.; Warren, Christopher J.; Vennos, Deborah A.; Ho, Douglas M.; Haushalter, Robert C.; DiSalvo, Francis J.","Synthesis, Structure, and Characterization of N-Ligated W~6~S~8~L~6~ Cluster Complexes","Inorganic Chemistry","1995","34","17","4454","4459","10.1021/ic00121a025","","","","","","","0.0413","","","0.0413","","","","","","","","","","","has coordinates","199802","2020-10-21","18:00:00",""
"2000039","10.342","0.003","15.176","0.003","13.515","0.003","90","","93.55","0.02","90","","2117.11","","","","252.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C20 H46 Cl12 Mo6 O2 P2 -","- C30 Cl22 Mo8 P2 -","- C60 Cl44 Mo16 P4 -","2","0.5","","Ehrlich, Grant M.; Deng, Haibin; Hill, Laurie I.; Steigerwald, M. L.; Squattrito, Philip J.; DiSalvo, Francis J.","Synthesis and Characterization of cis-[Mo~6~Cl~8~(Cl~4~)(P(C~2~H~5~)~3~)~2~] · 2THF","Inorganic Chemistry","1995","34","9","2480","2482","10.1021/ic00113a036","","","","","","","0.037","","","0.037","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000040","9.404","0.002","10.725","0.005","11.905","0.006","114.43","0.03","90.52","0.03","109.07","0.03","1018.6","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N6 S8 W6 -","- C60 H60 N12 S16 W12 -","- C60 H60 N12 S16 W12 -","1","0.5","","Ehrlich, Grant M.; Warren, Christopher J.; Vennos, Deborah A.; Ho, Douglas M.; Haushalter, Robert C.; DiSalvo, Francis J.","Synthesis, Structure, and Characterization of N-Ligated W~6~S~8~L~6~ Cluster Complexes","Inorganic Chemistry","1995","34","17","4454","4459","10.1021/ic00121a025","","","","","","","0.0525","","","0.0525","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000041","25.043","0.008","21.253","0.007","13.188","0.006","90","","90","","90","","7019.17","","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H30 Cl32 Mo6 N6 O2 Sb4 -","- C28 Cl40 Mo12 N12 O2 Sb4 -","- C112 Cl160 Mo48 N48 O8 Sb16 -","4","0.5","","Ehrlich, Grant M.; Warren, Christopher J.; Haushalter, Robert C.; DiSalvo, Francis J.","Preparation and Structure of [Mo~6~Cl~8~(CH~3~CN)~6~](SbCl~6~)~4~ · 2EtOH","Inorganic Chemistry","1995","34","16","4284","4286","10.1021/ic00120a042","","","","","","","0.066","","","0.066","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000042","26.752","0.006","26.752","0.006","9.436","0.003","90","","90","","90","","6753.06","","","","","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C54 H78 N6 S8 W6 -","- C108 H156 N12 S16 W12 -","- C432 H624 N48 S64 W48 -","4","0.5","","Ehrlich, Grant M.; Warren, Christopher J.; Vennos, Deborah A.; Ho, Douglas M.; Haushalter, Robert C.; DiSalvo, Francis J.","Synthesis, Structure, and Characterization of N-Ligated W~6~S~8~L~6~ Cluster Complexes","Inorganic Chemistry","1995","34","17","4454","4459","10.1021/ic00121a025","","","","","","","0.028","","","0.028","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000075","8.709","","9.729","","9.145","","99.11","","110.7","","67.19","","667.944","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H36 N6 O20 P6 -","- C8 H36 N6 O38 P12 -","- C8 H36 N6 O38 P12 -","1","0.5","","Gharbi, A.; Jouini, A.; Durif, A.","Structural, DSC, and IR Studies on a New Organic-Cation Cyclohexaphosphate: [NH3-(CH2)2-NH2-(CH2)2-NH3]2P6O18 · 2H2O","Journal of Solid State Chemistry","1995","114","1","42","51","10.1006/jssc.1995.1006","","","","","","","0.035","","","0.035","","","","","","","","","","","has coordinates","199750","2020-10-21","18:00:00",""
"2000076","11.812","0.006","10.67","0.005","9.986","0.004","110.04","0.05","111.49","0.05","67.88","0.05","1053.84","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H52 N6 O36 V10 -","- C12 H52 N6 O64 V20 -","- C12 H52 N6 O64 V20 -","1","0.5","","Averbuch-Pouchot, M. T.; Durif, A.","Crystal structure of hexakis(ethanolammonium) decavanadate dihydrate, (C~2~H~8~NO)~6~(V~10~O~28~)(H~2~O)~2~","Zeitschrift für Kristallographie - Crystalline Materials","1995","210","2","156","157","10.1524/zkri.1995.210.2.156","","","","","","","0.034","","","0.034","","","","","","","","","","","has coordinates","174849","2020-10-21","18:00:00",""
"2000107","12.353","0.008","11.944","0.008","10.154","0.005","114.91","0.05","110.82","0.05","79.04","0.05","1268.62","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H60 N6 O24 P6 -","- C23 H15 N3 O21 P6 -","- C46 H30 N6 O42 P12 -","2","1","","Elmokhtar, O. S. M.; Abid, S.; Rzaigui, M.; Durif, A.","Chemical preparation and structural investigation of a new cyclohexaphosphate: (C~6~H~5~NH~3~)~6~P~6~O~18~ · 6H~2~O","Materials Chemistry and Physics","1995","42","3","225","230","10.1016/0254-0584(95)01594-9","","","","","","","0.042","","","0.042","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2000132","14.226","0.002","15.117","0.002","17.557","0.002","90","","90","","90","","3775.71","","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H98 Al24 N8 O129 P32 Zn8 -","- C32 Al64 N8 O200 P64 Zn8 -","- C32 Al64 N8 O200 P64 Zn8 -","1","0.125","","Marler, Bernd; Patarin, Joel; Sierra, Ligia","Crystal structure of a novel porous MeAPO phase: ZAPO-M1, {N(CH~3~)~4~}~8~[Zn~8~Al~24~P~32~O~128~]","Microporous Materials","1995","5","3","151","159","10.1016/0927-6513(95)00056-F","","","","","","","0.069","","","0.069","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2000134","10.54","0.001","10.05","0.003","14.37","0.003","90","","90","","90","","1522.17","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H17 N2 O12 P3 Zn2 -","- C6 N2 O16 P3 Zn6 -","- C24 N8 O64 P12 Zn24 -","4","1","","Ahmadi, K.; Hardy, A.; Patarin, A.; Huve, L.","Synthesis and structure of Zn~2~(HPO~4~)~3~ · H~2~N~2~C~6~H~12~","European Journal of Solid State and Inorganic Chemistry","1995","32","3","209","223","","","","","","","","0.035","","","0.035","","","","","","","","","","","has coordinates","182181","2020-10-21","18:00:00",""
"2002660","19.118","0.003","5.6123","0.0004","11.518","0.005","90","","111.32","0.02","90","","1151.3","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Copper(I) pentadysprosium octakis(tungstate)","","- Cu Dy5 O32 W8 -","- Cu Dy5 O32 W8 -","- Cu2 Dy10 O64 W16 -","2","0.25","","Gressling, T; Mueller-Buschbaum, Hk","Ein neuer Strukturtyp beiKupfer-Lanthanoid-Oxowolframaten: Cu Dy5 (W O4)8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","181","185","10.1002/zaac.19956210203","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002665","25.95299","0.005","15.688","0.003","7.804","0.004","90","","90","","90","","3177.4","","","","","","","","","","","","","4","C m m a","-C 2a 2","67","","Tripotassium calcium pentavanadate","","- Ca K3 O15 V5 -","- Ca K3 O15 V5 -","- Ca8 K24 O120 V40 -","8","0.5","","Martin, F - D; Mueller-Buschbaum, Hk","Ein Beitrag zur Kristallchemie der Alkali-Erdalkali-Oxovanadate: Synthese und Struktur von K3 Ca V5 O15","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","243","246","","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002666","8.219","0.002","11.52","0.002","14.284","0.003","90","","90","","90","","1352.5","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Lithium dibarium dicopper copper(III) oxide","","- Ba2 Cu3 Li O6 -","- Ba2 Cu3 Li O6 -","- Ba16 Cu24 Li8 O48 -","8","0.25","","Tams, G; Mueller-Buschbaum, Hk; Lang, Ch","Notiz zur Kristallchemie von Li Ba2 Cu3 O6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","681","683","","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002667","4.7595","0.0005","4.7595","0.0005","9.201","0.002","90","","90","","90","","208.4","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Iron ditantalate","Ferrotapiolite","- Fe O6 Ta2 -","- Fe O6 Ta2 -","- Fe2 O12 Ta4 -","2","0.125","","Peters, E; Mueller-Buschbaum, Hk","Hochtemperatursynthese und Kristallchemie der Oxotantalate (Cr2+)0.761 Ta2.095 O6 und Fe Ta2 O6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","712","716","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002668","4.7476","0.0011","4.7497","0.0015","10.405","0.003","90","","117.152","0.013","90","","208.8","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Chromium tantalum ditantalate (0.8/0.03/1)","","- Cr0.761 O6 Ta2.033 -","- Cr0.755 O6 Ta2.033 -","- Cr1.51 O12 Ta4.066 -","2","0.5","","Peters, E.; Mueller-Buschbaum, Hk.","Hochtemperatursynthese und Kristallchemie der Oxotantalate (Cr2+)0.761 Ta2.095 O6 und Fe Ta2 O6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","712","716","10.1515/znb-1995-0504","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","282193","2023-04-02","08:07:01",""
"2002669","5.0921","0.001","10.6243","0.003","17.8044","0.004","90","","90","","90","","963.2","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Copper cobalt trimolybdate (1.75/2/1)","","- Co2 Cu1.75 Mo3 O12 -","- Co2 Cu1.75 Mo3 O12 -","- Co8 Cu7 Mo12 O48 -","4","0.5","","Szillat, H; Mueller-Buschbaum, Hk","Zur Kenntnis des Oxocuprats (Cu, Co)3.75 Mo3 O12","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","707","711","","","","","","","0.109","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002670","17.94698","0.009","5.092","0.003","10.685","0.005","90","","90","","90","","976.5","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Copper(I) copper zinc molybdat (1/1/1.75/3)","","- Cu2 Mo3 O12 Zn1.75 -","- Cu2 Mo3 O12 Zn1.75 -","- Cu8 Mo12 O48 Zn7 -","4","1","","Szillat, H; Mueller-Buschbaum, Hk","Synthese und Kristallstruktur von (Cu, Zn)3.75 Mo3 O12","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","247","251","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002671","5.162","0.002","10.885","0.004","8.699","0.004","90","","95.73","0.07","90","","486.3","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dicopper ytterbium tris(molybdat)","","- Cu2 Mo3 O12 Yb -","- Cu2 Mo3 O12 Yb -","- Cu4 Mo6 O24 Yb2 -","2","0.5","","Szillat, H; Mueller-Buschbaum, Hk","Zur Kristallchemie eines neuen Oxomolybdats: Cu2 Yb Mo3 O12","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","257","260","","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002672","5.554","0.002","4.916","0.001","21.50998","","90","","93.42","0.03","90","","586.3","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Copper antimony dimolybdate","","- Cu Mo2 O8 Sb -","- Cu Mo2 O8 Sb -","- Cu4 Mo8 O32 Sb4 -","4","0.5","","Szillat, H; Mueller-Buschbaum, Hk","Zur Darstellung und Kristallstruktur eines neuen Kupfer-Antimon- Oxomolybdats: Cu Sb Mo2 O8","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","717","720","","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002673","5.3479","0.0013","5.3479","0.0013","34.48198","0.008","90","","90","","120","","854.1","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Tricopper magnesium antimony oxide (3/1/1.4/6)","","- Cu3 Mg O6 Sb1.4 -","- Cu3 Mg O6 Sb1.4 -","- Cu18 Mg6 O36 Sb8.4 -","6","0.333333","","Szillat, H; Mueller-Buschbaum, Hk","Synthese und Kristallstruktur eines Oxoantimonats mit Verwandtschaft zum Delafossit-Typ: Cu3 Mg Sb1.4 O6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","261","264","","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002674","5.351","0.001","12.891","0.002","19.39098","0.004","90","","90.899","0.014","90","","1337.4","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Copper magnesium barium neodymium molybdenum oxide (0.2/0.8/1/2/4/16)","","- Ba Cu0.22 Mg0.78 Mo4 Nd2 O16 -","- Ba Cu0.22 Mg0.78 Mo4 Nd2 O16 -","- Ba4 Cu0.88 Mg3.12 Mo16 Nd8 O64 -","4","0.5","","Szillat, H; Mueller-Buschbaum, Hk","Ueber das Erdalkalimetall-Lanthanoid-Kupfer-Oxomolybdat (Cu0.22 Mg0.78) Ba Nd2 Mo4 O16","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","577","580","","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002675","5.0562","0.0011","14.546","0.004","19.85799","0.009","90","","86.64","0.05","90","","1458","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Silver tricopper potassium tris(molybdate)","","- Ag Cu3 K Mo4 O16 -","- Ag Cu3 K Mo4 O16 -","- Ag4 Cu12 K4 Mo16 O64 -","4","1","","Szillat, H; Mueller-Buschbaum, Hk","Ueber das Oxomolybdat Ag K Cu3 Mo4 O16 mit Silber in siebenfacher Koordination","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","252","256","","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002676","9.6069","0.0008","9.6069","0.0008","11.513","0.002","90","","90","","120","","920.2","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Sodium tristrontium ruthenate(V)","","- Na O6 Ru Sr3 -","- Na O6 Ru Sr3 -","- Na6 O36 Ru6 Sr18 -","6","0.166667","","Frenzen, S; Mueller-Buschbaum, Hk","Ueber das gemischte alkali-Erdalkali-Oxoruthenat Na Sr3 Ru O6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","581","584","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002677","5.7043","0.0005","5.7043","0.0005","21.25499","","90","","90","","120","","599","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Barium ruthenium manganese oxide (9/3.2/5.8/27)","","- Ba9 Mn5.8 O27 Ru3.2 -","- Ba9 Mn5.7999 O27 Ru3.2001 -","- Ba9 Mn5.7999 O27 Ru3.2001 -","1","0.0277778","","Frenzen, S; Mueller-Buschbaum, Hk","Ueber einen 9 L-Perowskit der Zusammensetzung Ba9 Ru3.2 Mn5.8 O27","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","585","588","","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002678","9.7859","0.0012","6.9939","0.001","5.4391","0.001","90","","90","","90","","372.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Silver cadmium vanadate","","- Ag Cd O4 V -","- Ag Cd O4 V -","- Ag4 Cd4 O16 V4 -","4","0.5","","Muenchau, S; Mueller-Buschbaum, Hk","Zur Kristallchemie eines Silber-Cadmium-Oxovanadats: Ag Cd V O4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","703","706","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002679","12.098","0.003","12.853","0.005","6.688","0.003","90","","112.91","0.03","90","","957.9","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Kalium trimagnesium palladium tris(arsenate(V))","","- As3 K Mg3 O12 Pd -","- As3 K Mg3 O12 Pd -","- As12 K4 Mg12 O48 Pd4 -","4","0.5","","Frerichs, D; Mueller-Buschbaum, Hk","Ueber das erste Oxopalladato-Arsenat: K Mg3 Pd (As O4)3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","867","870","","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002680","8.606","0.0015","7.5953","0.0026","13.6604","0.0067","90","","90","","90","","892.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium potassium copper(I) trimolybdate (0.6/0.4/1/1)","","- Cu K0.4 Mo3 O10 Rb0.6 -","- Cu K0.4 Mo3 O10 Rb0.6 -","- Cu4 K1.6 Mo12 O40 Rb2.4 -","4","0.5","","Szillat, H; Mueller-Buschbaum, Hk","Ein Beitrag zur Synthese und Kristallchemie des AlkalimetallKupfer- Oxomolybdats Rb0.6 K0.4 Cu Mo3 O10","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","875","878","","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002681","6.7973","0.006","8.5751","0.007","9.897","0.006","103.471","0.06","103.687","0.06","101.476","0.06","525","","","","","","","","","","","","","5","P -1","-P 1","2","","Silver copper vanadium molybdenum oxide (0.5/3/0.5/2.5/12)","","- Ag0.5 Cu3 Mo2.5 O12 V0.5 -","- Ag0.5 Cu3 Mo2.5 O12 V0.5 -","- Ag Cu6 Mo5 O24 V -","2","1","","Szillat, H; Mueller-Buschbaum, Hk","Ein Silber-Kupfer-Oxovanadato-Oxomolybdat mit Silber in quadratisch- planarer Koordination: Ag0.5 Cu3 V0.5 Mo2.5 O12","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","879","883","","","","","","","0.099","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002682","5.9213","0.0007","9.065","0.004","6.635","0.002","90","","90","","90","","356.1","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Copper(I) cadmium vanadate","","- Cd Cu O4 V -","- Cd Cu O4 V -","- Cd4 Cu4 O16 V4 -","4","0.25","","Feldmann, J; Muenchau, S; Mueller-Buschbaum, Hk","Kristallstrukturuntersuchung des Kupfer-Cadmium-Oxovanadats Cu Cd V O4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","871","874","","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002717","4.7344","0.0006","4.7344","0.0006","3.0504","0.0002","90","","90","","90","","68.4","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Titanium tantalum(IV) oxide (0.33/0.67/2)","","- O2 Ta0.67 Ti0.33 -","- O2 Ta0.6667 Ti0.3333 -","- O4 Ta1.3334 Ti0.6666 -","2","0.125","","Peters, E; Mueller-Buschbaum, Hk","Ein Titan-Tantaloxid mit Ti(II): Ti0.33 Ta0.67 O2 (Ti Ta2 O6)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1167","1170","","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002718","9.945","0.002","9.945","0.002","2.915","0.003","90","","90","","90","","288.3","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Bismuth copper vanadium oxide (1.9/4/4/16)","","- Bi1.9 Cu4 O16 V4 -","- Bi1.9 Cu4 O16 V4 -","- Bi1.9 Cu4 O16 V4 -","1","0.0625","","Feldmann, J; Mueller-Buschbaum, Hk","Kristallstrukturuntersuchung an einem wismuthaltigen Hollandit: Bi1.9 Cu4 V4 O16","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1163","1166","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002719","12.417","0.005","12.983","0.006","6.911","0.003","90","","113.02","0.03","90","","1025.4","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Cadmium copper magnesium lead vanadium oxide (1/1.5/1.5/0.5/3/12)","","- Cd Cu1.5 Mg1.5 O12 Pb0.5 V3 -","- Cd Cu1.5 Mg1.5 O12 Pb0.5 V3 -","- Cd4 Cu6 Mg6 O48 Pb2 V12 -","4","0.5","","Muenchau, S; Mueller-Buschbaum, Hk","Synthese und Kristallstruktur einer mit dem Johillerit verwandten Verbindung Cd Cu1.5 Mg1.5 Pb0.5 V3 O12","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1158","1162","","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002720","10.385","0.002","10.385","0.002","10.385","0.002","90","","90","","90","","1120","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Tantalum titanium samarium oxide (0.66/1.34/2/7)","","- O7 Sm2 Ta0.66 Ti1.34 -","- O7 Sm2 Ta0.66 Ti1.34 -","- O56 Sm16 Ta5.28 Ti10.72 -","8","0.0416667","","Peters, E; Mueller-Buschbaum, Hk","Synthese eines Pyrochlors mit Ti(II): (Ta0.67 Ti0.33)2 Sm2 O7","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1340","1342","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002721","7.813","0.003","11.72","","11.58","","90","","109.36","0.03","90","","1000.4","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dicerium tris(tungstate)","","- Ce2 O12 W3 -","- Ce2 O12 W3 -","- Ce8 O48 W12 -","4","0.5","","Gressling, T; Mueller-Buschbaum, Hk","Zur Kristallstruktur von Ce2 (W O4)3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1513","1516","","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002722","5.278","0.002","12.66","","19.59999","0.01","90","","92.76","0.06","90","","1308.1","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Copper digadolinium potassium tetrakis(molybdate)","","- Cu Gd2 K Mo4 O16 -","- Cu Gd2 K Mo4 O16 -","- Cu4 Gd8 K4 Mo16 O64 -","4","0.5","","Mueller-Buschbaum, Hk; Gallinat, S","Synthese und Roentgenstrukturanalyse von K Cu Gd2 Mo4 O16 und K Cu Tb2 Mo4 O16","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1794","1798","","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002723","5.2592","0.0013","12.616","0.003","19.556","0.009","90","","92.93","0.04","90","","1295.8","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Copper potassium diterbium tetrakis(molybdate)","","- Cu K Mo4 O16 Tb2 -","- Cu K Mo4 O16 Tb2 -","- Cu4 K4 Mo16 O64 Tb8 -","4","0.5","","Mueller-Buschbaum, Hk; Gallinat, S","Synthese und Roentgenstrukturanalyse von K Cu Gd2 Mo4 O16 und K Cu Tb2 Mo4 O16","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1794","1798","","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002733","7.137","0.001","7.137","0.001","10.017","0.002","90","","90","","120","","441.9","","","","","","","","","","","","","3","P 32 2 1","P 32 2""","154","","Trimercury dioxide chromate(V)","","- Cr Hg3 O6 -","- Cr Hg3 O6 -","- Cr3 Hg9 O18 -","3","0.5","","Hansen, T; Mueller-Buschbaum, Hk; Walz, L","Einkristallroentgenstrukturanalyse an Quecksilberchromat(VI): Hg3 O2 Cr O4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","47","50","","","","","","","0.0768","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002734","5.7666","0.0012","5.7666","0.0012","15.2614","0.0007","90","","90","","90","","507.5","","","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","Tetrabarium lithium copper tetraoxide bis(carbonate)","","- Ba4 Cu Li O10 -","- C2 Ba4 Cu Li O10 -","- C4 Ba8 Cu2 Li2 O20 -","2","0.125","","Tams, G; Mueller-Buschbaum, Hk","Synthese und Roentgenstrukturanalyse von Ba4 Li Cu O4 (C O3)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","56","60","","","","","","","0.1468","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002735","6.757","0.0015","8.155","0.002","9.816","0.002","106.053","0.013","104.401","0.009","102.093","0.014","480.4","","","","","","","","","","","","","4","P 1","P 1","1","","Sodium triiron trivanadium dodecaoxide","","- Fe3 Na O12 V3 -","- Fe3 Na O12 V3 -","- Fe6 Na2 O24 V6 -","2","2","","Martin, F-D; Mueller-Buschbaum, Hk","Eine synthetische Spezies zum Mineral Howardevansit mit Eisen anstelle von Kupfer: Na Fe3 V3 O12","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","51","55","","","","","","","0.0813","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002736","9.4986","0.0009","9.4986","0.0009","6.9436","0.0015","90","","90","","120","","542.5","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Tetraneodymium manganese tris(silicate) oxide","","- Mn Nd4 O13 Si3 -","- Mn Nd4 O13 Si3 -","- Mn2 Nd8 O26 Si6 -","2","0.166667","","Kluever, E; Mueller-Buschbaum, Hk","Ueber einen Lanthanoid-Mangan-Apatit: Nd4 Mn (Si O4)3 O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","61","65","","","","","","","0.0632","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002737","6.929","0.004","16.24599","0.003","7.26","0.008","90","","115.82","0.06","90","","735.7","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Distrontium oxovanadium divanadate","","- O9 Sr2 V3 -","- O9 Sr2 V3 -","- O36 Sr8 V12 -","4","0.5","","Feldmann, J; Mueller-Buschbaum, Hk","Kristallstrukturuntersuchung an einem Strontium-Vanadyl-Vanadat: Sr2 (V O) V2 O8","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","43","46","","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002801","9.821","0.00037","7.4355","0.00031","6.7344","0.00027","90","","90","","90","","491.8","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Barium strontium dilanthanoberyllate (0.5/0.5/1)","","- Ba0.5 Be La2 O5 Sr0.5 -","- Ba0.5 Be La2 O5 Sr0.5 -","- Ba2 Be4 La8 O20 Sr2 -","4","0.5","","Rettich, R; Mueller-Buschbaum, Hk","Ein Beitrag ueber die Verbindung Ca Be Nd2 O5 und Phasen der Zusammensetzung M(1-x) M'(x) Be Ln2 O5 (M=Ca, Ba; M'=Sr; x=0.5)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","562","566","10.1002/zaac.19956210412","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002802","9.352","","7.0161","","6.3748","","90","","90","","90","","418.3","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Calcium strontium didysprosoberyllate (0.5/0.5/1)","","- Be Ca0.5 Dy2 O5 Sr0.5 -","- Be Ca0.5 Dy2 O5 Sr0.5 -","- Be4 Ca2 Dy8 O20 Sr2 -","4","0.5","","Rettich, R; Mueller-Buschbaum, Hk","Ein Beitrag ueber die Verbindung Ca Be Nd2 O5 und Phasen der Zusammensetzung M(1-x) M'(x) Be Ln2 O5 (M=Ca, Ba; M'=Sr; x=0.5)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","562","566","10.1002/zaac.19956210412","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002803","9.4483","","7.1548","","6.4834","","90","","90","","90","","438.3","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Calcium dineodymoberyllate","","- Be Ca Nd2 O5 -","- Be Ca Nd2 O5 -","- Be4 Ca4 Nd8 O20 -","4","0.5","","Rettich, R; Mueller-Buschbaum, Hk","Ein Beitrag ueber die Verbindung Ca Be Nd2 O5 und Phasen der Zusammensetzung M(1-x) M'(x) Be Ln2 O5 (M=Ca, Ba; M'=Sr; x=0.5)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","562","566","10.1002/zaac.19956210412","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002901","4.515","0.001","9.503","0.003","11.618","0.002","90","","90.33","0.01","90","","498.5","0.2","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Lead diselenite","Lead diselenate(IV)","","- O5 Pb Se2 -","- O5 Pb Se2 -","- O20 Pb4 Se8 -","4","1","AB1172","Jussi Valkonen","Lead Diselenite","Acta Crystallographica Section C","1995","51","1","1","3","10.1107/S0108270194005093","","","0.71073","MoKα","","","0.034","","","0.043","","","","","0.53","0.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002902","18.0105","0.0012","4.2413","0.0003","30.66","0.002","90","","93.297","0.005","90","","2338.2","0.3","150","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H42 S3 -","- C21 H42 S3 -","- C84 H168 S12 -","4","2","","Veldman, Nora; Spek, Anthony L.; Edema, Jilles J. H.; Kellogg, Richard M.","2,4,6-Trihexyl-1,3,5-trithiane","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","88","91","10.1107/s0108270194008115","","","0.71073","MoKα","","","0.0694","","0.1768","0.1286","","","","0.921","1.143","1.143","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2002903","13.044","0.003","6.847","0.002","9.465","0.004","90","","98.46","0.03","90","","836.1","0.5","294","2","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C7 H13 N O2 -","- C7 H13 N O2 -","- C28 H52 N4 O8 -","4","1","","Larsen, Ingrid Kjoller; Trickey, Peter","Cyclohexanecarbohydroxamic Acid","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","125","127","10.1107/S0108270194008413","","","0.71073","MoKα","","","0.0546","","0.2005","0.1446","","","","0.94","0.97","0.97","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2002904","8.677","0.002","9.438","0.002","13.504","0.003","90","","96.45","0.03","90","","1098.9","0.4","130","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10 Br Cl O2 -","- C10 H10 Br Cl O2 -","- C40 H40 Br4 Cl4 O8 -","4","2","","Shaw, Joanne P.; Tan, Eng Wui; Blackman, Allan G.","Homochiral Methyl (2R,3S)-2-Chloro-3-bromo-3-phenylpropanoate","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","134","135","10.1107/S0108270194008218","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2002905","15.783","0.002","5.458","0.001","9.586","0.001","90","","104.97","0.01","90","","797.7","0.2","173","1","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Kopf, Jürgen; Schulz, Stefan","(1'R,2S,3R)-2-Hydroxy-2-(1-hydroxyethyl)-3-methyl-γ-butyrolactone","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","84","86","10.1107/s010827019400819x","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2002941","4.6","0.003","10.041","0.001","24.835","0.0003","90","","90","","90","","1147.1","0.8","123","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 N3 O4 -","- C11 H17 N3 O4 -","- C44 H68 N12 O16 -","4","1","","Napper, Scott; Stuart, Allan L.; Kumar, Sashi V. P.; Gupta, V. Sagar; Delbaere, Louis T. J.","5-Ethyl-2'-deoxycytidine, C~11~H~17~N~3~O~4~","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","96","98","10.1107/s0108270194005330","","","0.7093","MolybdenumKα","","","","","","","","","","","","","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2002969","21.937","0.008","15.327","0.003","6.924","0.001","90","","90","","90","","2328","2","296","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","1","","Jerry P. Jasinski; Richard C. Woudenberg","7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms","Acta Crystallographica Section C","1995","51","","107","109","","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002970","8.779","0.002","22.042","0.005","6.043","0.002","90","","90","","90","","1169.3","0.8","296","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","","Jerry P. Jasinski; Richard C. Woudenberg","7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms","Acta Crystallographica Section C","1995","51","","107","109","","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003167","8.2116","0.0007","11.229","0.001","7.5178","0.0009","108.507","0.008","113.336","0.007","73.187","0.007","592.9","0.1","294","","294","","","","","","","","","4","P -1","-P 1","2","Vanadyl bis(acetylacetonate)","Bis(2,4-pentanedionato)oxovanadium(IV)","","- C10 H14 O5 V -","- C10 H14 O5 V -","- C20 H28 O10 V2 -","2","1","FG1025","Shuter, Edward; Rettig, Steven J.; Orvig, Chris","Bis(2,4-pentanedionato)oxovanadium(IV), a Redetermination","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","12","14","10.1107/S0108270194010462","","","0.7107","MoKα","","0.149","0.037","","0.041","0.035","","","","","1.87","1.87","","","","","has coordinates","209636","2020-10-21","18:00:00",""
"2003168","10.563","0.002","10.603","0.003","12.25","0.003","97.68","0.04","99.34","0.03","93.11","0.02","1337.6","0.5","293","","","","","","","","","","","8","P 1","P 1","1","","","","- C48 H38 Cl4 F6 Mn N5 O5 P6 -","- C48 H38 Cl4 F6 Mn N5 O5 P6 -","- C48 H38 Cl4 F6 Mn N5 O5 P6 -","1","1","","Carriedo, Gabino A.; Fernández, Lucia; Gómez, Paloma; Garcia-Granda, Santiago; Velázquez, Amador Menéndez","cis-trans-[{N~3~P~3~Cl~4~(C~6~H~5~)(PPh~2~)}Mn(CO)~2~(bipy) {P(OPh)~3~}]PF~6~. A Cationic Manganese‒Carbonyl Complex with a Phosphazenylphosphine Ligand","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","20","23","10.1107/s0108270194006943","","","0.71073","MoKα","","","0.0442","","0.1144","0.1082","","","","0.957","1.112","1.112","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2003169","12.674","0.003","20.023","0.004","11.494","0.003","90","","96.11","0.02","90","","2900.3","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","31-phenyl-13,16,19,22,25-pentoxa-2,6,31-diazaphosphatetracyclo [24,4,0,1^2,6^,0^7,12^]hentriaconta-1(26),7,9,11,27,29-hexene-31-sulfide","","- C29 H35 N2 O5 P S -","- C29 H35 N2 O5 P S -","- C116 H140 N8 O20 P4 S4 -","4","1","HU1098","Van Oostenryck, Luc; Tinant, Bernard; Declercq, Jean-Paul; Dutasta, Jean-Pierre","A Macrobicyclic Thiophosphonamide Polyether Ligand","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","80","84","10.1107/S0108270194003914","","","0.71069","MolybdenumKα","","0.0671","0.0487","","0.1386","0.1306","","","","1.061","1.176","1.176","","","","","has coordinates","269316","2021-09-26","23:26:47",""
"2003170","16.791","0.012","15.927","0.011","10.922","0.006","90","","100.31","0.05","90","","2873.7","3.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","31-phenyl-13,16,19,22,25-pentoxa-2,6,31-diazaphosphatetracyclo [24,4,0,1^2,6^,0^7,12^]hentriaconta-1(26),7,9,11,27,29-hexene-31-sulfide","","- C29 H35 N2 O5 P S -","- C32 N2 O6 P S -","- C128 N8 O24 P4 S4 -","4","1","HU1098","Van Oostenryck, Luc; Tinant, Bernard; Declercq, Jean-Paul; Dutasta, Jean-Pierre","A Macrobicyclic Thiophosphonamide Polyether Ligand","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","80","84","10.1107/S0108270194003914","","","0.71069","MolybdenumKα","","0.086","0.056","","0.1607","0.1511","","","","1.063","1.19","1.19","","","","","has coordinates","269316","2021-09-26","23:26:48",""
"2003171","6.4","0.001","10.767","0.001","11.203","0.002","91.62","0.01","91.34","0.02","102.2","0.2","753.9","0.2","295","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 N2 O3 -","- C15 H23 N2 O3 -","- C30 H46 N4 O6 -","2","1","KA1059","Tomasz A. Olszak; Piotr H. Sobczynski; Andrzej M. Brzozowski; Mieczyslaw J. Grabowski; Krzysztof Gwozdzinski","Piperidine Nitroxide Radicals with Heterocyclic Ring Substituents. 4-Hydroxy-2,2,6,6-tetramethyl-4-(2-pyridylmethyl 1-oxide)piperidine 1-Oxide","Acta Crystallographica C","1995","51","1","121","123","10.1107/S0108270194007791","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2003172","16.15","0.006","16.842","0.009","19.599","0.007","69.02","0.05","80.85","0.04","70.91","0.06","4698","","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C54 H54 O12 -","- C54 H54 O12 -","- C216 H216 O48 -","4","2","PA1110","Khrifi, Saad; Guelzim, Abdelhalim; Baert, Francois; Mussrabi, Mamoun; Asfari, Zouhair; Vicens, Jacques","7,15,23-Triphenyl-25,26,27-triethylester-2,3,10,11,18,19-hexahomo-3,9,11-trioxacalix[3]arene in a Partial-Cone Conformation","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","153","157","10.1107/s0108270194008036","","","0.71063","MoKα","","","0.059","","","0.059","","","","","","","","","","","has coordinates","218378","2020-10-21","18:00:00",""
"2003175","8.6439","0.0004","19.5142","0.0007","10.5033","0.0004","90","","101.723","0.004","90","","1734.74","0.12","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","PA1117","Piotr K. Olszewski; Katarzyna Stadnicka","Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System","Acta Crystallographica C","1995","51","1","98","103","10.1107/S0108270194007742","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003176","8.989","0.003","9.6878","0.0011","41.67","0.004","90","","90","","90","","3628.8","1.3","293","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N3 O -","- C22 H21 N3 O -","- C176 H168 N24 O8 -","8","1","","Olszewski, Piotr K.; Stadnicka, Katarzyna","Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","98","103","10.1107/S0108270194007742","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2003178","8.5143","0.0007","11.8171","0.0006","14.752","0.0009","90","","90","","90","","1484.3","0.2","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 S -","- C16 H17 N O3 S -","- C64 H68 N4 O12 S4 -","4","1","","Gosselin, P.; Bonfand, E.; Maignan, C.; Retoux, R.","The Diels-Alder Adduct of an Enantiopure 2-Sulfinyldiene and Maleimide: (1S,2R,3S,R~s~)-3-Methyl-5-p-toluenesulfinylcyclohex-4-en-1,2-dicarboximide","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","94","96","10.1107/S0108270194007304","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2003179","5.607","0.002","10.954","0.003","27.452","0.015","90","","90","","90","","1686.1","1.1","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Chiaroni, Angèle; Deyine, Abdallah; Griffard-Brunet, Dominique; Langlois, Nicole; Riche, Claude","(3aS,3bR,6R,7aR)-2-Benzyl-1,2,3a,3b,4,7a-hexahydro-6-phenyl-3,5-dioxa- 2,6a-diazacyclopenta[a]pentalen-7-one","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","91","93","10.1107/S0108270194007316","","","1.5418","CuKα","","","0.037","","","0.052","","","","","1.04","1.04","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2003180","13.665","0.001","14.68","0.002","19.539","0.002","94.965","0.006","104.131","0.007","90.482","0.008","3784.9","0.7","193","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H11 Cl3 O4 -","- C68 H11 Cl3 O4 -","- C272 H44 Cl12 O16 -","4","2","SE1063","E. F. Paulus; C. Bingel","Diethyl Methano-C~60~-fullerene-61,61-dicarboxylate Chloroform Solvate at 193 K, C~60~C(CO~2~C~2~H~5~)~2~.CHCl~3~","Acta Crystallographica C","1995","51","1","143","146","10.1107/S0108270194009728","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003181","16.492","0.004","9.483","0.003","7.025","0.002","90","0.02","90","0.02","90","0.02","1098.7","0.5","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Luger, Peter; Weber, Manuela; Dung, Nguyen Xuan; Ky, Pham Thanh; Long, Phan Ke","Securinine, an Alkaloid from Fluggea virosa","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","127","129","10.1107/S0108270194007857","","","1.5418","CuKα","","","0.036","","0.029","0.026","","","","1.604","1.717","1.717","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2003182","3.4603","0.0005","6.1972","0.0009","9.548","0.002","90","","103.47","0.01","90","","199.12","0.06","300","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 Ag2 O4 -","- C2 Ag2 O4 -","- C4 Ag4 O8 -","2","0.5","VS1014","Dmitry Yu. Naumov; Alexander V. Virovets; Nina V. Podberezskaya; Elena V. Boldyreva","Silver Oxalate, 2Ag^+^.C~2~O~4~^2-^","Acta Crystallographica C","1995","51","1","60","62","10.1107/S0108270194008188","","","1.54178","CuKα","","","0.0259","","0.0541","0.0519","","","","1.129","1.188","1.188","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003183","8.785","0.002","11.233","0.002","14.555","0.003","72.47","0.01","84.54","0.01","69.54","0.01","1283.1","0.5","153","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 N4 O7 Pd S -","- C28 H16 N4 O8 Pd S2 -","- C56 H32 N8 O16 Pd2 S4 -","2","1","","Törnroos, Karl W.","A Dinitrato(diphenylphenanthroline)palladium(II) Complex","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","238","242","10.1107/S0108270194008887","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003184","9.325","0.001","11.474","0.002","17.418","0.003","90","","90","","90","","1863.6","0.5","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Lewinski, Krzysztof; Nitek, Wojciech; Oleksyn, Barbara J.; Stec, Boguslaw","Quitenine Ethyl Ester","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","282","285","10.1107/S0108270194010243","","","1.54178","CuKα","","","0.0335","","0.0946","0.0914","","","","1.029","1.045","1.045","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003185","9.685","0.003","7.128","0.002","13.572","0.004","90","","99.78","0.02","90","","923.3","0.5","293","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C7 H9 F3 N2 O2 -","- C7 H9 F3 N2 O2 -","- C28 H36 F12 N8 O8 -","4","1","","Tinant, Bernard; Declercq, Jean-Paul; Bouillon, Jean-Philippe","Oxime of 1-Methyl-3-trifluoroacetylpyrrolidin-2-one","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","270","272","10.1107/S0108270194010930","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003186","8.189","0.003","5.047","0.001","11.305","0.005","90","","96.12","0.02","90","","464.6","0.5","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H13 N3 O3 -","- C7 H13 N3 O3 -","- C14 H26 N6 O6 -","2","1","AS1117","Puliti, Raffaella; Mattia, Carlo Andrea","N-Acetylglycyl-L-alaninamide and N-Acetyl-L-alanyl-L-alaninamide","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","336","339","10.1107/s0108270194008577","","","1.54056","CuKα","","","0.03","","","0.033","","","","","","","","","","","has coordinates","218377","2020-10-21","18:00:00",""
"2003187","5.5005","0.0004","9.429","0.001","20.712","0.002","90","","90","","90","","1074.2","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 N3 O3 -","- C8 H15 N3 O3 -","- C32 H60 N12 O12 -","4","1","AS1117","Puliti, Raffaella; Mattia, Carlo Andrea","N-Acetylglycyl-L-alaninamide and N-Acetyl-L-alanyl-L-alaninamide","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","336","339","10.1107/s0108270194008577","","","1.54056","CuKα","","","0.036","","","0.04","","","","","0.97","0.97","","","","","has coordinates","218377","2020-10-21","18:00:00",""
"2003188","10.3118","0.0007","11.5912","0.0006","7.1818","0.0006","90","","90","","90","","858.41","0.08","293","","20","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl N O3 -","- C6 H11 Cl N O3 -","- C24 H44 Cl4 N4 O12 -","4","1","AS1139","Jones, Graham P.; Paleg, Leslie G.; Waisel, Yoav; Solomon, Aaron; Beer, Sven; Tiekink, Edward R. T.","trans-3-Hydroxy-N-methyl-L-proline Hydrochloride","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","287","289","10.1107/S0108270194009431","","","1.5418","CuKα","","","0.05","","","0.059","","","","","4.25","4.25","","","","","has coordinates","209634","2020-10-21","18:00:00",""
"2003189","9.347","0.008","4.772","0.007","12.967","0.005","90","","90.49","0.05","90","","578.3","0.8","23","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H16 N4 O5 -","- C9 H16 N4 O5 -","- C18 H32 N8 O10 -","2","1","","Delaere, Ian M.; Tate, Max E.; Jones, Graham P.; Tiekink, Edward R. T.","N-γ-L-Glutamyl-β-cyano-L-alanine, an Antinutritional Factor ex Vicia sativa L., as its Ammonium Salt","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","289","291","10.1107/S0108270194009443","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003190","20.503","0.003","13.436","0.002","22.916","0.004","90","","112.357","0.014","90","","5838.3","1.6","295","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H39 Cl Sn -","- C30 H39 Cl Sn -","- C240 H312 Cl8 Sn8 -","8","1","BK1044","Wharf, I.; Simard, M. G.; McGinn, K.","Tris(4-tert-butylphenyl)chlorotin(IV)","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","236","238","10.1107/S010827019400987X","","","1.5418","CuKα","","","0.051","","","0.054","","","","","2.94","2.94","","","","","has coordinates","209641","2020-10-21","18:00:00",""
"2003191","9.415","0.002","11.539","0.003","13.388","0.002","72.18","0.01","79.37","0.01","76.9","0.03","1338.2","0.5","294","","294","","","","","","","","","6","P -1","-P 1","2","","(η^5^-Cyclopentadienyl)[η^2^-diphenyl(o-phenylene)methyl] oxo(trimethylsilylmethylthio)tungsten(VI)","","- C29 H32 O S Si W -","- C29 H32 O S Si W -","- C58 H64 O2 S2 Si2 W2 -","2","1","BK1047","Brunet, Nathalie; Legzdins, Peter; Trotter, James; Yee, Vivien C.","(η5-Cyclopentadienyl)[2-(1,1-diphenylethyl-C^2^)phenyl-C^1^]oxo (trimethylsilylmethylthio)tungsten, [WO(C~4~H~11~SSi)(C~5~H~5~)(C~20~H~16~)]","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","193","195","10.1107/S0108270194007079","","","0.7093","MolybdenumKα~1~","","0.04","0.027","","0.032","0.032","","","","","1.25","1.25","","","","","has coordinates","190981","2020-10-21","18:00:00",""
"2003192","7.889","0.001","19.49","0.003","8.559","0.001","90","","101.7","0.01","90","","1288.7","0.6","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C56 H88 O12 -","4","1","","Park, Kwangyong; Swenson, Dale C.; Scott, William J.; Wiemer, David F.","(1β,5α,6β)-10,10-(1,2-Ethylenedioxy)-1,5-di-methylbicyclo [4.4.0]decan-4-one","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","268","270","10.1107/S0108270194008759","","","0.71073","MoKα","","","0.046","","","0.072","","","","","1.43","1.43","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2003193","26.377","0.004","8.297","0.002","9.994","0.002","90","","90","","90","","2187.2","0.8","298","","","","","","","","","","","4","P b c a","","","","","","- C9 H15 O5 P -","- C9 H15 O5 P -","- C72 H120 O40 P8 -","8","1","","Lane, Thomas M.; Rodriguez, Oscar P.; Sommese, Anthony G.; Cremer, Sheldon E.; Bennett, Dennis W.","cis-6-Methoxycarbonyl-2,10-dioxa-1-phosphabicyclo[4.4.0]decane 1-Oxide","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","251","253","10.1107/S0108270194008607","","","0.71069","MoKα","","","0.034","","","0.055","","","","","2.55","2.55","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003195","10.0416","0.0004","8.0285","0.0003","4.8553","0.0002","90","","90","","90","","391.43","0.04","298","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- As Be H2 Li O5 -","- As Be H2 Li O5 -","- As4 Be4 H8 Li4 O20 -","4","1","","Harrison, William T. A.; Gier, Thurman E.; Stucky, Galen D.","Lithium Berylloarsenate Hydrate, LiBeAsO~4~.H~2~O","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","181","183","10.1107/S0108270194010061","","","1.54178","CopperKα","","","","","","","","","","","","","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003196","10.026","0.004","9.23","0.003","16.943","0.007","90","","97.3","0.03","90","","1555.2","1","173","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N5 O -","- C17 H17 N5 O -","- C68 H68 N20 O4 -","4","1","","Lynch, Vincent M.; Hulme, Christopher; Magnus, Philip; Davis, Brian E.","Novel N-Acyl α-Azidopyrrolidines (N-Acyliminium-Ion Precursors)","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","262","265","10.1107/S0108270194005676","","","0.71073","MoKα","","","0.0489","","0.0575","0.0499","","","","","1.329","1.329","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2003197","10.198","0.002","18.087","0.003","10.232","0.002","90","","119.77","0.01","90","","1638.2","0.6","173","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N7 O4 -","- C14 H17 N7 O4 -","- C56 H68 N28 O16 -","4","1","","Lynch, Vincent M.; Hulme, Christopher; Magnus, Philip; Davis, Brian E.","Novel N-Acyl α-Azidopyrrolidines (N-Acyliminium-Ion Precursors)","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","262","265","10.1107/S0108270194005676","","","0.71073","MoKα","","","0.04","","0.0473","0.0411","","","","","1.213","1.213","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2003198","7.058","0.007","18.962","0.007","17.05","0.02","90","","90.92","0.09","90","","2281","2","273.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H30 Cl3 N2 O Re S2 -","- C15 H30 Cl3 N2 O Re S2 -","- C60 H120 Cl12 N8 O4 Re4 S8 -","4","1","FG1012","Trevor W. Hambley; Robert K. Knott; Timothy W. Jackson; Masaharu Kojima; Richard M. Lambrecht","[3,10-Diethyl-5,8-diazadodecane-3,10-dithiolato-(3-)-N,N',S,S']oxorhenium(IV) Chloroform Solvate","Acta Crystallographica C","1995","51","2","203","205","10.1107/S0108270194007651","","","0.7109","MoKα","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003199","5.166","0.002","20.282","0.002","15.513","0.003","90","","96.41","0.03","90","","1615.2","0.5","294","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H16 O7 -","- C20 H16 O7 -","- C80 H64 O28 -","4","2","","Chan, Simon; Trotter, James","Aversin","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","272","274","10.1107/S0108270194010589","","","1.5418","CuKα","","","0.063","","0.085","0.079","","","","","1.47","1.47","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003200","4.533","0.001","16.537","0.003","12.687","0.003","90","","97.22","0.03","90","","943.5","0.3","569","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N O -","- C13 H9 N O -","- C52 H36 N4 O4 -","4","1","","Potts, Graham D.; Jones, William","9(10H)-Acridone","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","267","268","10.1107/S0108270194008565","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003201","11.061","0.001","12.171","0.001","14.334","0.002","95.2","0.008","92.094","0.009","105.191","0.008","1851","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","trans-bromo-ortho-tolyl-bis(triphenylphosphine)palladium(II)","","- C43 H37 Br P2 Pd -","- C43 H37 Br P2 Pd -","- C86 H74 Br2 P4 Pd2 -","2","1","HA1125","Cross, Ronald J.; Kennedy, Alan R.; Muir, Kenneth W.","trans-Bromo(o-tolyl)bis(triphenylphosphine)palladium(II) from Crystals With and Without Stacking Faults","Acta Crystallographica Section C","1995","51","2","208","210","10.1107/S0108270194009042","","","0.71073","MoKα","","","0.051","","","0.054","","","","","1.7","1.7","","","","","has coordinates","175111","2020-10-21","18:00:00",""
"2003202","11.0691","0.0004","12.1779","0.0011","14.338","0.0007","95.161","0.006","92.072","0.004","105.199","0.006","1854","0.2","299","","299","","","","","","","","","5","P -1","-P 1","2","","trans-bromo-ortho-tolyl-bis(triphenylphosphine)palladium(II)","","- C43 H37 Br P2 Pd -","- C43 H37 Br P2 Pd -","- C86 H74 Br2 P4 Pd2 -","2","1","HA1125","Cross, Ronald J.; Kennedy, Alan R.; Muir, Kenneth W.","trans-Bromo(o-tolyl)bis(triphenylphosphine)palladium(II) from Crystals With and Without Stacking Faults","Acta Crystallographica Section C","1995","51","2","208","210","10.1107/S0108270194009042","","","0.71073","MoKα","","","0.06","","","0.095","","","","","3.6","3.6","","","","","has coordinates","175111","2020-10-21","18:00:00",""
"2003203","9.446","0.001","10.817","0.003","15.1","0.002","90","","101.16","0.01","90","","1513.7","0.5","247","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N2 O4 -","- C14 H20 N2 O4 -","- C56 H80 N8 O16 -","4","1","","Numan, Milco; Schenk, Henk; Döpp, Dietrich","1,5-Di-tert-butyl-2,4-dinitrobenzene, C~14~H~20~N~2~O~4~","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","260","262","10.1107/S010827019400836X","","","1.5418","CuKα","","","0.07","","","0.087","","","","","0.235","0.235","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003204","11.453","0.002","12.119","0.002","17.444","0.004","90","","90","","90","","2421.2","0.8","295","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Cd N2 O5 -","- C12 H10 Cd N2 O5 -","- C96 H80 Cd8 N16 O40 -","8","1","","Clegg, William; Cressey, Jonathan T.; McCamley, Andrew; Straughan, Brian P.","The Polymeric Structure of Aquacadmium Bisnicotinate","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","234","235","10.1107/S0108270194007249","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2003205","8.161","0.001","8.222","0.001","23.113","0.002","93.46","0.02","96.88","0.02","113.43","0.02","1402.8","0.3","293","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","2","KA1091","B. Satish Goud; Kaliyamoorthy Panneerselvam; David E. Zacharias; Gautam R. Desiraju","4,6-Dimethyl-2-(4-nitrobenzylidene)-3(2H)-benzofuranone","Acta Crystallographica C","1995","51","2","265","267","10.1107/S0108270194007973","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003206","13.579","0.003","11.107","0.002","8.299","0.001","90","","105.9","0.01","90","","1203.8","0.8","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 F4 N2 O -","- C13 H8 F4 N2 O -","- C52 H32 F16 N8 O4 -","4","1","LI1120","R. E. Banks; W. J. Jondi; R. G. Pritchard; A. E. Tipping","(E)-Acetophenone O-(3,4,5,6-Tetrafluoro-2-pyridyl)oxime, Formed by 2-Substitution of Pentafluoropyridine by (E)-Acetophenone Oximate","Acta Crystallographica C","1995","51","2","293","295","10.1107/S0108270194009133","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003208","9.958","0.003","9.961","0.004","12.978","0.006","90","0.03","90","0.03","90","0.03","1287.3","0.9","294","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O -","- C15 H24 O -","- C60 H96 O4 -","4","1","","Mukherjee, Monika; Mukherjee, Alok K.; Das, Sarbani; Mukherjee, Debabrata; Helliwell, Madeleine","(±)-7,7,9β-Trimethyl-6(αH)-cis-tricyclo[6.3.1.0^1,6^]dodecan-2-one","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","280","282","10.1107/S0108270194008632","","","1.5418","CuKα","","","0.0502","","0.1312","0.1217","","","","0.874","0.841","0.841","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003209","8.582","0.002","8.996","0.002","15.357","0.003","94.9","0.01","93.27","0.01","117.59","0.01","1040","1","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H27 N3 O3 -","- C24 H27 N3 O3 -","- C48 H54 N6 O6 -","2","1","","Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene","Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","246","249","10.1107/S0108270194005846","","","0.71069","MoKα","","","0.038","","","0.05","","","","","2.23","2.23","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003210","15.518","0.002","16.427","0.002","8.46","0.001","90","","90","","90","","2157","2","293","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H27 N3 O3 -","- C24 H27 N3 O3 -","- C96 H108 N12 O12 -","4","1","","Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene","Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","246","249","10.1107/S0108270194005846","","","1.5418","CuKα","","","0.027","","","0.036","","","","","1.88","1.88","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003211","8.175","0.001","10.15","0.002","11.254","0.001","83.28","0.01","81.07","0.01","74.3","0.01","885.3","0.2","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H42 Cl14 N6 Pb -","- C12 H42 Cl14 N6 Pb -","- C12 H42 Cl14 N6 Pb -","1","0.5","MU1117","Marcus Geselle; Hartmut Fuess","Hexakis(2-chloroethylammonium) Hexachloroplumbate(II) Chloride","Acta Crystallographica C","1995","51","2","242","244","10.1107/S0108270194009583","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003212","11.144","0.003","15.667","0.004","13.048","0.005","90","","96.32","0.03","90","","2264.2","1.2","140","2","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C40 H24 Cl2 Ir6 O14 P2 -","- C40 Cl2 Ir6 O14 P2 -","- C80 Cl4 Ir12 O28 P4 -","2","0.5","","Mazzanti, Marinella; Roulet, Raymond; Schenk, Kurt J.","Bis(diphenylphosphino)methanetetradecacarbonylhexairidium Dichloromethane Solvate","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","217","219","10.1107/S010827019400569X","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003213","9.197","0.002","17.323","0.004","25.841","0.007","90","","90","","90","","4117","2","293","2","","","","","","","","","","6","P 21 c n","P -2n 2a","33","","","","- C36 H48 Cl5 N2 P2 Re -","- C39 H37 Cl5 N2 P2 Re -","- C156 H148 Cl20 N8 P8 Re4 -","4","1","","Masciocchi, Norberto; Moret, Massimo; Ardizzoia, G. Attilio; La Monica, Girolamo","[ReCl~3~(C~8~H~11~P)~2~(C~7~H~11~N)~2~].C~6~H~4~Cl~2~","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","201","203","10.1107/s0108270194007420","","","0.71073","MoKα","","","0.045","","","0.112","","","","","1.101","1.101","","","","","has coordinates","249493","2020-10-21","18:00:00",""
"2003214","10.3254","0.0003","11.2915","0.0002","25.0237","0.0005","85.981","0.003","80.177","0.003","78.517","0.003","2815.2","0.4","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H76 Be Cl4 N2 O8 -","- C54 H76 Be Cl4 N2 O8 -","- C108 H152 Be2 Cl8 N4 O16 -","2","1","","Burzlaff, Hans; Lange, Joachim; Spengler, Roland; Karayannis, Miltiadis I.; Veltsistas, Panos G.","Bis(hexadecylpyridinium) Bis(3,6-dichloro-4,5- dihydroxy-3,5-cyclohexadiene-1,2-dionato-κ^2^O^4^,O^5^)]beryllium","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","190","193","10.1107/S0108270194006530","","","0.7107","MoKα1","","","0.068","","","0.032","","","","","1.44","1.44","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003215","13.087","0.002","13.087","0.002","11.793","0.001","90","","90","","90","","2019.8","0.5","298","","298","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C12 H32 Cl4 N2 Zn -","- C12 H31 Cl4 N2 Zn -","- C48 H124 Cl16 N8 Zn4 -","4","0.5","NA1105","Caëtano, Odile; Lapasset, Jacques; Saint-Grégoire, Pierre","Tetraethylammonium Tetramethylammonium Tetrachlorozincate(II), [(C~2~H~5~)~4~N][(CH~3~)~4~N]ZnCl~4~","Acta Crystallographica Section C","1995","51","2","220","222","10.1107/S0108270194008152","","","0.7107","MoKα","","","0.041","","","0.042","","","","","1.33","1.33","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2003216","6.192","0.004","6.297","0.003","8.106","0.001","96.6","0.008","104.517","0.008","102.864","0.007","293.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","aluminium potassium diarsenate","","- Al As2 K O7 -","- Al As2 K O7 -","- Al2 As4 K2 O14 -","2","1","NA1114","Boughzala, Habib; Jouini, Tahar","KAlAs~2~O~7~","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","179","181","10.1107/S0108270194010395","","","0.71069","MoKα","","0.0353","0.0331","","0.0902","0.0879","","","","0.537","0.555","0.555","","","","","has coordinates","249494","2020-10-21","18:00:00",""
"2003217","14.9821","0.0009","5.9131","0.0007","23.502","0.002","90","","105.99","0.01","90","","2001.6","0.3","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl2 N4 O4 -","- C18 H22 Cl2 N4 O4 -","- C72 H88 Cl8 N16 O16 -","4","1","SE1047","Matthias Ramm; Hendrik Baumann; Klaus Kirschke","(E,E)-4-[3-(3,5-Dichloro-2-hydroxyphenylazo)-2-morpholino -2-butenoyl]morpholine","Acta Crystallographica C","1995","51","2","277","279","10.1107/S0108270194009364","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003218","17.383","0.003","9.538","0.001","20.056","0.003","90","","102.6","0.01","90","","3245.2","0.8","173","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H51 O10 P3 -","- C27 H51 O10 P3 -","- C108 H204 O40 P12 -","4","1","","Ramm, Matthias; Costisella, Burkhard; Gross, Hans","Hexaethyl (3,5-Di-tert-butyl-4-hydroxyphenyl)methanetrisphosphonate at 173 K","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","274","277","10.1107/S0108270194009376","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003220","4.577","0.001","32.074","0.006","7.353","0.001","90","","90.74","0.03","90","","1079.4","0.3","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H20 N O4 P -","- C7 H18 N O7 P -","- C28 H72 N4 O28 P4 -","4","1","AB0326","Waskowska, A.; Kroupa, J.","Disorder in <i>n</i>-Alkyl Ammonium Dihydrogen Phosphate Crystals: C~<i>n~</i>H~2<i>n~ + 1</i>NH~3~^+^.H~2~PO~4~^{-^}","Acta Crystallographica Section C","1995","51","3","420","423","10.1107/S0108270194006402","","","0.71073","MoKα","","","0.056","","","0.06","","","","","1.45","1.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003221","4.589","0.002","34.701","0.007","7.365","0.003","90","","90.61","0.03","90","","1172.8","0.7","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 N O4 P -","- C8 H20 N O7 P -","- C32 H80 N4 O28 P4 -","4","1","AB0326","Waskowska, A.; Kroupa, J.","Disorder in <i>n</i>-Alkyl Ammonium Dihydrogen Phosphate Crystals: C~<i>n~</i>H~2<i>n~ + 1</i>NH~3~^+^.H~2~PO~4~^{-^}","Acta Crystallographica Section C","1995","51","3","420","423","10.1107/S0108270194006402","","","0.71073","MoKα","","","0.065","","","0.065","","","","","1.66","1.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003222","8.2341","0.0005","9.7275","0.0005","20.8316","0.0012","90","","92.74","0.01","90","","1666.65","0.16","295","","","","","","","","","","Moberg et al. (1991)","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C64 H72 N8 O24 -","4","1","AB1160","A. Ertan; I. Csöregh; H. Adolfsson; C. Moberg","Complexation with Ligands Containing a Dipyridylmethane Unit. Structures of a Free Ligand and Two Copper(II) Complexes","Acta Crystallographica Section C","1995","51","3","385","392","10.1107/S010827019400853X","","","1.54183","CuKα","","","0.043","","","0.056","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003223","11.0497","0.0006","13.1208","0.0005","13.5252","0.0005","90","","98.71","0.01","90","","1938.28","0.16","295","","","","","","","","","","Adolfsson et al. (1994)","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cu N3 O6 -","- C21 H19 Cu N3 O6 -","- C84 H76 Cu4 N12 O24 -","4","1","AB1160","Ertan, A.; Csöregh, I.; Adolfsson, H.; Moberg, C.","Complexation with Ligands Containing a Dipyridylmethane Unit. Structures of a Free Ligand and Two Copper(II) Complexes","Acta Crystallographica Section C","1995","51","3","385","392","10.1107/S010827019400853X","","","1.54183","CuKα","","","0.048","","","0.071","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003224","10.2034","0.0005","15.4648","0.0013","14.7073","0.0009","90","","102.4","0.01","90","","2266.6","0.3","295","","","","","","","","","","Adolfsson et al. (1994)","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cu N3 O6.5 -","- C52 H38 Cu2 N6 O14 -","- C104 H76 Cu4 N12 O28 -","2","0.5","AB1160","Ertan, A.; Csöregh, I.; Adolfsson, H.; Moberg, C.","Complexation with Ligands Containing a Dipyridylmethane Unit. Structures of a Free Ligand and Two Copper(II) Complexes","Acta Crystallographica Section C","1995","51","3","385","392","10.1107/S010827019400853X","","","1.54183","CuKα","","","0.042","","","0.059","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003225","22.965","0.003","13.196","0.003","15.823","0.003","90","","108.28","0.01","90","","4553.1","1.5","294","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H21.44 N2 O0.72 S7 Sn3 -","- C6.14 N1.9 O0.605 S7 Sn3 -","- C49.12 N15.2 O4.84 S56 Sn24 -","8","1","AB1180","Tan, K.; Ko, Y.; Parise, J. B.","Trimethylammonium Tin Sulfide","Acta Crystallographica Section C","1995","51","3","398","401","10.1107/S0108270194010437","","","0.7107","MoKα","","","0.058","","","0.041","","","","","1.54","1.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003226","10.537","0.002","10.615","0.003","21.101","0.004","90","","92.24","0.02","90","","2358.3","0.9","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Cd N16 Ni2 -","- C44 H54 Cd N16 Ni2 -","- C88 H108 Cd2 N32 Ni4 -","2","0.5","AB1195","Yuge, H.; Iwamoto, T.","Two-Dimensional Open-Frame Host Structure of the Inclusion Compound [Cd(tenH)~2~{Ni(CN)~4~}~2~].4C~6~H~5~NH~2~ (ten = 1,4-Diazabicyclo[2.2.2]octane)","Acta Crystallographica Section C","1995","51","3","374","377","10.1107/S0108270194009388","","","0.71069","MoKα","","","0.0417","","","0.0338","","","","","1.369","1.369","","","","","has coordinates","288340","2023-12-15","11:09:55",""
"2003227","21.023","0.001","14.907","0.001","8.2059","0.0007","90","","90","","90","","2571.6","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-methoxy-5-oxo-11-azabenzo[b]fluorene-11-oxide","","- C17 H11 N O3 -","- C17 H11 N O3 -","- C136 H88 N8 O24 -","8","1","AB1206","Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.","4-Methoxy-11-oxo-5-azabenzo[<i>b</i>]fluorene <i>N</i>-Oxide and its Free Base","Acta Crystallographica Section C","1995","51","3","462","465","10.1107/S0108270194010528","","","1.54178","CuKα","","0.0387","0.038","","0.0859","0.0825","","","","1.087","1.087","1.087","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003228","7.47","0.001","20.033","0.002","8.97","0.002","90","","111.91","0.01","90","","1245.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-methoxy-5-oxo-11-azabenzo[b]fluorene","","- C17 H11 N O2 -","- C17 H11 N O2 -","- C68 H44 N4 O8 -","4","1","AB1206","Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.","4-Methoxy-11-oxo-5-azabenzo[<i>b</i>]fluorene <i>N</i>-Oxide and its Free Base","Acta Crystallographica Section C","1995","51","3","462","465","10.1107/S0108270194010528","","","1.54178","CuKα","","0.1442","0.0771","","0.1765","0.1561","","","","1.875","2.423","2.423","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003229","16.374","0.002","20.082","0.002","19.137","0.005","90","","90.61","0.01","90","","6292.3","1.9","293","","293","","","","","","","","synthesised by the authors","5","P 1 21/n 1","-P 2yn","14","","2,2',2""-Triammoniumtriethylamine molybdate hexahydrate","","- C24 H96 Mo6 N16 O30 -","- C24 H96 Mo6 N16 O30 -","- C96 H384 Mo24 N64 O120 -","4","1","AB1214","Alyea, E. C.; Ferguson, G.; Xu, Z.","Hydrogen-Bonded Self-Assembly of Tris(2-ammonioethyl)amine Molybdate Hydrate, 4[N(CH~2~CH~2~NH~3~)~3~]^3+^.6[MoO~4~]^2{-^}.6H~2~O","Acta Crystallographica Section C","1995","51","3","353","356","10.1107/S0108270194009996","","","0.71069","MolybdenumKα","","0.042","0.03","","0.049","0.045","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003230","11.321","0.003","10.782","0.002","17.916","0.004","90","","90","","90","","2186.9","0.9","293","","293","","","","","","","","synthesised by the authors","3","P c a n","-P 2n 2c","60","o-phenylenedioxy-bis(dimethyl-4-oxahexanoic acid)","6,6'-o-phenylenedioxybis(2,2-dimethyl-4-oxahexanoic acid)","","- C20 H30 O8 -","- C20 H30 O8 -","- C80 H120 O32 -","4","0.5","AB1215","Ferguson, G.; Gallagher, J. F.; McAlees, A. J.","Ligands for Application in Coordination Chemistry: Three Dicarboxylic Acids","Acta Crystallographica Section C","1995","51","3","454","458","10.1107/S0108270194010000","","","0.71067","MolybdenumKα","","0.107","0.071","","0.088","0.082","","","","","2.04","2.04","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003231","12.457","0.003","9.828","0.002","12.588","0.002","90","","106.79","0.02","90","","1475.4","0.5","293","","293","","","","","","","","synthesised by authors","3","P 1 21/a 1","-P 2yab","14","tetramethyl-4,7-dioxadecanedioic acid","2,2,9,9-tetramethyl-4,7-dioxadecanedioic acid","","- C12 H22 O6 -","- C12 H22 O6 -","- C48 H88 O24 -","4","1","AB1215","Ferguson, G.; Gallagher, J. F.; McAlees, A. J.","Ligands for Application in Coordination Chemistry: Three Dicarboxylic Acids","Acta Crystallographica Section C","1995","51","3","454","458","10.1107/S0108270194010000","","","0.71067","MolybdenumKα","","0.097","0.038","","0.061","0.052","","","","","1.35","1.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003232","5.765","0.002","11.951","0.002","13.325","0.002","98.17","0.02","91.71","0.02","101.48","0.02","889","0.4","293","","293","","","","","","","","synthesised by the authors","3","P -1","-P 1","2","hexamethyl-4,8-dioxaundecanedioic acid","2,2,6,6,10,10-hexamethyl-4,8-dioxaundecanedioic acid","","- C15 H28 O6 -","- C15 H28 O6 -","- C30 H56 O12 -","2","1","AB1215","Ferguson, G.; Gallagher, J. F.; McAlees, A. J.","Ligands for Application in Coordination Chemistry: Three Dicarboxylic Acids","Acta Crystallographica Section C","1995","51","3","454","458","10.1107/S0108270194010000","","","0.71067","MolybdenumKα","","0.091","0.04","","0.065","0.057","","","","","1.55","1.55","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003233","14.565","0.003","15.359","0.003","7.883","0.002","90","","90.08","0.02","90","","1763.5","0.7","293","1","","","","","","","","","totally synthetic","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O7 -","- C21 H23 O7 -","- C84 H92 O28 -","4","1","AS1118","Cotterill, A. S.; Gable, R. W.; Gill, M.","Methyl Austrocorticinate","Acta Crystallographica Section C","1995","51","3","500","502","10.1107/S010827019400956X","","","0.71069","MoKᾱ","","","0.063","","","0.043","","","","","1.876","1.876","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003234","15.387","0.002","7.705","0.002","16.013","0.002","90","","90","","90","","1898.5","0.6","296","","296","","","","","","","","synthesized and crystallized from EtOH/H~2~O solution","5","P n a 21","P 2c -2n","33","","6-ethyl-9-fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidyl)-5-methyl-1-oxo-1H,5H- benzo[i,j]quinolizine-2-carboxylic acid","","- C21 H25 F N2 O4 -","- C21 H25 F N2 O4 -","- C84 H100 F4 N8 O16 -","4","1","AS1135","Hashimoto, K.; Fujita, N.; Tanaka, T.; Kido, M.","6-Ethyl-9-fluoro-6,7-dihydro-8-(4-hydroxy-piperidino)-5-methyl-1-oxo-1<i>H</i>,5<i>H</i>-benzo[<i>ij</i>]quinolizine-2-carboxylic Acid","Acta Crystallographica Section C","1995","51","3","519","521","10.1107/S0108270194008504","","","0.7107","MoKα","","","0.036","","","0.04","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003235","12.325","0.004","8.553","0.003","16.299","0.007","90","","103.39","0.03","90","","1671.5","1.1","293","","","","","","","","","","EPA, recrystallized from ethanol","6","P 1 21/c 1","-P 2ybc","","","","","- C12 H16 N3 O3 P S2 -","- C12 H22 N3 O3 P S2 -","- C48 H88 N12 O12 P4 S8 -","4","1","BK1007","Baughman, R. G.; Allen, J. L.","Organophosphorus Insecticides. 16. Azinphos Ethyl: <i>O</i>,<i>O</i>-Diethyl <i>S</i>-{[4-Oxo-1,2,3-benzotriazin-3(4<i>H</i>)-yl]methyl} Phosphorodithioate, C~12~H~16~N~3~O~3~PS~2~","Acta Crystallographica Section C","1995","51","3","521","523","10.1107/S0108270194007705","","","0.71073","MoKα","","","0.05","","","0.044","","","","","1.5","1.5","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003236","12.241","0.005","16.05","0.05","9.63","0.004","90","","110.73","0.03","90","","1769","6","173","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 N6 S3 -","- C11 H24 N6 S3 -","- C44 H96 N24 S12 -","4","1","BK1026","Garneau, I.; Raymond, S.; Brisse, F.","A Thiourea‒1,5-Cyclooctadiene Clathrate at 173 K","Acta Crystallographica Section C","1995","51","3","538","541","10.1107/S0108270194007717","","","1.54178","GraphitemonochromatedCuKᾱ","","","0.0432","","","0.0539","","","","","1.872","1.872","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003237","13.364","0.002","12.991","0.002","13.548","0.002","90","","108.35","0.012","90","","2232.5","0.6","293","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 B Cl F4 Mo P3 -","- C14 H32 B Cl F4 Mo P3 -","- C56 H128 B4 Cl4 F16 Mo4 P12 -","4","1","BK1037","Fettinger, J. C.; Kraatz, H.-B.; Poli, R.; Rheingold, A. L.","[CpMoCl(PMe~3~)~3~][BF~4~] and [Cp*MoCl(PMe~3~)~3~][PF~6~]","Acta Crystallographica Section C","1995","51","3","364","367","10.1107/S010827019400898X","","","0.7093","MoKα","","0.074","0.052","","0.066","0.056","","","","","1.051","1.051","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003238","12.369","0.006","14.664","0.005","15.769","0.005","90","","90.96","0.03","90","","2859.8","1.9","299","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H42 Cl F6 Mo P4 -","- C19 H42 Cl F6 Mo P4 -","- C76 H168 Cl4 F24 Mo4 P16 -","4","1","BK1037","Fettinger, J. C.; Kraatz, H.-B.; Poli, R.; Rheingold, A. L.","[CpMoCl(PMe~3~)~3~][BF~4~] and [Cp*MoCl(PMe~3~)~3~][PF~6~]","Acta Crystallographica Section C","1995","51","3","364","367","10.1107/S010827019400898X","","","0.7093","MoKα","","0.0851","0.0694","","0.1255","0.1193","","","","","1.89","1.89","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003239","14.3565","0.0007","14.8021","0.0008","25.612","0.002","90","","90","","90","","5442.7","0.6","295","","","","","","","","","","slow cooling of p-xylene solution","4","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Cl8 O6 -","- C22 H24 Cl8 O6 -","- C176 H192 Cl64 O48 -","8","1","BK1038","Garcia, J. G.; Fronczek, F. R.","The <i>endo</i>-<i>endo</i>-<i>syn</i> Diels‒Alder Diadduct of Tetrachlorodimethoxycyclopentadiene with 1,6-Dioxacyclodeca-3,8-diene","Acta Crystallographica Section C","1995","51","3","468","471","10.1107/S0108270194008681","","","0.71073","MoKα","","","0.035","","","0.037","","","","","1.468","1.468","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003240","13.684","0.005","20.294","0.005","13.09","0.004","98.64","0.02","107.98","0.03","91.06","0.02","3410.2","1.9","200","","","","","","","","","","from acetic acid/CH~2~Cl~2~ solution","5","P -1","-P 1","2","","","","- C71 H84 Cl2 N4 O10 -","- C71 H84 Cl2 N4 O10 -","- C142 H168 Cl4 N8 O20 -","2","1","BK1046","Barkigia, K. M.; Fajer, J.; Berber, M. D.; Smith, K. M.","A Solvate of the Diacetate Salt of the Octaethyltetraphenylporphyrin Dication, H~4~OETPP^2+^.2CH~3~COO^{-^}.3CH~3~COOH.CH~2~Cl~2~","Acta Crystallographica Section C","1995","51","3","511","515","10.1107/S0108270194008978","","","1.5418","CuKα","","","0.095","","","0.119","","","","","3.17","3.17","","","","","has coordinates","190721","2020-10-21","18:00:00",""
"2003241","7.162","0.001","7.417","0.001","9.469","0.002","69.27","0.02","93.79","0.02","92.41","0.02","469.31","0.15","298","","298","","","","","","","","The title compound was obtained by reaction of 2,6-dimethoxypyridine with Vilsmeier's reagent following a literature procedure (Shiao, Shyu & Tarng, 1990). Suitable crystals for this study were obtained from dichloromethane--hexane (1:2), m.p. 415--416 K.","5","P -1","-P 1","2","","2-chloro-6-dimethylamino-3,5-diformylpyridine","","- C9 H9 Cl N2 O2 -","- C9 H9 Cl N2 O2 -","- C18 H18 Cl2 N4 O4 -","2","1","BK1066","Lai, L.-L.; Liu, L.-K.; Shiao, M.-J.; Wen, Y.-S.","2-Chloro-6-dimethylamino-3,5-pyridine-dicarbaldehyde","Acta Crystallographica Section C","1995","51","3","517","519","10.1107/S0108270194010310","","","0.7107","MoKα","","0.036","0.028","","0.038","0.037","","","","","1.95","1.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003242","10.677","0.007","16.763","0.008","10.015","0.005","90","","90","","90","","1792.5","1.7","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 O6 P -","- C16 H27 O6 P -","- C64 H108 O24 P4 -","4","1","BK1079","Capron, M. A.; An, J.; Swenson, D. C.; Wiemer, D. F.","Cyclic (1<i>R</i>,3<i>R</i>)-1,3-Dimethyltrimethylene [(5<i>R</i>)-2-Hydroxy-5-methyl-5-(2-methyl-1,3-dioxolan-2-yl)-1-cyclohexen-1-yl]phosphonate, a Stable Enol","Acta Crystallographica Section C","1995","51","3","479","482","10.1107/S0108270194010164","","","0.71073","MoKα","","","0.037","","","0.048","","","","","1.09","1.09","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2003243","6.149","0.003","9.221","0.008","3.121","0.001","90.29","0.05","92.23","0.04","104.3","0.05","171.33","0.18","296","","","","","","","","","","","3","P -1","-P 1","2","","","","- B2 Mg2 O5 -","- B2 Mg2 O5 -","- B4 Mg4 O10 -","2","1","BR1079","Guo, G.-C.; Cheng, W.-D.; Chen, J.-T.; Huang, J.-S.; Zhang, Q.-E.","Triclinic Mg~2~B~2~O~5~","Acta Crystallographica Section C","1995","51","3","351","353","10.1107/S0108270194009303","","","0.71069","MoKα","","","0.03","","","0.047","","","","","1.55","1.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003244","6.676","0.001","7.969","0.002","14.259","0.002","90","","93","0.01","90","","757.6","0.2","296","","","","","","","","","","grown from a melt of composition 1SrO:1K~2~O:4B~2","4","P 1 21/c 1","-P 2ybc","14","","","","- B5 K O9 Sr -","- B5 K O9 Sr -","- B20 K4 O36 Sr4 -","4","1","BR1081","Tu, J.-M.; Keszler, D. A.","SrKB~5~O~9~","Acta Crystallographica Section C","1995","51","3","341","343","10.1107/S0108270194007493","","","0.71069","MoKα","","","0.044","","","0.048","","","","","1.27","1.27","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003245","5.951","0.001","5.951","0.001","28.875","0.006","90","","90","","120","","885.6","0.3","295","2","","","","","","","cooled from 1723 to 1523 K at 15 K h^-1^","","Crystals of the title compound were prepared by melting a pre-reacted stoichiometric powder mixture in sealed Pt tube, which was then cooled from 1723 to 1523 K at 15 K h^-1^.","3","R -3 m :H","-R 3 2""","166","","","","- Co10 Ge3 O16 -","- Co10 Ge3 O16 -","- Co30 Ge9 O48 -","3","0.0833333","BR1086","Barbier, J.","Co~10~Ge~3~O~16~","Acta Crystallographica Section C","1995","51","3","343","345","10.1107/S0108270194010954","","","0.5608","AgKα","","","0.058","","","0.069","","","","","0.82","0.82","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003246","18.56","0.003","13.335","0.004","9.677","0.003","90","","90","","90","","2395","1.1","295","1","295","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H2 Cl3 Cs6 Fe N6 O -","- C5 Cl2.5 Cs5 Fe0.5 N5 O -","- C20 Cl10 Cs20 Fe2 N20 O4 -","4","0.5","BR1089","Capparelli, M. V.; Murgich, J.","Cs~6~Cl~3~[Fe(CN)~6~].H~2~O: a Mixed-Anion Salt","Acta Crystallographica Section C","1995","51","3","356","358","10.1107/S010827019401022X","","","0.71069","MoKα","","","0.0243","","","0.0276","","","","","2.188","2.188","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003247","6.799","0.02","6.938","0.007","7.011","0.005","77.51","0.07","72.59","0.1","78.5","0.13","304.9","1","291","2","291","2","","","","","","","","5","P -1","-P 1","2","Nickel tin(II) fluoride hexahydrate","Nickel bistrifluorostannate(II) hexaydrate","","- F6 H12 Ni O6 Sn2 -","- F6 H12 Ni O6 Sn2 -","- F6 H12 Ni O6 Sn2 -","1","0.5","BR1092","Abrahams, I.; Donaldson, J. D.; Khan, Z. I.","Nickel Bistrifluorostannate(II) Hexahydrate, [Ni(H~2~O)~6~](SnF~3~)~2~","Acta Crystallographica Section C","1995","51","3","345","346","10.1107/S0108270194011340","","","0.71069","MoKα","","0.0247","0.0214","","0.0566","0.0559","","","","1.099","1.133","1.133","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003248","4.795","0.001","7.108","0.001","7.83","0.002","89.83","0.03","87.59","0.03","73.11","0.03","255.12","0.1","298","","298","","","","","","heated progressively to 1243 K; heating an appropriate mixture of material to 1275 K","","","4","P -1","-P 1","2","","Strontium Iron(III) Diphosphate","","- Fe2 O14 P4 Sr -","- Fe2 O14 P4 Sr -","- Fe2 O14 P4 Sr -","1","0.5","BR1094","Boutfessi, A.; Boukhari, A.; Holt, E. M.","Strontium Diiron(III) Pyrophosphate","Acta Crystallographica Section C","1995","51","3","346","348","10.1107/S0108270194010693","","","0.71073","MoKα","","","0.0378","","","0.0463","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003249","8.962","0.001","11.136","0.002","8.922","0.001","95.14","0.01","104.5","0.01","86.74","0.01","858","0.2","296","","296","","","","","","","","Sigma Chemical Co.,St. Louis, Mo.,USA","5","P -1","-P 1","2","","","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C40 H36 N4 O4 S2 -","2","1","CD1034","Jasinski, J. P.; Paight, E. S.","3-(2-Benzothiazolyl)-7-(diethylamino)coumarin","Acta Crystallographica Section C","1995","51","3","531","533","10.1107/S0108270194003628","","","0.7107","MoKα","","","0.0359","","","0.0413","","","","","1.528","1.528","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003250","6.929","0.003","6.725","0.003","10.778","0.005","90","","99.27","0.04","90","","495.7","0.4","235","","","","","","","","","","recrystallization from ethyl acetate","3","P 1 21 1","P 2yb","4","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C24 H24 O8 -","2","1","CD1064","Sondossi, M.; Lloyd, B. A.; Bariault, D.; Sylvestre, M.; Simard, M.","Microbial Transformation of a Dihydroxybiphenyl","Acta Crystallographica Section C","1995","51","3","491","494","10.1107/S0108270194008590","","","1.54056","CuKα","","","0.046","","","0.053","","","","","2.84","2.84","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003251","11.186","0.001","15.064","0.003","17.281","0.005","90","","103.9","0.02","90","","2826.7","1.1","296","","","","","","","","","","slow evaporation from CH~2~Cl~2~/iso-octane solution","3","P 1 21 1","P 2yb","4","","","","- C30 H50 O3 -","- C30 H50 O3 -","- C120 H200 O12 -","4","2","CR1102","Schultz, L. W.; Clardy, J.; Lessinger, L.","9,11-Secogorgost-5-en-9-one-3β,11-diol, a Marine Steroid from the Sea Whip <i>Pseudopterogorgia hummelinkii</i>","Acta Crystallographica Section C","1995","51","3","415","419","10.1107/S010827019400452X","","","1.54178","CuKα","","","0.0529","","","0.0674","","","","","1.1313","1.1313","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003252","14.822","0.003","7.055","0.001","10.205","0.002","90","","123.79","0.01","90","","886.9","0.3","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Eu2 H3 O9 P3 -","- Eu2 H4 O10 P4 -","- Eu8 H16 O40 P16 -","4","0.5","DU1051","Foulon, J.-D.; Durand, J.; Cot, L.; Tijani, N.; Rafiq, M.","Eu~2~(PO~3~H)~3~","Acta Crystallographica Section C","1995","51","3","348","350","10.1107/S0108270193007796","","","0.71073","MoKα","","","0.026","","","0.032","","","","","3.34","3.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003253","11.484","0.003","15.913","0.004","9.407","0.003","90","","101.46","0.01","90","","1684.8","0.8","293","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Diphenylphosphinophenyl)-1-propanone","","- C21 H19 O P -","- C21 H19 O P -","- C84 H76 O4 P4 -","4","1","FG1009","Rasley, B. T.; Rapta, M.; Kulawiec, R. J.","2'-(Diphenylphosphino)propiophenone, a Functionalized Tertiary Phosphine","Acta Crystallographica Section C","1995","51","3","523","525","10.1107/S0108270194006578","","","0.71073","MoKα","","0.0577","0.04","","0.1045","0.0944","","","","1.046","1.07","1.07","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003254","8.713","0.004","11.553","0.001","15.612","0.006","90","0.02","107.94","0.05","90","0.03","1495.1","1","293","2","293","2","","","","","","","synthesis (Cambie et al., 1987)","3","P 1 21/c 1","-P 2ybc","14","","13-hydroxy-6-methoxy-4-methyl-7,12-dihydro-1,4epoxy-1H-anthra[2,3-d]-1,2- dioxepin-7,12-dione","","- C19 H14 O7 -","- C19 H14 O7 -","- C76 H56 O28 -","4","1","FG1034","Buckleton, J. S.; Clark, G. R.; Rickard, C. E. F.","A Stable Ozonide","Acta Crystallographica Section C","1995","51","3","494","495","10.1107/S0108270194010577","","","1.5418","CuKα","","0.0843","0.0606","","0.1745","0.1666","","","","1.018","1.157","1.157","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003255","11.408","0.002","11.495","0.002","17.672","0.004","90","","90","","90","","2317.4","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(Trimethylsilyl)methyl Tetracylo[5.4.0.0^6,10^.0^9,11^] Undecan-4-yl 3,5-Dinitrobenzoate","","- C22 H28 N2 O6 Si -","- C22 H28 N2 O6 Si -","- C88 H112 N8 O24 Si4 -","4","1","FG1035","Lautens, M.; Lough, A. J.; Tam, W.","4-[(Trimethylsilyl)methyl]tetracyclo[5.4.0.0^6,10^.0^9,11^]undec-3-yl 3,5-Dinitrobenzoate","Acta Crystallographica Section C","1995","51","3","471","473","10.1107/S0108270194010966","","","0.71073","MoKα","","0.0988","0.0483","","0.1279","0.1092","","","","1.024","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003256","10.555","0.003","12.68","0.003","13.675","0.004","62.42","0.02","87.01","0.02","85.63","0.02","1617.2","0.8","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","1-diphenylmethylene-4-triphenylmethyl-cyclohexa-2,5-diene","","- C44 H36 -","- C44 H36 -","- C88 H72 -","2","1","HA1119","Bochkarev, L. N.; Molosnova, N. E.; Zakharov, L. N.; Fukin, G. K.; Yanovsky, A. I.; Struchkov, Y. T.","1-Diphenylmethylene-4-(triphenylmethyl)cyclohexa-2,5-diene Benzene Solvate","Acta Crystallographica Section C","1995","51","3","489","491","10.1107/S0108270194009005","","","0.71073","MoKα","","0.1106","0.0525","","0.179","0.1291","","","","1.038","0.988","0.988","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003257","7.544","0.003","8.576","0.003","12.014","0.007","78.01","0.03","83.36","0.03","71.41","0.03","719.6","0.6","295","2","295","2","","","","","","","The title compound was obtained by the reaction of PhNHN=C(Me)CHO with 2,2-dimethyl-1,3-dioxane-4,6-dione. Crystals were grown from ethanol (McNab & Stobie, 1982).","4","P -1","-P 1","2","5-(1,2-Diaza-3-methyl-1-phenylbutadien-4-ylidene)-Meldrum's acid","5-(1,2-Diaza-3-methyl-1-phenylbutadien-4-ylidene)-2,2-dimethyl-1,3-dioxane -4,6-dione","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C30 H32 N4 O8 -","2","1","HA1123","Blake, A. J.; McNab, H.","2,2-Dimethyl-5-(2-methyl-4-phenyl-3,4-diaza-2-butenylidene)-1,3-dioxane-4,6-dione","Acta Crystallographica Section C","1995","51","3","527","529","10.1107/S0108270194008371","","","0.71073","MoKα","","0.0541","0.0397","","0.1394","0.1285","","","","1.056","1.124","1.124","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003258","11.25","0.007","8.564","0.005","4.157","0.002","90","","90","","90","","400.5","0.4","293","2","293","2","","","","","","","By crystallisation from an aqueous solution containing Pb(NCS)~2~ and sodium acetate","6","P b n m","-P 2c 2ab","62","","Lead hydroxy thiocyanate","","- C H N O Pb S -","- C N2 O Pb S -","- C4 N8 O4 Pb4 S4 -","4","0.5","HA1124","Adovasio, V.; Nardelli, M.","Metal‒Hydroxy Ribbons in Pb(OH)(NCS)","Acta Crystallographica Section C","1995","51","3","380","382","10.1107/S0108270194009145","","","0.71069","MoKα","","","0.0264","","","0.0579","","","","","1.171","1.171","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003259","5.8813","0.0014","15.474","0.003","14.919","0.006","90","","95.64","0.03","90","","1351.2","0.7","150","0.2","150","0.2","","","","","","","The title compound was made by a Wittig reaction of 2-(t-butylthio)benzalde- hyde with methyl triphenylphosphoranylidenacetate in dichloromethane (MacPherson, 1994; Cadogan, MacPherson & McNab, 1994). Crystals were grown from hexane solution.","4","P 1 21/n 1","-P 2yn","14","Methyl 2-(t-Butylthio)cinnamate","Methyl 3-[2-(t-Butylthio)phenyl]propenoate","","- C14 H18 O2 S -","- C14 H18 O2 S -","- C56 H72 O8 S4 -","4","1","HA1130","Blake, A. J.; Cadogan, J. I. G.; Dijksma, F. J. J.; Gould, R. O.; MacPherson, A. D.; McNab, H.","Methyl 3-[2-(<i>tert</i>-Butylthio)phenyl]propenoate","Acta Crystallographica Section C","1995","51","3","509","511","10.1107/S0108270194009777","","","0.71073","MoKα","","0.0393","0.0295","","0.0803","0.0727","","","","1.063","1.071","1.071","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003260","11.79","0.006","11.79","0.006","18.373","0.004","90","","90","","120","","2211.8","1.7","296","","","","","","","","","","from CH~2~Cl~2~/Et~2~O","4","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C14 H16 I P -","- C14 H16 I P -","- C84 H96 I6 P6 -","6","0.5","HR1009","Staples, R. J.; Carlson, T.; Wang, S.; Fackler, Jnr, J. P.","Dimethyldiphenylphosphonium Iodide, [PPh~2~(CH~3~)~2~]^+^.I^{-^}, and Dimethyldiphenylphosphonium Bromide, [PPh~2~(CH~3~)~2~]^+^.Br^{-^}","Acta Crystallographica Section C","1995","51","3","498","500","10.1107/S0108270194009157","","","0.71073","MoKα","","","0.021","","","0.0242","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003261","11.603","0.002","11.603","0.002","17.968","0.005","90","","90","","120","","2094.9","0.8","296","","","","","","","","","","from CH~2~Cl~2~/Et~2~O","4","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C14 H16 Br P -","- C14 H16 Br P -","- C84 H96 Br6 P6 -","6","0.5","HR1009","Staples, R. J.; Carlson, T.; Wang, S.; Fackler, Jnr, J. P.","Dimethyldiphenylphosphonium Iodide, [PPh~2~(CH~3~)~2~]^+^.I^{-^}, and Dimethyldiphenylphosphonium Bromide, [PPh~2~(CH~3~)~2~]^+^.Br^{-^}","Acta Crystallographica Section C","1995","51","3","498","500","10.1107/S0108270194009157","","","0.71073","MoKα","","","0.039","","","0.0464","","","","","1.02","1.02","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003262","8.497","0.003","9.902","0.003","21.03","0.005","90","","92.14","0.01","90","","1768.2","0.9","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 Cu N3 O7 -","- C16 H19 Cu N3 O7.5 -","- C64 H76 Cu4 N12 O30 -","4","2","HU1069","Baggio, R. F.; Calvo, R.; Brondino, C.; Garland, M. T.; Atria, A. M.; Spodine, E.","A Novel Structure of (<small>L</small>-Aspartato)(1,10-phenanthroline)copper(II) Hydrate","Acta Crystallographica Section C","1995","51","3","382","385","10.1107/S0108270194009297","","","0.71073","MoKα","","","0.0322","","","0.0424","","","","","1.12","1.12","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003263","9.793","0.001","9.793","0.001","9.978","0.002","90","","90","","120","","828.7","0.2","293","10","293","10","","","","","","","","5","P 32","P 32","145","","N-(2R)-bromopropionyl-(2S)-proline methyl ester","","- C9 H14 Br N O3 -","- C9 H14 Br N O3 -","- C27 H42 Br3 N3 O9 -","3","1","HU1118","Ingham, S. L.; Lenman, M. M.","<i>N</i>-[2(<i>R</i>)-Bromopropanoyl]-(2<i>S</i>)-proline Methyl Ester","Acta Crystallographica Section C","1995","51","3","537","538","10.1107/S0108270194007961","","","0.71073","MoKα","","0.0397","0.0343","","0.0944","0.0909","","","","1.124","1.14","1.14","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003264","12.514","0.005","7.433","0.004","13.956","0.006","90","","114.86","0.03","90","","1177.9","1","150","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Tetraethylammonium perchlorate","","- C8 H20 Cl N O4 -","- C8 H20 Cl N O4 -","- C32 H80 Cl4 N4 O16 -","4","1","HU1122","Kivikoski, J.; Howard, J. A. K.; Kelly, P.; Parker, D.","Tetraethylammonium Perchlorate at 150 K","Acta Crystallographica Section C","1995","51","3","535","536","10.1107/S0108270194008619","","","0.71073","MoKα","","","0.0489","","","0.0517","","","","","","","","","","","has coordinates","190394","2020-10-21","18:00:00",""
"2003265","8.421","0.002","11.421","0.002","17.431","0.004","90","","93.84","0.01","90","","1672.7","0.6","294","","","","","","","","","","","7","P 1 21/c 1","","","","","","- C13 H18 As F6 O P Ru -","- C13 H18 As F10 O P Ru -","- C52 H72 As4 F40 O4 P4 Ru4 -","4","1","KA1055","Kirchner, K.; Schmid, R.; Mereiter, K.","[Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(CH~3~)~3~}]PF~6~ and [Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(C~6~H~5~)~3~}]PF~6~","Acta Crystallographica Section C","1995","51","3","361","364","10.1107/S0108270194005688","","","0.71069","MoKα","","","0.026","","","0.03","","","","","1.31","1.31","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003266","8.076","0.001","24.399","0.004","13.337","0.002","90","","96.52","0.01","90","","2611","0.7","295","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 As F6 O P Ru -","- C28 H24 As F6 O P Ru -","- C112 H96 As4 F24 O4 P4 Ru4 -","4","1","KA1055","Kirchner, K.; Schmid, R.; Mereiter, K.","[Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(CH~3~)~3~}]PF~6~ and [Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(C~6~H~5~)~3~}]PF~6~","Acta Crystallographica Section C","1995","51","3","361","364","10.1107/S0108270194005688","","","0.71069","MoKα","","","0.028","","","0.027","","","","","1.14","1.14","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2003267","8.411","0.002","7.094","0.001","19.349","0.004","90","","90","","90","","1154.5","0.4","293","","","","","","","","","","recrystallized from water","4","P b c a","-P 2ac 2ab","61","","","","- C2 H7 N5 S -","- C2 H7 N5 S -","- C16 H56 N40 S8 -","8","1","KA1069","Heinemann, F. W.; Hartung, H.; Dehne, H.; Scheunemann, A.","Thiooxalic Acid 2-Amide-1-hydrazide-2-hydrazone","Acta Crystallographica Section C","1995","51","3","442","445","10.1107/S0108270194005494","","","0.71073","MoKα","","","0.0333","","","0.0804","","","","","1.004","1.004","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003268","24.667","0.004","10.573","0.003","15.736","0.004","90","","90","","90","","4104","1.7","293","2","293","2","","","","","","","synthesis","6","C c c 2","C 2 -2c","37","","bis(thiourea)bis(benzoato)zinc(II)","","- C16 H18 N4 O4 S2 Zn -","- C16 H18 N4 O4 S2 Zn -","- C128 H144 N32 O32 S16 Zn8 -","8","1","KA1071","Černák, J.; Adzimová, I.; Gérard, F.; Hardy, A.-M.","Bis(benzoato-<i>O</i>)bis(thiourea-<i>S</i>)zinc(II)","Acta Crystallographica Section C","1995","51","3","392","395","10.1107/S0108270194004075","","","0.7093","MoKα","","0.0517","0.0286","","0.0728","0.0664","","","","0.955","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003269","14.257","0.002","7.2001","0.0008","12.871","0.001","90","","108.88","0.01","90","","1250.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-hydroxy-5,6-dihydro-12-azabenzo[a]anthracene-N-oxide","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","KA1078","Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.","Hindered Cavity-Shaped <i>N</i>-Oxides","Acta Crystallographica Section C","1995","51","3","458","461","10.1107/S0108270194003665","","","1.54178","CuKα","","0.0605","0.0421","","0.1244","0.1112","","","","1.109","1.159","1.159","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003270","16.092","0.002","7.906","0.001","11.889","0.001","90","","115.2","0.01","90","","1368.6","0.3","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","1-methoxy-5,6-dihydro-12-azabenzo[a]anthracene-N-oxide","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","2","KA1078","Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.","Hindered Cavity-Shaped <i>N</i>-Oxides","Acta Crystallographica Section C","1995","51","3","458","461","10.1107/S0108270194003665","","","1.54178","CuKα","","0.0576","0.0553","","0.145","0.1412","","","","1.072","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003271","17.158","0.002","17.158","0.002","17.158","0.002","116.66","0.02","116.66","0.02","116.66","0.02","2344","4","293","2","293","2","","","","","","","","4","R 3 c :R","P 3* -2n","161","","","","- C15 H25 N3 O -","- C15 H25 N3 O -","- C90 H150 N18 O6 -","6","1","KA1083","Anulewicz, R.; Fiertek, D.; Izdebski, J.","1-Cyclohexyl-2-cyclohexylamino-5(4<i>H</i>)-imidazolone","Acta Crystallographica Section C","1995","51","3","541","543","10.1107/S0108270194006529","","","1.54056","CuKα","","0.0943","0.0493","","0.1482","0.1148","","","","1.08","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003272","13.274","0.004","7.746","0.002","15.08","0.005","90","","108.33","0.03","90","","1471.9","0.8","293","","","","","","","","","","Synthesis","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O5 -","- C17 H22 O5 -","- C68 H88 O20 -","4","1","KA1087","Guidetti-Grept, R.; Herzog, B.; Debrunner, B.; Siljegovic, V.; Keese, R.; Frey, H.-M.; Hauser, A.; König, O.; Lüthi, S.; Birrer, J.; Nyffeler, D.; Förtsch, M.; Bürgi, H.-B.","A [5.5.5.5]Fenestrane Derivative","Acta Crystallographica Section C","1995","51","3","495","497","10.1107/S0108270194009455","","","0.71069","MoKα","","","0.04","","","0.055","","","","","1.534","1.534","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003273","27.85","0.007","5.217","0.003","13.463","0.004","90","","80.57","0.02","90","","1929.7","1.3","295","","","","","","","","","","synthetic","4","C 1 2 1","C 2y","5","","","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C72 H100 N4 O20 -","4","1","KA1090","Weber, H. P.; Scholz, D.; Schmidt, H.; Gstach, H.","(2<i>S</i>,3<i>R</i>,4<i>S</i>)-4-(1,1-Dimethylethoxycarbonylamino)-2,3-epoxy-5-phenylpentanoic Acid Ethyl Ester","Acta Crystallographica Section C","1995","51","3","477","479","10.1107/S0108270194010656","","","1.54184","CuKα","","","0.098","","","0.109","","","","","0.538","0.538","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003274","15.412","0.008","8.169","0.002","19.487","0.004","90","","110.91","0.03","90","","2291.8","1.5","293","","","","","","","","","","Crystallized from methanol","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 F N5 O -","- C10 H12 F N5 O -","- C80 H96 F8 N40 O8 -","8","2","LI1096","Janes, R. W.; Palmer, R. A.","A Lamotrigine Analogue: 3,5-Diamino-6-(2-fluorophenyl)-1,2,4-triazine Methanol Solvate","Acta Crystallographica Section C","1995","51","3","440","442","10.1107/S0108270194005378","","","1.54178","CuKα","","","0.0579","","","0.0733","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003275","25.171","0.003","5.245","0.001","15.557","0.002","90","","121.92","0.02","90","","1743.3","0.6","296","","296","","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","","2-Fluoro-8,8-Dimethyl-9-Oxa-4,7-Diazabicyclo[4.3.0]Nona-1,6-Dien-3,5-Dione","","- C8 H7 F N2 O3 -","- C8 H7 F N2 O3 -","- C64 H56 F8 N16 O24 -","8","1","LI1122","Banks, R. E.; Jondi, W. J.; Pritchard, R. G.; Tipping, A. E.","5-Fluoro-8,8-dimethyl-7-oxa-3,9-diazabicyclo[4.3.0]nona-5,9-diene-2,4-dione (C~8~H~7~FN~2~O~3~): a Novel Product from Pyrolysis of <i>N</i>-Isopropylidene-<i>O</i>-tetrafluoro-4-pyridylhydroxylamine in Glass","Acta Crystallographica Section C","1995","51","3","515","517","10.1107/S0108270194008772","","","0.71069","MoKα","","","0.0414","","","0.027","","","","","1.947","1.947","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003276","9.456","0.002","22.745","0.004","16.707","0.003","90","","93.16","0.02","90","","3587.8","1.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Cl3 N Ni O5 P2 S2 -","- C31 H34 N Ni O P2 S2 -","- C124 H136 N4 Ni4 O4 P8 S8 -","4","1","LI1125","Akilan, R.; Sivakumar, K.; Venkatachalam, V.; Ramalingam, K.; Chinnakali, K.; Fun, H.-K.","[1,2-Bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>'](4-morpholinecarbodithioato-<i>S</i>,<i>S</i>')nickel(II) Perchlorate Dichloromethane Solvate","Acta Crystallographica Section C","1995","51","3","368","370","10.1107/S010827019401070X","","","0.71073","MoKα","","0.1259","0.051","","0.1306","0.1073","","","","0.869","1.059","1.059","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003277","7.95","0.001","8.88","0.001","17.525","0.003","90","","90","","90","","1237.2","0.3","295","","","","","","","","","","Dissolving glutaric acid/lithium carbonate (1mol:0.5mol) in water yields crystals on standing","4","P b c a","-P 2ac 2ab","","","","","- C5 H7 Li O4 -","- C5 H7 Li O4 -","- C40 H56 Li8 O32 -","8","1","MU1051","Macdonald, A. L.; Murray, A.; Freer, A. A.; Henderson, K.","Lithium and Caesium Hydrogen Glutarate","Acta Crystallographica Section C","1995","51","3","404","406","10.1107/S0108270194005524","","","1.5418","CuKα","","","0.037","","","0.051","","","","","2.74","2.74","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003278","13.222","0.002","18.633","0.003","10.092","0.002","90","","103.02","0.01","90","","2422.4","0.7","293","","","","","","","","","","Glutaric acid/caesium carbonate (1mol:0.5mol) dissolved in water yields crystals on standing","4","C 1 2/m 1","-C 2y","12","","","","- C5 H7 Cs O4 -","- C5 H7 Cs O4 -","- C60 H84 Cs12 O48 -","12","1.5","MU1051","Macdonald, A. L.; Murray, A.; Freer, A. A.; Henderson, K.","Lithium and Caesium Hydrogen Glutarate","Acta Crystallographica Section C","1995","51","3","404","406","10.1107/S0108270194005524","","","0.71069","MoKα","","","0.029","","","0.043","","","","","2.4","2.4","","","","","has coordinates","198392","2020-10-21","18:00:00",""
"2003279","12.679","0.006","14.794","0.01","12.653","0.007","114.16","0.05","117.54","0.04","75.97","0.06","1916","2","293","","","","","","","","","","Crystallized from methanol","6","P -1","-P 1","2","","","","- C16 H16 Co N3 O5 S3 -","- C15.5 H16 Co N3 O4.5 S3 -","- C62 H64 Co4 N12 O18 S12 -","4","2","MU1088","Xu, Y.-J.; Kang, B.-S.; Chen, X.-T.; Huang, L.-R.","<i>fac</i>-[Co(C~5~H~4~NOS)~3~].H~2~O. 1/2CH~3~OH and <i>fac</i>-[Co(C~5~H~4~NOS)~3~]. 1/3CH~3~OH","Acta Crystallographica Section C","1995","51","3","370","374","10.1107/S0108270194006207","","","0.71069","MoKα","","","0.062","","","0.064","","","","","1.36","1.36","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003280","21.997","0.011","9.094","0.005","27.594","0.009","90","","95.87","0.04","90","","5491","4","296","1","","","","","","","","","Crystallized from methanol","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Co N3 O4 S3 -","- C15.3333 H13.3333 Co N3 O3.33333 S3 -","- C184 H160 Co12 N36 O40 S36 -","12","3","MU1088","Xu, Y.-J.; Kang, B.-S.; Chen, X.-T.; Huang, L.-R.","<i>fac</i>-[Co(C~5~H~4~NOS)~3~].H~2~O. 1/2CH~3~OH and <i>fac</i>-[Co(C~5~H~4~NOS)~3~]. 1/3CH~3~OH","Acta Crystallographica Section C","1995","51","3","370","374","10.1107/S0108270194006207","","","0.71069","MoKα","","","0.052","","","0.062","","","","","1.38","1.38","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003281","7.511","0.003","9.468","0.005","8.142","0.002","88.26","0.04","112.69","0.02","92.23","0.04","533.7","0.4","295","","","","","","","","","","Synthesis","4","P -1","-P 1","2","","","","- C7 H12 N4 S2 -","- C7 H12 N4 S2 -","- C14 H24 N8 S4 -","2","1","MU1121","Seth, S.; Sur, H.","A 1:1 Adduct of 4,6-Dimethylpyrimidine-2(1<i>H</i>)-thione and Thiourea","Acta Crystallographica Section C","1995","51","3","487","489","10.1107/S0108270194009236","","","0.71073","MoKα","","","0.034","","","0.038","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003282","11.161","0.002","11.338","0.006","17.206","0.013","98.726","0.056","107.306","0.04","111.682","0.039","1846","2","210","1","","","","","","","","","slow diffusion of n-hexane into dichloromethane solution at 243 K","7","P -1","-P 1","2","","","","- C28 H38 B9 Cl4 P2 Rh S -","- C28 H38 B9 Cl4 P2 Rh S -","- C56 H76 B18 Cl8 P4 Rh2 S2 -","2","1","MU1131","Adams, K. J.; McGrath, T. D.; Welch, A. J.","8-(Ph~2~PCH~2~CH~2~PPh~2~)-8,7-<i>nido</i>-RhSB~9~H~10~.2CH~2~Cl~2~","Acta Crystallographica Section C","1995","51","3","401","403","10.1107/S0108270194009947","","","0.71069","MoKα","","","0.0528","","","0.0846","","","","","1.618","1.618","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003283","11.8386","0.0009","15.3158","0.0012","7.7899","0.0006","90","","95.97","0.008","90","","1404.79","0.19","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N -","- C19 H15 N -","- C76 H60 N4 -","4","1","MU1138","Clegg, W.; Hewkin, C. T.; Jackson, R. F. W.","2,6-Diphenyl-3-vinylpyridine","Acta Crystallographica Section C","1995","51","3","525","527","10.1107/S0108270194010814","","","1.54184","CuKα","","0.0633","0.0588","","0.1739","0.1597","","","","1.059","1.064","1.064","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003284","13.179","0.001","12.075","0.001","17.963","0.001","90","","109.1","0.007","90","","2701.2","0.4","296","1","296.2","","","","","","","","isolation","3","P 1 21 1","P 2yb","4","","","","- C62 H52 O24 -","- C62 H52 O24 -","- C124 H104 O48 -","2","1","NA1086","Bryant, F. O.; Cutler, H. G.; Burla, M. C.; Newton, M. G.","Duclauxin Ethyl Acetate Solvate, 2C~29~H~22~O~11~.C~4~H~8~O~2~","Acta Crystallographica Section C","1995","51","3","437","440","10.1107/S010827019400394X","","","1.54178","CuKᾱ","","","0.038","","","0.042","","","","","3.13","3.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003285","5.593","0.001","12.227","0.002","15.705","0.007","90","","90","","90","","1074","0.5","298","","","","","","","","","","Chemical synthesis","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N2 O4 S -","- C9 H12 N2 O4 S2 -","- C36 H48 N8 O16 S8 -","4","1","NA1093","Ayala, D. J.; Bombieri, G.; Perosino, T.; Stradi, R.","3-(5-Oxo-<small>L</small>-prolyl)-<small>L</small>-thiazolidine-4-carboxylic Acid","Acta Crystallographica Section C","1995","51","3","473","475","10.1107/S0108270194008280","","","0.71069","MoKα","","","0.0367","","","0.0409","","","","","0.85","0.85","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003286","17.144","0.001","11.45","0.003","10.179","0.002","90","","90.757","0.008","90","","1998","0.7","293","","293","","","","","","","","Janssen Research Foundation, Belgium","5","P 1 21/c 1","-P 2ybc","14","","3-{2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl}-2-methyl- 4H-pyrido[1,2-a]pyrimidine-4-one","","- C23 H24 F N3 O2 -","- C23 H24 F N3 O2 -","- C92 H96 F4 N12 O8 -","4","1","NA1112","Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.","3-{2-[4-(4-Fluorobenzoyl)piperidino]ethyl}-2-methyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one (Pirenperone)","Acta Crystallographica Section C","1995","51","3","533","535","10.1107/S0108270194008176","","","1.54184","CuKα","","0.1846","0.0748","","0.2297","0.1648","","","","1.13","1.44","1.44","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003287","7.898","0.001","26.463","0.004","14.099","0.002","90","","99.69","0.02","90","","2904.7","0.7","289","2","289","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(1-pyrenyl)-3-(4-(dimethylamino)phenyl)hexamethyltrisilane","","- C30 H37 N Si3 -","- C30 H37 N Si3 -","- C120 H148 N4 Si12 -","4","1","NA1121","Van Meervelt, L.","1-[4-(Dimethylamino)phenyl]-3-(1-pyrenyl)hexamethyltrisilane","Acta Crystallographica Section C","1995","51","3","543","544","10.1107/S0108270194010413","","","1.54178","CuKα","","0.123","0.064","","0.1746","0.148","","","","1.058","1.191","1.191","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003288","14.539","0.003","5.492","0.002","23.452","0.002","90","","98.12","0.01","90","","1853.8","0.8","296","","","","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 O S2 -","- C18 H28 O S2 -","- C72 H112 O4 S8 -","4","1","OH1059","Miyake, M.; Haramoto, Y.","2-(<i>p</i>-Ethoxyphenyl)-5-hexyl-1,3-dithiane, C~18~H~28~OS~2~","Acta Crystallographica Section C","1995","51","3","475","477","10.1107/S0108270194007584","","","0.71069","MoKα","","","0.044","","","0.047","","","","","1.3","1.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003289","7.342","0.002","4.702","0.002","23.131","0.006","90","","101.83","0.01","90","","781.6","0.4","294","1","","","","","","","","","Slow evaporation of an ethanolic solution","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 Hg S2 -","- C4 H10 Hg S2 -","- C16 H40 Hg4 S8 -","4","0.5","OH1066","Fraser, K. A.; Clegg, W.; Craig, D. C.; Scudder, M. L.; Dance, I. G.","New Crystal Data for [Hg(SC~2~H~5~)~2~]","Acta Crystallographica Section C","1995","51","3","406","408","10.1107/S0108270194009510","","","0.7107","MoKα","","","0.017","","","0.031","","","","","1.22","1.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003290","10.43","0.007","11.728","0.007","12.268","0.009","108.31","0.05","98.34","0.05","115.66","0.05","1212.9","1.7","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N2 O2 -","- C12 H13.5 N2 O2 -","- C48 H54 N8 O8 -","4","2","PA1096","Suchod, B.; Baldeck, P.","<i>N</i>,<i>N</i>-Diethyl-4-(2-nitroethenyl)phenylamine (DEANST), C~12~H~6~N~2~O~2~","Acta Crystallographica Section C","1995","51","3","432","434","10.1107/S0108270194005998","","","0.7107","MoKα","","","0.089","","","0.079","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003291","7.84","0.01","18.4","0.02","7.65","0.03","99.35","0.02","114.48","0.03","80.64","0.02","985","4","293","","","","","","","","","","evaporation of a saturated 50/50% H~2~O/ethanol solution","5","P -1","-P 1","2","","","","- C21 H28 Cl N2 O2 -","- C21 H24 Cl N2 O2 -","- C42 H48 Cl2 N4 O4 -","2","1","PA1108","Brouant, P.; Giorgi, M.","9-(4-Methyl-1-piperazinyl)-9,10-dihydro-9,10-ethanoanthracene Hydrochloride Dihydrate (Trazitilin)","Acta Crystallographica Section C","1995","51","3","434","436","10.1107/S0108270194007274","","","0.71073","MoKα","","","0.051","","","0.054","","","","","0.854","0.854","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003292","8.323","0.004","10.569","0.005","17.022","0.01","90","","100.15","0.02","90","","1473.9","1.3","293","","293","","","","","","","","chemical synthesis","4","P 1 21 1","P 2yb","4","","Baccatin III derivative","","- C26 H44 O8 Si -","- C26 H44 O8 Si -","- C52 H88 O16 Si2 -","2","1","PA1126","Chiaroni, A.; Guénard, D.; Guéritte-Voegelein, F.; Khuong-Huu, F.; Py, S.; Riche, C.; Wahl, A.","A Baccatin III Derivative","Acta Crystallographica Section C","1995","51","3","465","468","10.1107/S0108270194007341","","","1.5418","CuKα","","","0.105","","","0.145","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003293","10.579","0.002","11.618","0.002","11.886","0.003","90","","110.293","0.008","90","","1370.2","0.5","298","","298","","","","","","","","from diethyl ether/pentane (1:1) solution","4","P 1 21/c 1","-P 2ybc","14","","(2RS,1'SR)-4,4-Dimethyl-1-hydroxy-2-[1'-phenethyl]pyrrolidine","","- C14 H21 N O -","- C14 H21 N O -","- C56 H84 N4 O4 -","4","1","PA1132","Bernardinelli, G.; Oppolzer, W.; Spivey, A. C.","(2<i>RS</i>)-4,4-Dimethyl-2-[(1<i>SR</i>)-1-phenylethyl]-1-pyrrolidinol","Acta Crystallographica Section C","1995","51","3","529","530","10.1107/S0108270194009686","","","0.7093","MoKα","","0.162","0.071","","0.047","0.044","","","","2.107","2.89","2.89","","","","","has coordinates","191030","2020-10-21","18:00:00",""
"2003294","33.657","0.003","5.1305","0.0003","16.0816","0.001","90","","92.368","0.008","90","","2774.6","0.3","293","2","293","2","","","","","","","Therabel Research, Bruxelles","5","C 1 2/c 1","-C 2yc","15","Nimesulide","4-nitro-2-phenoxymethanesulfonanilide","","- C13 H12 N2 O5 S -","- C13 H12 N2 O5 S -","- C104 H96 N16 O40 S8 -","8","1","PA1137","Dupont, L.; Pirotte, B.; Masereel, B.; Delarge, J.; Geczy, J.","Nimesulide","Acta Crystallographica Section C","1995","51","3","507","509","10.1107/S0108270194010334","","","1.5418","CuKα","","0.0638","0.0401","","0.1325","0.1146","","","","1.088","1.248","1.248","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003295","11.7356","0.001","13.5707","0.0014","12.4426","0.0011","90","","110.975","0.008","90","","1850.3","0.3","293","2","293","2","","","","","","","Laboratory of Medicinal Chemistry, Univ. of Liege","5","P 1 21/n 1","-P 2yn","14","","N-Cyano-N'-Isopropyl-N""-((4-(3'-Methylphenylamino)Pyrid-3-yl)Sulfonyl) Guanidine","","- C17 H20 N6 O2 S -","- C17 H20 N6 O2 S -","- C68 H80 N24 O8 S4 -","4","1","PA1139","Dupont, L.; Masereel, B.; de Tullio, P.; Pirotte, B.; Delarge, J.","<i>N</i>^2^-Cyano-<i>N</i>^1^-isopropyl-<i>N</i>^3^-[4-(3-methylphenylamino)-3-pyridylsulfonyl]guanidine","Acta Crystallographica Section C","1995","51","3","505","507","10.1107/S0108270194010346","","","1.5418","CuKα","","0.0565","0.0387","","0.1129","0.106","","","","0.983","1.099","1.099","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003296","6.7639","0.0002","8.0105","0.0001","9.3111","0.0001","95.703","0.001","106.774","0.001","92.499","0.002","479.254","0.017","293","2","293","2","","","","","","","diffusion of petroleum ether into a solution of (1) in ethyl acetate","5","P 1","P 1","1","","(5R,6S,7R,9R,13S,14R)-7-Chloro-7-cyano-4,5-epoxy-3,6-dimethoxy-N-methyl- 6,14-ethenoisomorphinane","","- C22 H23 Cl N2 O3 -","- C22 H23 Cl N2 O3 -","- C22 H23 Cl N2 O3 -","1","1","SE1061","Schollmeyer, D.; Keilhofer, D.; Pindur, U.","Diels‒Alder Products of the Alkaloid ({-})-Thebaine with α-Chloroacrylnitrile and 1-Methoxy-1,3-cyclohexadiene with Tetracyanoethene","Acta Crystallographica Section C","1995","51","3","502","505","10.1107/S0108270194007900","","","1.5418","CuKα","","0.0476","0.0475","","0.1362","0.136","","","","1.126","1.126","1.126","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003297","7.5252","0.0005","9.398","0.001","17.29","0.0007","90","","90","","90","","1222.78","0.16","293","2","293","2","","","","","","","slow evaporation of chloroform solution of (2)","4","P 21 21 21","P 2ac 2ab","19","","1-Methoxy-5,5,6,6-tetracyanobicyclo[2.2.2]oct-3-ene","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C52 H40 N16 O4 -","4","1","SE1061","Schollmeyer, D.; Keilhofer, D.; Pindur, U.","Diels‒Alder Products of the Alkaloid ({-})-Thebaine with α-Chloroacrylnitrile and 1-Methoxy-1,3-cyclohexadiene with Tetracyanoethene","Acta Crystallographica Section C","1995","51","3","502","505","10.1107/S0108270194007900","","","1.5418","CuKα","","0.0535","0.0527","","0.1421","0.1407","","","","1.027","1.031","1.031","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003298","20.076","0.002","6.831","0.002","20.113","0.001","90","","90","","90","","2758.3","0.9","293","","","","","","","","","","Kristallisation (Propanol/Hexan)","4","P n a 21","P 2c -2n","33","","","","- C24 H30 N10 O8 -","- C24 H30 N10 O8 -","- C96 H120 N40 O32 -","4","1","SH1093","Gzella, A.; Wrzeciono, U.","Struktur der Molekularverbindung von 3,5-Dinitroindazol und Piperidin. 39. Azole","Acta Crystallographica Section C","1995","51","3","484","487","10.1107/S0108270194008930","","","1.54178","CuKα","","","0.035","","","0.034","","","","","2.8675","2.8675","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003299","9.452","0.006","14.33","0.016","11.826","0.004","90","","112.98","0.04","90","","1475","2","295","","","","","","","","","","recrystallization from DMSO","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N3 -","- C18 H19 N3 -","- C72 H76 N12 -","4","1","VJ1005","Parihar, D. S.; Bohra, R.; Prasad, R. N.; Nagar, P. N.","An Imidazo[1,2-<i>a</i>]pyrazine Derivative, C~18~H~19~N~3~","Acta Crystallographica Section C","1995","51","3","482","484","10.1107/S0108270194009017","","","0.71069","MoKα","","","0.048","","","0.05","","","","","0.51","0.51","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003300","8.877","0.002","12.179","0.003","9.734","0.002","90","","106.11","0.02","90","","1011","0.4","294","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C46 H60 O8 -","2","1","VJ1006","Bidya Sagar, M.; Ravikumar, K.; Rama Rao, A. V.; Machender Reddy, M.; Singh, A. K.","Structural Studies of Intermediates in the Synthesis of Mifepristone (RU 486). II. Structure of a β-Epoxy Steroid","Acta Crystallographica Section C","1995","51","3","451","454","10.1107/S0108270194008589","","","0.71069","MoKα","","","0.046","","","0.053","","","","","0.952","0.952","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003301","9.24","0.002","10.761","0.002","15.217","0.003","90","","90","","90","","1513.1","0.5","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","VJ1007","Ravikumar, K.; Chandra Mohan, K.; Shekharam, T.; Yadav, J. S.","The Diels‒Alder Reaction Product of β-Ionone and Maleic Anhydride","Acta Crystallographica Section C","1995","51","3","449","451","10.1107/S010827019401067X","","","0.71073","MoKα","","","0.039","","","0.045","","","","","0.884","0.884","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003302","6.6532","0.0006","7.1539","0.0004","20.3786","0.0013","90","","93.473","0.007","90","","968.17","0.12","293","2","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","3'-methoxy spiro [bicyclo[3.1.0] hexane-6,16'-estra [1,3,5(10)] triene]-17'-one","","- C24 H30 O2 -","- C24 H30 O2 -","- C48 H60 O4 -","2","1","AB1170","Hooft, R. W. W.; Kroon, J.","3'-Methoxyspiro[bicyclo[3.1.0]hexane-6,16'-estra-1',3',5'(10')-trien]-17'-one","Acta Crystallographica Section C","1995","51","4","721","723","10.1107/S0108270194008899","","","1.54184","CuKα","","","0.03","","","0.034","","","","","0.18","0.18","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003303","10.716","0.001","17.431","0.004","35.029","0.007","90","","90","","90","","6543","2","295","","295","","","","","","","","The title compound was prepared by the interaction of cis-[PtCl~2~(PMe~2~Ph)~2~] with triphenylsilane in boiling benzene--triethylamine solution (Chatt, Earborn, Ibekwe & Kapoor, 1967). Single crystals were formed on cooling to room temperature.","6","P b c a","-P 2ac 2ab","61","","","","- C34 H37 Cl P2 Pt Si -","- C34 H34 Cl P2 Pt Si -","- C272 H272 Cl8 P16 Pt8 Si8 -","8","1","AB1204","Kapoor, P.; Lövqvist, K.; Oskarsson, Å.","The <i>trans</i> Influence of the Silyl Ligand. Structure of <i>trans</i>-[PtCl(SiPh~3~)(PMe~2~Ph)~2~]","Acta Crystallographica Section C","1995","51","4","611","613","10.1107/S0108270194011170","","","0.7107","MoKα","","","0.0299","","","0.0336","","","","","1.302","1.302","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003304","9.604","0.006","9.994","0.004","16.072","0.005","90","","103.68","0.03","90","","1498.9","1.2","173","1","173","1","","","","","","","Crystals of (I) were grown by slow evaporation of an aqueous acetone solution at room temperature.","3","P 1 21 1","P 2yb","4","3-O-benzoyl-4,6:4',6'-di-O-benzylidene-2,2'-dideoxy-α,α-ribotrehalose","3-O-benzoyl-4,6-O-benzylidene-2-deoxy-α-D-ribohexopyranosyl 4,6-O- benzylidene-2-deoxy-α-D-ribohexopyranoside","","- C33 H34 O10 -","- C33 H34 O10 -","- C66 H68 O20 -","2","1","AB1243","Linden, A.; Lee, C. K.","3-<i>O</i>-Benzoyl-4,6;4',6'-di-<i>O</i>-benzylidene-2,2'-dideoxy-α,α-<i>ribo</i>-trehalose","Acta Crystallographica Section C","1995","51","4","747","751","10.1107/S010827019401440X","","","0.71069","MoKα","","0.0804","0.0416","","0.0347","0.0317","","","","","1.577","1.577","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003305","9.326","0.002","11.991","0.003","7.964","0.001","94.58","0.02","105.39","0.02","113.84","0.03","767.5","0.4","297","","","","","","","","","","chemical synthesis","4","P -1","-P 1","2","","5-Ethoxymethyl-1-[1-ethyl-2,4-dioxo-5- (pyrimidinyl)methyl]uracil","","- C14 H18 N4 O5 -","- C14 H18 N4 O5 -","- C28 H36 N8 O10 -","2","1","AS1096","Yamaguchi, K.; Tanaka, H.; Matsumoto, K.; Kittaka, A.; Miyasaka, T.","A Dimeric Uracil Derivative","Acta Crystallographica Section C","1995","51","4","754","756","10.1107/S0108270194001034","","","1.5405","CuKα~1~","","","0.042","","","0.043","","","","","1.81","1.81","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2003306","11.549","0.003","3.756","0.001","16.442","0.008","90","0.03","104.94","0.03","90","0.02","689.1","0.4","298","","","","","","","","","","from water solution","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 N O3 -","- C8 H5 N O3 -","- C32 H20 N4 O12 -","4","1","AS1104","Miao, F.-M.; Wang, J.-L.; Miao, X.-S.","<i>N</i>-Hydroxyphthalimide","Acta Crystallographica Section C","1995","51","4","712","713","10.1107/S0108270194007638","","","0.71073","MoKα","","","0.041","","","0.045","","","","","0.685","0.685","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003307","7.847","0.002","12.691","0.003","7.395","0.002","101.77","0.02","116.2","0.02","74.31","0.02","633.1","0.3","293","","","","","","","","","","chemical synthesis","7","P -1","-P 1","2","","","","- C10 H8 Cl2 N2 O S V -","- C10 H8 Cl2 N2 O S V -","- C20 H16 Cl4 N4 O2 S2 V2 -","2","1","AS1119","Kondo, M.; Kawata, S.; Kitagawa, S.; Kiso, H.; Munakata, M.","An Oxovanadium(IV) Complex Chelated by Dipyridyl Sulfide","Acta Crystallographica Section C","1995","51","4","567","569","10.1107/S0108270194008127","","","0.71069","MoKα","","","0.035","","","0.04","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003308","6.985","0.004","16.056","0.022","16.566","0.017","81.92","0.1","85.05","0.07","79.34","0.08","1804","3","133","","","","","","","","","","natural product isolated from the powdered roots of Phormium cookianum","3","P -1","-P 1","2","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C80 H80 O32 -","8","4","AS1120","Gainsford, G. J.","Antifungal Compounds Isolated from New Zealand Flax: 7-Hydroxy-5-methoxy-6-methylphthalide and 4-Methoxycarbonyl-β-orcinol","Acta Crystallographica Section C","1995","51","4","709","712","10.1107/S0108270194009753","","","0.71073","MoKα","","","0.051","","","0.111","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003309","7.043","0.002","18.142","0.007","7.238","0.002","90","","96.44","0.02","90","","919","0.5","133","","","","","","","","","","natural product isolated from Phormium cookianum","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","AS1120","Gainsford, G. J.","Antifungal Compounds Isolated from New Zealand Flax: 7-Hydroxy-5-methoxy-6-methylphthalide and 4-Methoxycarbonyl-β-orcinol","Acta Crystallographica Section C","1995","51","4","709","712","10.1107/S0108270194009753","","","0.71073","MoKα","","","0.04","","","0.052","","","","","1.74","1.74","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003310","10.127","0.002","4.87","0.002","15.811","0.002","90","","106.61","0.01","90","","747.2","0.4","296","","","","","","","","","","evaporation from 50% ethanol","3","P 1 21/a 1","-P 2yab","14","","","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","AS1128","Okabe, N.; Kohyama, Y.","Homogentisic Acid","Acta Crystallographica Section C","1995","51","4","761","763","10.1107/S0108270194010176","","","0.71069","MoKα","","","0.051","","","0.049","","","","","1.47","1.47","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003311","10.114","0.003","12.013","0.009","9.368","0.004","122.59","0.04","90.11","0.03","98.31","0.04","944.6","1","298","","298","","","","","","","","","4","P -1","-P 1","2","Samarium Octamolybdate","dodecaaquasamarium octamolybdate hexahydrate","","- H36 Mo8 O45 Sm2 -","- Mo8 O45 Sm2 -","- Mo8 O45 Sm2 -","1","0.5","AS1146","Yamase, T.; Ozeki, T.; Kawashima, I.","Photoluminescent Samarium Octamolybdate","Acta Crystallographica Section C","1995","51","4","545","547","10.1107/S0108270194012205","","","0.71069","MoKα","","","0.061","","","0.061","","","","","2.11","2.11","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003312","11.844","0.001","12.871","0.001","15.237","0.002","90","","90","","90","","2322.8","0.4","293","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Dibromo[bis(o-N,N-dimethylaminomethylphenyl)methylsilanol]cobalt(II)","","- C19 H28 Br2 Co N2 O Si -","- C19 H28 Br2 Co N2 O Si -","- C76 H112 Br8 Co4 N8 O4 Si4 -","4","1","BK1030","Baggio, R. F.; Garland, M. T.; Manzur, J.; Spodine, E.","[Bis(<i>o</i>-dimethylaminomethylphenyl)methylsilanol-<i>N</i>,<i>O</i>]dibromocobalt(II)","Acta Crystallographica Section C","1995","51","4","602","604","10.1107/S0108270194009200","","","0.71073","MoKα","","0.056","0.039","","0.055","0.049","","","","","0.83","0.83","","","","","has coordinates","194583","2020-10-21","18:00:00",""
"2003313","11.832","0.003","14.05","0.003","18.049","0.003","90","","90","","90","","3000.5","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Triethylammonium bis(mercaptobenzoato)(cis-dioxomolibdato(VI))","","- C26 H40 Mo N2 O6 S2 -","- C26 H40 Mo N2 O6 S2 -","- C104 H160 Mo4 N8 O24 S8 -","4","1","BK1032","Li-Kao, J.; González, O.; Baggio, R. F.; Garland, M. T.; Carrillo, D.","Bis(triethylammonium) Bis(2-mercaptobenzoato-<i>O</i>,<i>S</i>)dioxomolybdate(VI)","Acta Crystallographica Section C","1995","51","4","575","578","10.1107/S0108270194011236","","","0.71073","MoKα","","0.0441","0.033","","0.0879","0.08","","","","1.044","1.045","1.045","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003314","7.36","0.002","9.793","0.002","19.369","0.002","90","","90","","90","","1396","0.5","296","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H18 Cl2 O2 Pt S2 -","- C8 H18 Cl2 O2 Pt S2 -","- C32 H72 Cl8 O8 Pt4 S8 -","4","1","BK1039","De Azevedo, Jnr, W. F.; Mascarenhas, Y. P.; De Sousa, G. F.; Filgueiras, C. A. L.","<i>cis</i>-[1,2-Bis(propylsulfinyl)ethane-<i>S</i>,<i>S</i>']dichloroplatinum(II)","Acta Crystallographica Section C","1995","51","4","619","621","10.1107/S0108270194009868","","","0.71073","MoKα","","","0.047","","","0.052","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003315","9.138","0.002","9.172","0.003","13.598","0.006","103.34","0.03","92.01","0.03","114.3","0.02","999.8","0.6","153","","","","","","","","","","from (Me~3~Si)~3~SiLi and Cl-SiMe~2~-SiMe~2~-Cl","3","P -1","-P 1","2","","","","- C22 H66 Si10 -","- C22 H66 Si10 -","- C22 H66 Si10 -","1","0.5","BK1051","Lambert, J. B.; Pflug, J. L.; Allgeier, A. M.; Campbell, D. J.; Higgins, T. B.; Singewald, E. T.; Stern, C. L.","A Branched Polysilane","Acta Crystallographica Section C","1995","51","4","713","715","10.1107/S0108270194009704","","","0.71069","MoKα","","","0.024","","","0.033","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003316","10.734","0.003","13.096","0.004","13.712","0.004","72.34","0.02","72.07","0.02","71.82","0.02","1695.9","0.9","188","1","188","1","","","","","","","","4","P -1","-P 1","2","","(N-[Methoxy)carbonyl]-15-keto-13-methoxy-10-aza-14a, 10a-benzobicyclo[7.3.1]tridec-3,7-diyn-5-ene)","","- C40 H34 N2 O9 -","- C41 H30 N2 O9.5 -","- C82 H60 N4 O19 -","2","1","BK1061","Lynch, V. M.; Fairhurst, R. A.; Iliadis, T. N.; Magnus, P.; Davis, B. E.","Two [7.3.1]Azabicyclo-<i>z</i>-3-ene-1,5-diyne Analogues of Dynemicin A","Acta Crystallographica Section C","1995","51","4","782","786","10.1107/S0108270194010231","","","0.71073","MoKα","","0.0576","0.0437","","0.0563","0.0543","","","","","1.83","1.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003317","10.747","0.003","11.529","0.003","11.661","0.002","89.82","0.02","70.51","0.02","67.43","0.02","1244.7","0.6","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","(N-[Adamantyloxy)carbonyl]-15-keto-13-methoxy-10-aza-14a, 10a-benzobicyclo[7.3.1]tridec-3,7-diyn-5-ene)","","- C30 H31 N O5 -","- C31 H27 N O5 -","- C62 H54 N2 O10 -","2","1","BK1061","Lynch, V. M.; Fairhurst, R. A.; Iliadis, T. N.; Magnus, P.; Davis, B. E.","Two [7.3.1]Azabicyclo-<i>z</i>-3-ene-1,5-diyne Analogues of Dynemicin A","Acta Crystallographica Section C","1995","51","4","782","786","10.1107/S0108270194010231","","","0.71073","MoKα","","0.0678","0.053","","0.0713","0.0692","","","","","2.297","2.297","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003318","12.491","0.001","12.368","0.001","15.655","0.001","90","","109.72","0.01","90","","2276.7","0.3","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 N Ni P2 -","- C21 H35 N Ni P2 -","- C84 H140 N4 Ni4 P8 -","4","1","BK1063","VanderLende, D. D.; Boncella, J. M.; Abboud, K. A.","<i>trans</i>-[Ni(Me~3~Ph)(NHPh)(PMe~3~)~2~], a Monomeric Ni^II^‒Amide Complex","Acta Crystallographica Section C","1995","51","4","591","593","10.1107/S0108270194011534","","","0.71073","MoKα","","","0.0445","","","0.0478","","","","","1.36","1.36","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003319","6.197","0.001","9.348","0.002","9.713","0.002","83.9","0.01","84.97","0.01","85.85","0.02","556.2","0.19","293","2","293","2","","","","","","","see text","4","P -1","-P 1","2","Ethylenediamine-N,N'-dimethyl-N,N'-2,2'-di-6-tert-butyl-1,4-benzoquinone","Ethylenediamine-N,N'-dimethyl-N,N'-2,2'-di-6-tert-butyl-1,4-benzoquinone","","- C24 H32 N2 O4 -","- C24 H32 N2 O4 -","- C24 H32 N2 O4 -","1","0.5","BK1067","Raptova, L.; Rapta, M.; Horak, V.","Ethylenediamine-<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>,<i>N</i>'-2,2'-di-6-<i>tert</i>-butyl-1,4-benzoquinone","Acta Crystallographica Section C","1995","51","4","734","736","10.1107/S0108270194011091","","","0.71073","MoKα","","0.0769","0.0531","","0.1598","0.1372","","","","1.021","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003320","9.415","0.003","8.103","0.002","11.957","0.003","90","","90","","90","","912.2","0.4","130","2","130","2","","","","","","","","5","P m n 21","P 2ac -2","31","aminobenzyl-dioxocyclam nickel(II)","(6-(p-aminobenzyl)-1,4,8,11-tetraazacyclotetradecane-5,7-dione)nickel(II)","","- C17 H25 N5 Ni O2 -","- C17 H25 N5 Ni O2 -","- C34 H50 N10 Ni2 O4 -","2","0.5","BK1076","Moran, J. K.; Olmstead, M. M.; Meares, C. F.","An Aminobenzyldioxocyclam Nickel(II) Complex","Acta Crystallographica Section C","1995","51","4","621","623","10.1107/S0108270194011753","","","0.71073","MoKα","","0.0345","0.0291","","0.0709","0.0667","","","","1.022","1.024","1.024","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003321","13.778","0.002","13.2816","0.0013","26.188","0.003","90","","90","","90","","4792.2","1","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","azidotetrakis(trimethylphosphine)nickel(II) tetrafluoroborate","","- C12 H36 B F4 N3 Ni P4 -","- C12 H36 B F4 N3 Ni P4 -","- C96 H288 B8 F32 N24 Ni8 P32 -","8","1","BK1077","Carson, C. C.; Pike, R. D.; Carpenter, G. B.","Azidotetrakis(trimethylphosphine)nickel(II) Tetrafluoroborate","Acta Crystallographica Section C","1995","51","4","595","598","10.1107/S0108270194010553","","","0.71073","MoKα","","0.1242","0.0577","","0.1529","0.1337","","","","0.852","1.106","1.106","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003322","22.5","0.003","6.0128","0.0005","13.254","0.0015","90","","102.446","0.01","90","","1751","0.3","183","1","183","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4,7-Dimethoxybenzo[c]furan","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","1","BK1080","Lynch, V. M.; Fairhurst, R. A.; Magnus, P.; Davis, B. E.","4,7-Dimethoxybenzo[<i>c</i>]furan","Acta Crystallographica Section C","1995","51","4","780","782","10.1107/S0108270194010152","","","0.71073","MoKα","","0.0569","0.0374","","0.0463","0.0416","","","","","1.302","1.302","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2003323","15.818","0.002","15.818","0.002","7.087","0.001","90","","90","","120","","1535.7","0.3","297","","","","","","","","","","Paraiba, Brazil","6","R 3 m :H","R 3 -2""","160","","","","- Al8 B3 Li Na O31 Si6 -","- Al6 B3 Li3 Na O31 Si6 -","- Al18 B9 Li9 Na3 O93 Si18 -","3","0.166667","BR1070","MacDonald, D. J.; Hawthorne, F. C.","Cu-Bearing Tourmaline from Paraiba, Brazil","Acta Crystallographica Section C","1995","51","4","555","557","10.1107/S0108270194008243","","","0.71073","MoKα","","","0.022","","","0.025","","","","","1.2","1.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003324","15.805","0.002","15.805","0.002","7.084","0.001","90","","90","","120","","1532.5","0.3","297","","","","","","","","","","Paraiba, Brazil","6","R 3 m :H","R 3 -2""","160","","","","- Al8 B3 Li Na O31 Si6 -","- Al6 B3 Li3 Na O31 Si6 -","- Al18 B9 Li9 Na3 O93 Si18 -","3","0.166667","BR1070","MacDonald, D. J.; Hawthorne, F. C.","Cu-Bearing Tourmaline from Paraiba, Brazil","Acta Crystallographica Section C","1995","51","4","555","557","10.1107/S0108270194008243","","","0.71073","MoKα","","","0.02","","","0.023","","","","","1.4","1.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003325","5.833","0.002","6.593","0.003","7.73","0.003","80.97","0.03","81.11","0.03","76.43","0.03","283.2","0.2","293","2","293","2","","","","","","","Hydrothermal synthesis from NiCl~2~.6H~2~O and NaVO~3~.","4","P -1","-P 1","2","Nickel(II) Metavanadate Monohydrate","Nickel(II) divanadium(V)hexaoxide monohydrate","","- H4 Ni2 O14 V4 -","- Ni2 O14 V4 -","- Ni2 O14 V4 -","1","0.5","BR1075","Marcos, M. D.; Amorós, P.; Beltrán-Porter, A.; Ramírez de Arellano, M. C.","Hydrothermal Synthesis and Structure of Nickel(II) Metavanadate Monohydrate, NiV~2~O~6~.H~2~O","Acta Crystallographica Section C","1995","51","4","552","555","10.1107/S0108270194006797","","","0.71073","MoKα","","0.0575","0.0487","","0.1359","0.1284","","","","1.088","1.108","1.108","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003326","8.889","0.001","7.998","0.001","12.237","0.001","90","","103.82","0.01","90","","844.79","0.16","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B2 Cs2 Ga2 O7 -","- B2 Cs2 Ga2 O7 -","- B8 Cs8 Ga8 O28 -","4","1","BR1078","Smith, R. W.","Cs~2~Ga~2~O(BO~3~)~2~","Acta Crystallographica Section C","1995","51","4","547","549","10.1107/S0108270194009418","","","0.71069","MoKα","","","0.054","","","0.069","","","","","2.53","2.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003327","7.805","0.001","15.157","0.002","6.094","0.001","100.9","0.01","92.99","0.01","86.71","0.01","706.12","0.18","296","","296","","","","","","","","","5","P -1","-P 1","2","","carbonic dihydrazide, bis(3-fluorophenylmethylene)-","","- C15 H12 F2 N4 O -","- C15 H12 F2 N4 O -","- C30 H24 F4 N8 O2 -","2","1","CR1090","Meyers, C. Y.; Kolb, V. M.; Robinson, P. D.","Dimeric Hydrogen-Bonded Structure of Bis(3-fluorophenylmethine)carbonohydrazide","Acta Crystallographica Section C","1995","51","4","775","777","10.1107/S0108270194011492","","","0.71069","MoKα","","","0.044","","","0.051","","","","","1.92","1.92","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003328","8.109","0.003","11.845","0.005","12.364","0.005","71.08","0.03","76.82","0.03","87.62","0.03","1093.1","0.8","298","","","","","","","","","","Recrystallization from chloroform","4","P -1","-P 1","2","","","","- C10 H10 Cl2 Zr -","- C10 H10 Cl2 Zr -","- C40 H40 Cl8 Zr4 -","4","2","CR1136","Corey, J. Y.; Zhu, X.-H.; Brammer, L.; Rath, N. P.","Zirconocene Dichloride","Acta Crystallographica Section C","1995","51","4","565","567","10.1107/S0108270194011509","","","0.71073","MoKα","","","0.032","","","0.0379","","","","","1.08","1.08","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003329","6.718","0.002","12.27","0.004","13.273","0.004","64.19","0.02","81.76","0.02","89.25","0.02","973.3","0.6","295","","","","","","","","","","W. Zajac, Villanova Univ.","4","P -1","-P 1","2","","","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C36 H48 N8 O16 -","4","2","CR1141","George, C.; Gilardi, R. D.; Zajac, Jnr, W. W.; Buzby, J. H.; Walters, T. R.","3,7-Dinitronoradamantane, C~9~H~12~N~2~O~4~, and 3,7,9-Trinitronoradamantane, C~9~H~11~N~3~O~6~","Acta Crystallographica Section C","1995","51","4","703","706","10.1107/S0108270194011868","","","0.71069","MoKα","","","0.05","","","0.048","","","","","1.68","1.68","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003330","7.169","0.001","10.875","0.001","13.842","0.002","90","","90","","90","","1079.2","0.2","295","","","","","","","","","","W. Zajac, Villanova Univ.","4","P 21 c n","P -2n 2a","33","","","","- C9 H11 N3 O6 -","- C9 H11 N3 O6 -","- C36 H44 N12 O24 -","4","1","CR1141","George, C.; Gilardi, R. D.; Zajac, Jnr, W. W.; Buzby, J. H.; Walters, T. R.","3,7-Dinitronoradamantane, C~9~H~12~N~2~O~4~, and 3,7,9-Trinitronoradamantane, C~9~H~11~N~3~O~6~","Acta Crystallographica Section C","1995","51","4","703","706","10.1107/S0108270194011868","","","1.5418","CuKα","","","0.032","","","0.042","","","","","1.83","1.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003331","12.61","0.003","16.038","0.004","12.106","0.003","111.51","0.02","107.92","0.02","94.07","0.02","2120.1","1","294","","294","","","","","","","","Synthesis (Legzdins, Rettig & S\'anchez, 1988)","6","P -1","-P 1","2","","(η^5^-Cyclopentadienyl)nitrosyl(trimethylsilylmethyl) (N-trimethylsilylmethyl-N-nitrosohydroxylaminato)tungsten","","- C13 H27 N3 O3 Si2 W -","- C13 H27 N3 O3 Si2 W -","- C52 H108 N12 O12 Si8 W4 -","4","2","CR1148","Evans, S. V.; Legzdins, P.; Rettig, S. J.; Sánchez, L.; Trotter, J.","A Tungsten Nitrosyl Complex","Acta Crystallographica Section C","1995","51","4","584","586","10.1107/S0108270194010942","","","0.7093","MolybdenumKα~1~","","","0.05","","","0.046","","","","","1.54","1.54","","","","","has coordinates","190984","2020-10-21","18:00:00",""
"2003332","10.0077","0.0006","10.0077","0.0006","7.4342","0.0008","90","","90","","120","","644.81","0.09","295","2","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- F O12 Sr5 V3 -","- F0.98 Nd0.061 O12 Sr4.909 V2.916 -","- F1.96 Nd0.122 O24 Sr9.818 V5.832 -","2","0.166667","DU1084","Corker, D. L.; Chai, B. H. T.; Nicholls, J.; Loutts, G. B.","Neodymium-Doped Sr~5~(PO~4~)~3~F and Sr~5~(VO~4~)~3~F","Acta Crystallographica Section C","1995","51","4","549","551","10.1107/S0108270194006906","","","0.71069","MoKα","","","0.022","","","0.027","","","","","0.87","0.87","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003333","9.7156","0.0004","9.7156","0.0004","7.281","0.0003","90","","90","","120","","595.2","0.04","295","2","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- F O12 P3 Sr5 -","- F Nd0.027 O12 P2.925 Sr4.959 -","- F2 Nd0.054 O24 P5.85 Sr9.918 -","2","0.166667","DU1084","Corker, D. L.; Chai, B. H. T.; Nicholls, J.; Loutts, G. B.","Neodymium-Doped Sr~5~(PO~4~)~3~F and Sr~5~(VO~4~)~3~F","Acta Crystallographica Section C","1995","51","4","549","551","10.1107/S0108270194006906","","","0.71069","MoKα","","","0.023","","","0.029","","","","","0.84","0.84","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003334","9.987","0.004","12.937","0.004","8.921","0.002","90","","90","","90","","1152.6","0.6","295","","","","","","","","","","benzene-acetic acid (9:1)","3","P 21 21 2","P 2 2ab","18","","","","- C14 H10 O4 -","- C14 H10 O4 -","- C56 H40 O16 -","4","1","FG1008","Parvez, M.; Simion, D.; Lario, P.; Sorensen, T. S.","Absolute Configuration of (<i>S</i>,<i>S</i>)-1,2-Dihydro-1,2-<i>trans</i>-acenaphthylenedicarboxylic Acid","Acta Crystallographica Section C","1995","51","4","644","646","10.1107/S0108270194011480","","","0.71069","MoKα","","","0.0414","","","0.0457","","","","","1.97","1.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003335","8.155","0.013","8.546","0.008","8.681","0.011","102.47","0.09","117.42","0.11","93.41","0.11","515.5","1.3","291","2","291","2","","","","","cooling to 253 K","","","4","P -1","-P 1","2","","Bis(η^5^-indenyl)tetrakis(μ~2~-iodo)dimolybdenum","","- C18 H14 I4 Mo2 -","- C18 H14 I4 Mo2 -","- C18 H14 I4 Mo2 -","1","0.5","FG1020","Falvello, L. R.; Mattamana, S. P.; Poli, R.","Bis(η^5^-indenyl)tetrakis(μ-iodo)dimolybdenum(<i>Mo</i>—<i>Mo</i>)","Acta Crystallographica Section C","1995","51","4","569","571","10.1107/S010827019400870X","","","0.71073","MoKα","","0.0755","0.0467","","0.1148","0.101","","","","1.02","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003336","12.398","0.002","10.057","0.001","10.177","0.001","90","","109.65","0.01","90","","1195","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(R*,R*)-α-(1-Methoxy-3-methylenecyclopropyl)-cyclohexanemethanol","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","FG1036","Delanghe, P. H. M.; Lautens, M.; Lough, A. J.","Two Highly Substituted Methylenecyclopropanes","Acta Crystallographica Section C","1995","51","4","700","703","10.1107/S0108270194011182","","","0.71073","MoKα","","0.1272","0.0511","","0.412","0.0799","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003337","11.29","0.002","19.433","0.002","11.782","0.002","90","","118.22","0.02","90","","2277.7","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(R*,R*)-α-(1-Methyl-3-methylenecyclopropyl)-cyclohexanemethanol","","- C12 H20 O -","- C12 H20 O -","- C96 H160 O8 -","8","2","FG1036","Delanghe, P. H. M.; Lautens, M.; Lough, A. J.","Two Highly Substituted Methylenecyclopropanes","Acta Crystallographica Section C","1995","51","4","700","703","10.1107/S0108270194011182","","","0.71073","MoKα","","0.2353","0.0515","","0.0743","0.061","","","","","1.35","1.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003338","10.497","0.002","17.505","0.006","9.903","0.003","90","","113.46","0.05","90","","1669.3","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","bis(isopropyldiphenylphosphineoxide)diiodocobalt(II)","","- C30 H34 Co I2 O2 P2 -","- C30 H34 Co I2 O2 P2 -","- C60 H68 Co2 I4 O4 P4 -","2","1","FG1037","Bauer, S. K.; Willis, C. J.; Payne, N. C.","Diiodobis(isopropyldiphenylphosphine oxide-<i>O</i>)cobalt(II)","Acta Crystallographica Section C","1995","51","4","586","588","10.1107/S0108270194010978","","","0.71073","MoKα","","0.0481","0.0354","","0.0965","0.0865","","","","1.064","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003339","18.205","0.002","7.282","0.002","11.022","0.002","90","","100.62","0.02","90","","1436.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1,1'-Ferrocenediyl)methylphenylsilane","","- C17 H16 Fe Si -","- C17 H16 Fe Si -","- C68 H64 Fe4 Si4 -","4","1","FG1039","Foucher, D. A.; Lough, A. J.; Manners, I.; Rasburn, J.; Vancso, J. G.","The First Unsymmetrically Substituted Ring-Tilted Silicon-Bridged [1]Ferrocenophane","Acta Crystallographica Section C","1995","51","4","580","582","10.1107/S010827019401190X","","","0.71073","MoKα","","0.0738","0.0399","","0.0501","0.0468","","","","","1.55","1.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003340","8.976","0.001","10.8","0.001","27.401","0.003","90","","90","","90","","2656.3","0.5","293","","","","","","","","","","Recrystallized from methanol","3","P 21 21 21","P 2ac 2ab","","","","","- C28 H36 O8 -","- C28 H36 O8 -","- C112 H144 O32 -","4","1","GR0163","Wang, Q.; Tu, Y.","A New Bioactive β-Dihydroagarofuran Sesquiterpenoid","Acta Crystallographica Section C","1995","51","4","732","734","10.1107/S0108270193005219","","","0.7093","MoKα","","","0.037","","","0.035","","","","","0.241","0.241","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003341","6.027","0.003","11.177","0.003","10.715","0.004","90","","97.03","0.04","90","","716.4","0.5","100","0.2","100","0.2","","","","","","","Reaction of 1,4,7-triazacyclononane with (MeO)~2~CHNMe~2~. A clear oil was obtained by vacuum distillation.","3","P 1 21/n 1","-P 2yn","14","","1,4,7-triazatricyclo[5.2.1.0^4.10^]decane","","- C7 H13 N3 -","- C7 H13 N3 -","- C28 H52 N12 -","4","1","HA1126","Blake, A. J.; Fallis, I. A.; Gould, R. O.; Harris, S. G.; Parsons, S.; Ross, S. A.; Schröder, M.","1,4,7-Triazatricyclo[5.2.1.0^4,10^]decane at 100 K","Acta Crystallographica Section C","1995","51","4","738","741","10.1107/S0108270194009546","","","0.71073","MoKα","","0.0868","0.0607","","0.192","0.1578","","","","1.029","1.044","1.044","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003342","5.294","0.002","7.718","0.002","13.274","0.004","83.57","0.02","84.65","0.02","74.94","0.02","519.3","0.3","296","","296","","","","","","","","Synthesized at UMIST","4","P -1","-P 1","2","","2-(2,6-Difluorophenyl)-1,3-dithiane","","- C10 H10 F2 S2 -","- C10 H10 F2 S2 -","- C20 H20 F4 S4 -","2","1","HA1127","Adamson, A. J.; Banks, R. E.; Mothersdale, K. N.; Pritchard, R. G.; Manley, T.; Tipping, A. E.","2-(2,6-Difluorophenyl)-1,3-dithiane and 2-(2,6-Difluorophenyl)-1,3-dithiane 1,1,3,3-Tetraoxide. The Role of Oxidation in Locking a Molecular Conformation","Acta Crystallographica Section C","1995","51","4","772","775","10.1107/S0108270194011364","","","0.71069","MoKα","","","0.0297","","","0.0343","","","","","2.159","2.159","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003343","5.257","0.002","7.332","0.002","15.474","0.005","87.61","0.03","85.91","0.03","78.47","0.03","582.7","0.3","296","","296","","","","","","","","Synthesized at UMIST","5","P -1","-P 1","2","","2-(2,6-Difluorophenyl)-1,3-dithiane-1,1,3,3-tetraoxide","","- C10 H10 F2 O4 S2 -","- C10 H10 F2 O4 S2 -","- C20 H20 F4 O8 S4 -","2","1","HA1127","Adamson, A. J.; Banks, R. E.; Mothersdale, K. N.; Pritchard, R. G.; Manley, T.; Tipping, A. E.","2-(2,6-Difluorophenyl)-1,3-dithiane and 2-(2,6-Difluorophenyl)-1,3-dithiane 1,1,3,3-Tetraoxide. The Role of Oxidation in Locking a Molecular Conformation","Acta Crystallographica Section C","1995","51","4","772","775","10.1107/S0108270194011364","","","0.71069","MoKα","","","0.0301","","","0.0356","","","","","1.492","1.492","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003344","12.392","0.002","5.694","0.0011","19.951","0.003","90","","98.13","0.13","90","","1393.6","0.6","153","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C8 H18 O4 S4 -","- C8 H18 O4 S4 -","- C32 H72 O16 S16 -","4","0.5","HH1027","Freeman, F.; Ma, X.-B.; Ziller, J. W.; Lin, R. I.","Bis(<i>tert</i>-butylsulfonyl) Disulfide","Acta Crystallographica Section C","1995","51","4","661","663","10.1107/S010827019400781X","","","0.71073","MoKα","","","0.041","","","0.045","","","","","1.4","1.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003345","5.9314","0.0008","18.92","0.003","15.866","0.002","90","","91.474","0.012","90","","1779.9","0.4","168","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 S -","- C24 H20 S -","- C96 H80 S4 -","4","1","HH1053","Freeman, F.; Lu, H.; Ziller, J. W.; Rodriguez, E.","3-Benzyl-5-phenyl-2-<i>p</i>-tolylthiophene","Acta Crystallographica Section C","1995","51","4","657","659","10.1107/S0108270194007833","","","0.71073","MoKα","","","0.043","","","0.055","","","","","2.23","2.23","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003346","7.3431","0.0013","7.6239","0.0017","12.2209","0.002","78.411","0.016","78.381","0.014","79.439","0.015","649.2","0.2","158","","","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 S2 -","- C32 H30 S2 -","- C32 H30 S2 -","1","0.5","HH1054","Freeman, F.; Lu, H.; Ziller, J. W.; Rodriguez, E.","(1<i>Z</i>,3<i>Z</i>)-1,4-Diphenyl-1,4-bis(<i>p</i>-tolylmethylthio)-1,3-butadiene","Acta Crystallographica Section C","1995","51","4","659","661","10.1107/S0108270194007845","","","0.71073","MoKα","","","0.043","","","0.049","","","","","1.42","1.42","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003347","15.034","0.002","15.034","0.002","7.187","0.002","90","","90","","120","","1406.8","0.5","296","","","","","","","","","","acetone recrystallization","4","P 32","P 32","","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C63 H84 N6 O6 -","3","1","HR1007","Lisgarten, D. R.; Palmer, R. A.; Maes, D.; Lisgarten, J.; Wyns, L.","Two Steroidal Epimers, (5β,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5β-Epimer) and (5α,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5α-Epimer)","Acta Crystallographica Section C","1995","51","4","666","670","10.1107/S0108270194007237","","","1.5418","CuKα","","0.048","0.048","","0.054","0.052","","","","","","","","","","","has coordinates","281832","2023-03-13","07:38:35",""
"2003348","11.949","0.001","13.284","0.001","11.504","0.001","90","","90","","90","","1826","0.3","296","","","","","","","","","","acetone recrystallization","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C84 H112 N8 O8 -","4","1","HR1007","Lisgarten, D. R.; Palmer, R. A.; Maes, D.; Lisgarten, J.; Wyns, L.","Two Steroidal Epimers, (5β,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5β-Epimer) and (5α,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5α-Epimer)","Acta Crystallographica Section C","1995","51","4","666","670","10.1107/S0108270194007237","","","1.5418","CuKα","","","0.042","","","0.05","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003349","8.205","0.002","14.321","0.005","12.838","0.004","90","","107.73","0.02","90","","1436.9","0.8","293","","","","","","","","","","Phillips (1959)","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","HR1008","Özbey, S.; Kendi, E.; İde, S.; Mak, T. C. W.","2-Methyl-2-(2-methylphenylazo)-1,3-indandione","Acta Crystallographica Section C","1995","51","4","707","709","10.1107/S010827019400867X","","","0.71073","MoKα","","","0.0529","","","0.0565","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003350","7.383","0.001","11.045","0.002","11.253","0.002","92.68","0.02","90.38","0.02","95.93","0.02","911.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","1:1 molecular complex of 2,3,4,5,6-pentafluoro-trans-cinnamic acid and 4-(N,N-dimethylamino)-trans-cinnamic acid","","","- C20 H16 F5 N O4 -","- C20 H16 F5 N O4 -","- C40 H32 F10 N2 O8 -","2","1","HR1028","Goud, B. S.; Reddy, P. K.; Panneerselvam, K.; Desiraju, G. R.","1:1 Molecular Complex of 2,3,4,5,6-Pentafluoro-<i>trans</i>-cinnamic Acid and 4-(<i>N</i>,<i>N</i>-Dimethylamino)-<i>trans</i>-cinnamic Acid","Acta Crystallographica Section C","1995","51","4","683","685","10.1107/S0108270194007894","","","0.71073","MoKα","","0.0479","0.0329","","0.0919","0.0875","","","","0.909","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003351","13.945","0.008","6.751","0.008","19.326","0.003","90","","101.4","0.9","90","","1784","6","293","","","","","","","","","","From layering a solution of (I) in CHCl~3~ with petroleum (333-363 K)--piperidine","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H26 Br4 N4 -","- C44 H26 Br4 N4 -","- C88 H52 Br8 N8 -","2","0.5","HU1026","Zou, J.-Z.; Xu, Z.; Li, M.; You, X.-Z.; Wang, H.-Q.","7,8,17,18-Tetrabromo-5,10,15,20-tetraphenylporphyrin, C~44~H~26~Br~4~N~4~","Acta Crystallographica Section C","1995","51","4","760","761","10.1107/S0108270194000053","","","0.71073","MoKα","","","0.074","","","0.081","","","","","3.89","3.89","","","","","has coordinates","204127","2020-10-21","18:00:00",""
"2003352","9.475","0.001","8.57","0.001","9.194","0.001","90","","97.43","0.009","90","","740.29","0.14","293","","","","","","","","","","recrystallized from CH~2~Cl~2~","4","P 1 21/a 1","-P 2yab","14","","","","- C8 H16 I2 S4 -","- C8 H12 I2 S4 -","- C16 H24 I4 S8 -","2","0.5","HU1090","Baker, P. K.; Harris, S. D.; Durrant, M. C.; Hughes, D. L.; Richards, R. L.","Preparation and Structural Characterization of the Charge-Transfer Complex (12[ane]S~4~.I~2~)~{∞~} (12[ane]S~4~ = 1,4,7,10-Tetrathiacyclododecane)","Acta Crystallographica Section C","1995","51","4","697","700","10.1107/S0108270194010267","","","0.71069","MoKα","","","0.047","","","0.061","","","","","0.66","0.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003353","7.221","0.002","7.262","0.001","14.67","0.002","76.97","0.01","82.28","0.01","79.4","0.01","733.2","0.3","150","2","150","2","","","","","","","Synthesis at Dept of Physics, Univ. of Durham","3","P -1","-P 1","2","Z-β-(1-diethylmethylimmonium)-α-cyano-4-styryldicyanomethanide","","","- C17 H16 N4 -","- C17 H16 N4 -","- C34 H32 N8 -","2","1","HU1101","Cole, J. C.; Howard, J. A. K.; Cross, G. H.; Szablewski, M.","(<i>Z</i>)-{4-[1-Cyano-3-(diethyliminio)-1-propenyl]phenyl}dicyanomethanide, a Novel `Blue Window' Zwitterionic Molecule for Non-Linear Optics","Acta Crystallographica Section C","1995","51","4","715","718","10.1107/S0108270194006487","","","0.71073","MoKα","","0.0965","0.0417","","0.0866","0.0729","","","","1.181","1.28","1.28","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003354","10.06","0.002","19.793","0.004","10.251","0.002","90","","118.9","0.1","90","","1787","1.8","20","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H50 Cl2 N2 O8 Ru2 S2 -","- C28 H50 Cl2 N2 O8 Ru2 S2 -","- C56 H100 Cl4 N4 O16 Ru4 S4 -","2","1","HU1111","Capper, G.; Davies, D. L.; Fawcett, J.; Russell, D. R.","[(η^6^-C~6~H~3~Me~3~)Ru(D-pen)]~2~Cl~2~.4H~2~O","Acta Crystallographica Section C","1995","51","4","578","580","10.1107/S0108270194010218","","","0.7107","MoKα","","","0.0406","","","0.0434","","","","","1.096","1.096","","","","","has coordinates","191022","2020-10-21","18:00:00",""
"2003355","8.563","0.003","21.871","0.001","27.728","0.011","90","","90","","90","","5193","3","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tetrakis(acetonitrile)copper(I) hexafluorophosphate(V) Acetonitrile solvate (1/1)","","- C10 H15 Cu F6 N5 P -","- C10 H15 Cu F6 N5 P -","- C120 H180 Cu12 F72 N60 P12 -","12","3","HU1132","Black, J. R.; Levason, W.; Webster, M.","Tetrakis(acetonitrile-<i>N</i>)copper(I) Hexafluorophosphate(V) Acetonitrile Solvate","Acta Crystallographica Section C","1995","51","4","623","625","10.1107/S0108270194012527","","","0.71069","MoKα","","","0.0539","","","0.0678","","","","","1.09","1.09","","","","","has coordinates","288350","2023-12-15","17:45:49",""
"2003356","9.684","0.002","12.764","0.002","16.773","0.003","76.84","0.01","75.11","0.01","71.03","0.01","1871.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Octacarbonyl-μ-hydrido-dimanganese-μ~3~-cyclohexylphosphanido-gold-tri- cyclohexylphosphine","","- C32 H45 Au Mn2 O8 P2 -","- C32 H45 Au Mn2 O8 P2 -","- C64 H90 Au2 Mn4 O16 P4 -","2","1","JZ1018","Flörke, U.; Haupt, H.-J.","Octacarbonyl-1κ^4^<i>C</i>,2κ^4^<i>C</i>-μ~3~-[cyclohexylphosphanido(2-)]-μ-hydrido-1:2κ^2^<i>H</i>-tricyclohexylphosphine-3κ<i>P</i>-golddimanganese(<i>Mn</i>—<i>Mn</i>)","Acta Crystallographica Section C","1995","51","4","573","575","10.1107/S0108270194011522","","","0.71073","MoKα","","0.0574","0.0397","","0.0935","0.0852","","","","1.022","1.039","1.039","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003357","19.053","0.006","11.451","0.003","19.309","0.003","90","","96.62","0.02","90","","4184.7","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H25 N3 O -","- C25 H25 N3 O -","- C200 H200 N24 O8 -","8","1","KA1084","Böcskei, Z.; Simon, K.; Örfi, L.; Kökösi, J.","Two Antithrombotic Quinazolone Derivatives","Acta Crystallographica Section C","1995","51","4","723","726","10.1107/S0108270194003938","","","1.5418","CuKα","","0.1066","0.0578","","0.2101","0.1641","","","","1.041","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003358","7.423","0.001","20.54","0.001","9.1829","0.0007","90","","101.448","0.008","90","","1372.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C68 H60 N12 O4 -","4","1","KA1084","Böcskei, Z.; Simon, K.; Örfi, L.; Kökösi, J.","Two Antithrombotic Quinazolone Derivatives","Acta Crystallographica Section C","1995","51","4","723","726","10.1107/S0108270194003938","","","1.5418","CuKα","","0.0657","0.053","","0.1602","0.1454","","","","1.122","1.167","1.167","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003359","8.8937","0.0006","7.7404","0.0006","9.5873","0.0006","90","","91.528","0.009","90","","659.76","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","7,7-Dibromo-3-dibromomethylene-2,2-dimethyl-1-hydroxy-8,9,10,trinorbornane","","- C10 H12 Br4 O -","- C10 H12 Br4 O -","- C20 H24 Br8 O2 -","2","1","KA1095","Kubicki, M.; Dutkiewicz, G.; Antkowiak, W. Z.","7,7-Dibromo-3-dibromomethylene-2,2-dimethylnorbornan-1-ol","Acta Crystallographica Section C","1995","51","4","736","738","10.1107/S0108270194009406","","","1.54178","CuKα","","0.033","0.0329","","0.091","0.0909","","","","1.094","1.094","1.094","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003360","8.756","0.004","14.611","0.006","18.979","0.008","90","","101.21","0.04","90","","2381.7","1.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(1,10-phenanthroline)bis(dicyanamide)copper(II)","","- C28 H16 Cu N10 -","- C28 H16 Cu N10 -","- C112 H64 Cu4 N40 -","4","1","KA1097","Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Kabešová, M.; Jäger, L.","Bis(dicyanamide)bis(1,10-phenanthroline)copper(II)","Acta Crystallographica Section C","1995","51","4","600","602","10.1107/S0108270194012084","","","0.71069","MoKα","","0.1193","0.0405","","0.1177","0.0933","","","","0.686","0.79","0.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003361","7.353","0.009","10.805","0.007","9.959","0.011","90","","93.2","0.1","90","","790","1.4","148","2","148","2","","","","","","","slow evaporation from hexane","3","P 1 21 1","P 2yb","4","diosphenol","(Z)-12-hydroxy-14,15-dinorlabda-8(17),11-dien-13-one","","- C18 H28 O2 -","- C18 H28 O2 -","- C36 H56 O4 -","2","1","KH1019","Grant, P. K.; Hanton, L. R.; Wong, G.","(<i>Z</i>)-12-Hydroxy-14,15-dinorlabda-8(17),11-dien-13-one, C~18~H~28~O~2~","Acta Crystallographica Section C","1995","51","4","743","744","10.1107/S0108270194014551","","","0.71069","MoKα","","0.0683","0.0517","","0.1464","0.1357","","","","0.973","1.02","1.02","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003362","9.672","0.002","11.69","0.002","19.184","0.004","90","","95.12","0.02","90","","2160.4","0.7","293","","","","","","","","","","Crystallized from acetonitrile","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N5 O0.5 -","- C10 H12 N5 O0.5 -","- C80 H96 N40 O4 -","8","2","LI1108","Janes, R. W.; Palmer, R. A.","3,5-Diamino-6-(2-methylphenyl)-1,2,4-triazine Monohydrate: an Analogue of Lamotrigine","Acta Crystallographica Section C","1995","51","4","685","688","10.1107/S0108270194009352","","","1.54178","CuKα","","","0.0566","","","0.0767","","","","","1.37","1.37","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003363","8.236","0.003","14.967","0.004","24.032","0.005","90","","90","","90","","2962.4","1.5","293","","293","","","","","","","","recrystallized from a mixture of chloroform and ethanol","4","P 21 21 21","P 2ac 2ab","19","","P-chlorophenyl-3,4,6-tri-O-benzyl-2-deoxy-2-methylene-β-D-glucopyranoside","","- C34 H33 Cl O5 -","- C34 H33 Cl O5 -","- C136 H132 Cl4 O20 -","4","1","LI1117","Kabaleeswaran, V.; Rajan, S. S.; Booma, C.; Balasubramanian, K. K.","<i>p</i>-Chlorophenyl 3,4,6-Tri-<i>O</i>-benzyl-2-deoxy-2-methylene-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","1995","51","4","758","759","10.1107/S0108270194010711","","","1.5418","CuKα","","0.071","0.042","","0.085","0.047","","","","0.65","0.62","0.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003364","10.648","0.002","12.589","0.003","18.594","0.004","90","","90","","90","","2492.5","0.9","233","","233","","","","","","","","synthesized at UMIST","5","P b c a","-P 2ac 2ab","61","","1-Trifluoroacetyl-3-trifluoromethyl-3a,8b-dihydro-1H,4H-indeno[1,2-c]pyrazole","","- C13 H8 F6 N2 O -","- C13 H8 F6 N2 O -","- C104 H64 F48 N16 O8 -","8","1","LI1130","Abdul-Ghani, M.; Pritchard, R. G.; Tipping, A. E.","1-Trifluoroacetyl-3-trifluoromethyl-3a,8b-dihydro-1<i>H</i>,4<i>H</i>-indeno[1,2-<i>c</i>]pyrazole","Acta Crystallographica Section C","1995","51","4","770","772","10.1107/S0108270194011881","","","0.71069","MoKα","","","0.0387","","","0.0458","","","","","1.15","1.15","","","","","has coordinates,has disorder","200173","2020-10-21","18:00:00",""
"2003365","7.447","0.001","10.387","0.002","30.082","0.01","90","","90","","90","","2326.9","0.9","298","","","","","","","","","","synthesis","5","P 21 n b","P -2bc 2a","33","","","","- C14 H36 Cl4 N2 Zn -","- C14 H36 Cl4 N2 Zn -","- C56 H144 Cl16 N8 Zn4 -","4","1","MU1079","Guo, N.; Lin, Y.-H.; Xi, S.-Q.","Bis(<i>n</i>-heptylammonium) Tetrachlorozincate","Acta Crystallographica Section C","1995","51","4","617","619","10.1107/S0108270194009248","","","0.71073","MoKα","","","0.053","","","0.045","","","","","1.181","1.181","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003366","9.601","0.002","13.69","0.002","14.808","0.002","90","","100.83","0.01","90","","1911.7","0.6","183","","","","","","","","","","crystallization from hexane","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 N Ti -","- C20 H32 N Ti -","- C80 H128 N4 Ti4 -","4","1","MU1104","Brady, E.; Telford, J. R.; Mitchell, G.; Lukens, W.","Amidobis(pentamethylcyclopentadienyl)titanium(III)","Acta Crystallographica Section C","1995","51","4","558","560","10.1107/S0108270194005792","","","0.71073","MoKα","","","0.0353","","","0.0447","","","","","1.988","1.988","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003367","6.179","0.001","11.534","0.001","11.609","0.002","90","","95.79","0.01","90","","823.1","0.2","290","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N2 Ni S4 -","- C10 H20 N2 Ni S4 -","- C20 H40 N4 Ni2 S8 -","2","0.5","MU1109","Selvaraju, R.; Panchanatheswaran, K.; Thiruvalluvar, A.; Parthasarathi, V.","Redetermination of Bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)nickel(II)","Acta Crystallographica Section C","1995","51","4","606","608","10.1107/S0108270194010292","","","0.71073","MoKα","","","0.032","","","0.033","","","","","0.61","0.61","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003368","12.835","0.003","17.596","0.003","16.015","0.003","90","","90","","90","","3616.9","1.2","298","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H44 Cl4 O2 P2 Pt2 S2 -","- C26 H44 Cl4 O2 P2 Pt2 S2 -","- C104 H176 Cl16 O8 P8 Pt8 S8 -","4","0.5","MU1113","Francisco, R. H. P.; Gambardella, M. T. P.; Rodrigues, A. M. G. D.; de Souza, G. F.; Filgueiras, C. A. L.","The Dimer [PtCl~2~{P(C~2~H~5~)~3~}{(C~6~H~5~)SOCH~2~}]~2~","Acta Crystallographica Section C","1995","51","4","604","606","10.1107/S0108270194009108","","","0.71069","MoKα","","","0.0383","","","0.0428","","","","","0.89","0.89","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003369","11.925","0.001","13.293","0.003","16.314","0.002","90","","99.21","0.01","90","","2552.7","0.7","295","","","","","","","","","","from CH~2~Cl~2~/hexane","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cl2 P2 Pd -","- C26 H24 Cl2 P2 Pd -","- C104 H96 Cl8 P8 Pd4 -","4","1","MU1120","Singh, S.; Jha, N. K.; Narula, P.; Singh, T. P.","<i>cis</i>-Dichloro[bis(diphenylphosphino)ethane]palladium(II)","Acta Crystallographica Section C","1995","51","4","593","595","10.1107/S0108270194007560","","","1.5418","CuKα","","","0.084","","","0.084","","","","","3.22","3.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003370","8.931","0.002","11.303","0.006","9.143","0.002","90","","103.47","0.02","90","","897.6","0.6","293","1","","","","","","","","","Slow diffusion of water into a methanol solution at 277 K","4","P 1 21/m 1","-P 2yb","11","","","","- C11 H24 B10 Si -","- C11 H24 B10 Si -","- C22 H48 B20 Si2 -","2","0.5","MU1122","McGrath, T. D.; Welch, A. J.","Steric Effects in Heteroboranes. V. 1-Ph-2-Me~3~Si-1,2-<i>closo</i>-C~2~B~10~H~10~","Acta Crystallographica Section C","1995","51","4","651","654","10.1107/S010827019400908X","","","0.71069","MoKα","","","0.0643","","","0.0892","","","","","1.341","1.341","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003371","9.3854","0.0019","10.2938","0.0026","13.061","0.005","68.607","0.025","70.281","0.024","64.998","0.017","1039.4","0.6","293","1","","","","","","","","","slow diffusion of water into a methanol solution at 277K","4","P -1","-P 1","2","","","","- C14 H30 B10 Si -","- C14 H30 B10 Si -","- C28 H60 B20 Si2 -","2","1","MU1123","McGrath, T. D.; Welch, A. J.","Steric Effects in Heteroboranes. VI. 1-Ph-2-^<i>t^</i>BuMe~2~Si-1,2-<i>closo</i>-C~2~B~10~H~10~","Acta Crystallographica Section C","1995","51","4","654","657","10.1107/S0108270194009078","","","0.71069","MoKα","","","0.0836","","","0.0939","","","","","1.351","1.351","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003372","10.076","0.001","11.372","0.001","10.571","0.001","90","","100.33","0.02","90","","1191.6","0.2","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cu N2 O6 -","- C12 H10 Cu N2 O6 -","- C48 H40 Cu4 N8 O24 -","4","1","MU1125","Ravikumar, K.; Swamy, G. Y. S. K.; Venkata Lakshmi, N.","Structure of a Coordination Polymer Reminiscent of the Pleated Sheets Observed in Polypeptides: Diaqua(2,2'-bipyridine-3,3'-dicarboxylato)copper(II)","Acta Crystallographica Section C","1995","51","4","608","611","10.1107/S0108270194009789","","","0.71069","MoKα","","","0.048","","","0.045","","","","","1.47","1.47","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003373","7.997","0.004","9.746","0.006","10.979","0.002","78.87","0.03","70.26","0.03","79.48","0.04","783.8","0.7","296","","","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H34 N2 Ni O4 P2 S4 -","- C26 H34 N2 Ni O4 P2 S4 -","- C26 H34 N2 Ni O4 P2 S4 -","1","0.5","MU1127","Huang, X.-Y.; Xiong, R.-G.; Dong, J.-X.; You, X.-Z.","<i>trans</i>-Bis(<i>O</i>,<i>O</i>'-diethyl dithiophosphato-κ2<i>S</i>,<i>S</i>')bis(isoquinoline-κ<i>N</i>)nickel(II)","Acta Crystallographica Section C","1995","51","4","598","600","10.1107/S0108270194011327","","","0.71069","MoKα","","","0.049","","","0.066","","","","","1.84","1.84","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003374","17.519","0.002","7.1971","0.0008","25.835","0.003","90","","90.487","0.011","90","","3257.3","0.6","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 O18 S3 Ti -","- C21 H29 O18 S3 Ti -","- C84 H116 O72 S12 Ti4 -","4","1","MU1139","Aquino, M. A. S.; Clegg, W.; Liu, Q.-T.; Sykes, A. G.","Hexaaquatitanium(III) Tris(<i>p</i>-Toluenesulfonate) Trihydrate","Acta Crystallographica Section C","1995","51","4","560","562","10.1107/S0108270194010826","","","0.71073","MoKα","","0.1138","0.0656","","0.228","0.1722","","","","1.049","1.048","1.048","","","","","has coordinates,has Fobs","209447","2020-10-21","18:00:00",""
"2003375","7.0278","0.0003","10.855","0.0005","15.6339","0.0007","90","","90","","90","","1192.66","0.09","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 Cl3 N2 O3 -","- C9 H7 Cl3 N2 O3 -","- C36 H28 Cl12 N8 O12 -","4","1","MU1141","Clegg, W.; Pogue, H. J.; Lowe, M. P.; Butterfield, I. M.; Jackson, R. F. W.","<i>p</i>-Nitrobenzyl Trichloroacetimidate","Acta Crystallographica Section C","1995","51","4","741","743","10.1107/S0108270194010838","","","0.71073","MoKα","","0.0251","0.0228","","0.0623","0.0597","","","","1.041","1.031","1.031","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003376","12.636","0.003","12.636","0.003","12.636","0.003","90","","90","","90","","2017.6","0.8","153","0.2","153","0.2","","","","","","","The title compound was prepared according to the literature method (Fischer & Boltcher, 1957) and well-formed colourless octahedral crystals were grown by slow evaporation from nitromethane at room temperature.","5","P a -3","-P 2ac 2ab 3","205","","Bis(η^6^-1,3,5-trimethylbenzene)ruthenium(II) tetrafluoroborate","","- C18 H24 B2 F8 Ru -","- C18 H24 B2 F8 Ru -","- C72 H96 B8 F32 Ru4 -","4","0.166667","MU1142","Blake, A. J.; Dyson, P. J.; Gould, R. O.; Johnson, B. F. G.; Parsons, S.","The Twinned Crystal Structure of Bis(η^6^-mesitylene)ruthenium(II) Tetrafluoroborate at 150 K","Acta Crystallographica Section C","1995","51","4","582","584","10.1107/S0108270194010206","","","0.71073","MoKα","","0.0601","0.0412","","0.182","0.1102","","","","1.171","1.056","1.056","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003377","12.0761","0.0006","12.2729","0.0006","21.0414","0.0014","90","","90","","90","","3118.5","0.3","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H28 N4 O8 Zn2 -","- C28 H28 N4 O8 Zn2 -","- C112 H112 N16 O32 Zn8 -","4","0.5","MU1144","Clegg, W.; Hunt, P. A.; Straughan, B. P.","Contrasting Structures of Two Adducts of Zinc Crotonate with Substituted Pyridines","Acta Crystallographica Section C","1995","51","4","613","617","10.1107/S0108270194011315","","","0.71073","MoKα","","0.0418","0.0288","","0.084","0.074","","","","1.062","1.051","1.051","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003378","10.343","0.002","18.329","0.003","9.671","0.002","90","","117.38","0.02","90","","1628","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O4 Zn -","- C15 H17 N O4 Zn -","- C60 H68 N4 O16 Zn4 -","4","1","MU1144","Clegg, W.; Hunt, P. A.; Straughan, B. P.","Contrasting Structures of Two Adducts of Zinc Crotonate with Substituted Pyridines","Acta Crystallographica Section C","1995","51","4","613","617","10.1107/S0108270194011315","","","0.71073","MoKα","","0.0899","0.0396","","0.1129","0.0851","","","","1.078","1.066","1.066","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2003379","21.47","0.006","16.765","0.002","9.6155","0.0014","90","","90","","90","","3461","1.2","150","0.2","150","0.2","","","","","","","","7","P n a 21","P 2c -2n","33","","Bis(triphenylphosphine)iminium Tetrachloro-oxo-molybdenum(V)","","- C36 H30 Cl4 Mo N O P2 -","- C36 H30 Cl4 Mo N O P2 -","- C144 H120 Cl16 Mo4 N4 O4 P8 -","4","1","MU1151","Blake, A. J.; Parsons, S.; Downs, A. J.; Limberg, C.","Bis(triphenylphosphine)iminium Tetrachlorooxomolybdenum(V) at 150 K","Acta Crystallographica Section C","1995","51","4","571","573","10.1107/S0108270194011303","","","0.71073","MoKα","","0.0546","0.0422","","0.0872","0.078","","","","1.082","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003380","29.835","0.005","19.784","0.002","9.913","0.001","90","","90","","90","","5851.2","1.3","293","","","","","","","","","","Slow evaporation from benzene and acetonitrile solution","4","P 21 21 21","P 2ac 2ab","19","","","","- C52 H78 N10 O11 -","- C52 H71 N10 O11 -","- C208 H284 N40 O44 -","4","1","NA1092","Saviano, M.; Rossi, F.; Filizola, M.; Di Blasio, B.; Pedone, C.","[Aib^5,6^-<small>D</small>-Ala^8^]-Cyclolinopeptide A, Grown from a Benzene/Acetonitrile Mixture","Acta Crystallographica Section C","1995","51","4","663","666","10.1107/S0108270194006864","","","1.54056","CuKα","","","0.068","","","0.071","","","","","2.18","2.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003381","16.031","0.003","16.036","0.002","16.821","0.003","90","","113.74","0.01","90","","3958.3","1.2","294","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H23 Cl4 O3 Rh S3 -","- C9 H23 Cl4 O3 Rh S3 -","- C72 H184 Cl32 O24 Rh8 S24 -","8","2","NA1100","Calligaris, M.; Faleschini, P.","Dimethylacetonylsulfonium Tetrachlorobis(dimethyl sulfoxide-<i>S</i>)rhodate(III)","Acta Crystallographica Section C","1995","51","4","588","591","10.1107/S0108270194010425","","","0.71069","MoKα","","","0.033","","","0.035","","","","","0.389","0.389","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003382","9.386","0.001","27.912","0.003","9.463","0.001","90","","115.27","0.02","90","","2241.9","0.6","295","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H26 N4 O5 -","- C23 H26 N4 O5 -","- C92 H104 N16 O20 -","4","2","NA1107","Didierjean, C.; Aubry, A.; Zouikri, M.; Boussard, G.; Marraud, M.","Z-AzPro-AzPro-OBzl","Acta Crystallographica Section C","1995","51","4","688","690","10.1107/S0108270194012436","","","1.54056","CuKα","","","0.031","","","0.035","","","","","2.37","2.37","","","","","has coordinates","198394","2020-10-21","18:00:00",""
"2003383","10.319","0.001","12.716","0.001","13.9132","0.0007","109.841","0.005","100.207","0.006","101.96","0.008","1618.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dibromobis(4-metoxyphenyl)tellurium(IV)","","- C14 H14 Br2 O2 Te -","- C14 H14 Br2 O2 Te -","- C56 H56 Br8 O8 Te4 -","4","2","NA1109","Farran, J.; Alvarez-Larena, A.; Piniella, J. F.; Germain, G.; Torres-Castellanos, L.","Dibromobis(4-methoxyphenyl)tellurium(IV)","Acta Crystallographica Section C","1995","51","4","639","641","10.1107/S0108270194007122","","","0.71069","MoKα","","0.0592","0.0311","","0.08","0.0776","","","","1.002","1.229","1.229","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003384","15.976","0.004","16.627","0.004","23.67","0.006","90.08","0.02","89.97","0.02","69.16","0.02","5876","3","230","2","230","2","","","","","","","","7","P -1","-P 1","2","","tris[2,3-di(trimethylsilyl)-2,3-dicarba-1-lithia-closo- heptaborane-1κO;4κTb;5κ^2^Tb;6κTb]-tris[2,3-di(trimethylsilyl)-2,3-dicarba- 1-terba-closo-heptaborane-1κO';1κ^4^B;4κLi;5κ^2^Li;6κLi]-tris-μ~4~- tetrahydrofuranyllithium-μ~3~-methoxy-μ~3~-oxide","","- C67 H165 B24 Li6 O5 Si12 Tb3 -","- C67 H165 B24 Li6 O5 Si12 Tb3 -","- C134 H330 B48 Li12 O10 Si24 Tb6 -","2","1","NA1110","Zhang, H.; Oki, A. R.; Wang, Y.; Maguire, J. A.; Hosmane, N. S.","A Trinuclear Terbium(III)‒Carborane Cluster, [C~61~H~159~B~24~Li~6~O~5~Si~12~Tb~3~].C~6~H~6~","Acta Crystallographica Section C","1995","51","4","635","638","10.1107/S0108270194008164","","","0.71073","MoKα","","0.0332","0.0289","","0.0793","0.0737","","","","1.025","1.055","1.055","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003385","5.518","0.001","13.059","0.005","18.246","0.004","90","","90","","90","","1314.8","0.6","298","","","","","","","","","","from methanolic solution","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 O4 -","- C13 H20 N2 O4 -","- C52 H80 N8 O16 -","4","1","NA1115","Bombieri, G.; Del Pra, A.; Ayala, D. J.; Stradi, R.; Mantovanini, M.","(<i>S</i>)-({-})-3-(4-Phenyl-1-piperazinyl)-1,2-propanediol <i>N</i>,<i>N</i>'-Dioxide","Acta Crystallographica Section C","1995","51","4","642","644","10.1107/S0108270194012278","","","0.71069","MoKα","","","0.03","","","0.033","","","","","0.59","0.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003386","12.653","0.001","11.233","0.001","11.388","0.001","90","","98.4","0.01","90","","1601.2","0.2","295","2","295","2","","","","","","","chemical synthesis (Sannicol\`o, 1994).","3","P 1 21/c 1","-P 2ybc","14","","4H-cyclopenta[2,1-b;3,4-b']dithiophene","","- C9 H6 S2 -","- C9 H6 S2 -","- C72 H48 S16 -","8","2","NA1119","Pilati, T.","Five 3,3'-Bridged 2,2'-Dithiophenes","Acta Crystallographica Section C","1995","51","4","690","697","10.1107/S0108270194010516","","","0.71073","MoKα","","","0.031","","","0.035","","","","","1.951","1.951","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2003387","21.792","0.004","21.792","0.004","12.566","0.002","90","","90","","120","","5168","1.6","295","2","295","2","","","","","","","chemical synthesis (Sannicol\'o, 1994).","3","P -3","","","","spiro-[4H-cyclopenta[2,1-b:3,4-b']dithiophene-4,1'-cyclopentane]","","- C13 H12 S2 -","- C13 H12 S2 -","- C234 H216 S36 -","18","3","NA1119","Pilati, T.","Five 3,3'-Bridged 2,2'-Dithiophenes","Acta Crystallographica Section C","1995","51","4","690","697","10.1107/S0108270194010516","","","0.71073","MoKα","","","0.034","","","0.035","","","","","1.654","1.654","","","","","has coordinates","266226","2021-06-07","13:35:46",""
"2003388","14.03","0.002","9.009","0.002","16.306","0.005","90","","113.49","0.02","90","","1890.2","0.8","295","2","295","2","","","","","","","chemical synthesis (Sannicol\`o, 1994).","4","P 1 21/c 1","-P 2ybc","14","","4H,6H-dithieno[3,2-c:2',3'-e]oxepine","","- C10 H8 O S2 -","- C10 H8 O S2 -","- C80 H64 O8 S16 -","8","2","NA1119","Pilati, T.","Five 3,3'-Bridged 2,2'-Dithiophenes","Acta Crystallographica Section C","1995","51","4","690","697","10.1107/S0108270194010516","","","0.71073","MoKα","","","0.032","","","0.036","","","","","1.841","1.841","","","","","has coordinates","266226","2021-06-07","13:35:46",""
"2003389","7.643","0.002","24.604","0.003","7.767","0.001","90","","115.29","0.02","90","","1320.6","0.5","295","2","295","2","","","","","","","chemical synthesis (Sannicoló, 1994).","4","P 1 21/n 1","-P 2yn","14","","6H-4,7,8,10-tetrahydrodithieno[3,2-g,2',3'-i][1,4]dioxacycloundecine,","","- C13 H14 O2 S2 -","- C13 H14 O2 S2 -","- C52 H56 O8 S8 -","4","1","NA1119","Pilati, T.","Five 3,3'-Bridged 2,2'-Dithiophenes","Acta Crystallographica Section C","1995","51","4","690","697","10.1107/S0108270194010516","","","0.71073","MoKα","","","0.032","","","0.038","","","","","2.097","2.097","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003390","7.999","0.001","12.06","0.002","14.93","0.002","90","","102.46","0.01","90","","1406.3","0.4","295","2","295","2","","","","","","","chemical synthesis (Sannicoló, 1994).","4","P 1 21/n 1","-P 2yn","14","","4,6,7,9,10,12-hexahydrodithieno[3,2-c;2',3'-e][1,4,7]trioxacyclotridecine","","- C14 H16 O3 S2 -","- C14 H16 O3 S2 -","- C56 H64 O12 S8 -","4","1","NA1119","Pilati, T.","Five 3,3'-Bridged 2,2'-Dithiophenes","Acta Crystallographica Section C","1995","51","4","690","697","10.1107/S0108270194010516","","","0.71073","MoKα","","","0.035","","","0.046","","","","","2.024","2.024","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003391","14.168","0.002","13.323","0.002","19.47","0.003","90","","106.72","0.01","90","","3519.8","0.9","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H19 F24 N S Sn -","- C31 H19 F24 N S Sn -","- C124 H76 F96 N4 S4 Sn4 -","4","1","NA1120","Freitag, S.; Herbst-Irmer, R.; Ahlemann, J. T.; Roesky, H. W.","{<i>N</i>-(1-Adamantyl)[(pentafluoro-2-propenyl)thio]-amino}(fluoro)bis[2,4,6-tris(trifluoromethyl)phenyl]tin at 153K","Acta Crystallographica Section C","1995","51","4","631","633","10.1107/S0108270194011996","","","0.71073","MoKα","","0.063","0.0422","","0.1022","0.0895","","","","1.034","1.05","1.05","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2003392","10.206","0.002","9.692","0.001","24.498","0.001","90","","91.91","0.02","90","","2421.9","0.5","293","","293","","","","","","","","Janssen Research Foundation, Beerse, Belgium","5","P 1 21/c 1","-P 2ybc","14","","2-Methylthio-10,11-dihydro-11-(4-methylpiperazin-1-yl)dibenzo[b,f]thiepine maleic acid","","- C24 H28 N2 O4 S2 -","- C24 H28 N2 O4 S2 -","- C96 H112 N8 O16 S8 -","4","1","NA1122","Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.","2-Methylthio-10,11-dihydro-11-(4-methylpiperazin-1-yl)dibenzo[<i>b</i>,<i>f</i>]thiepine Maleic Acid (Metitepine Maleate)","Acta Crystallographica Section C","1995","51","4","777","780","10.1107/S0108270194011637","","","1.54184","CuKα","","0.0674","0.0478","","0.173","0.1492","","","","1.051","1.066","1.066","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003393","18.06","0.002","10.716","0.001","22.338","0.002","90","","112.89","0.02","90","","3982.7","0.9","295","","295","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","1,2-Bis-crown-5-calix [4] arene","","- C44 H52 O10 -","- C44 O10 -","- C176 O40 -","4","1","PA1099","Pèpe, G.; Astier, J.-P.; Estienne, J.; Bressot, C.; Asfari, Z.; Vicens, J.","1,2-Bis-crown-5-calix[4]arene","Acta Crystallographica Section C","1995","51","4","726","729","10.1107/S0108270194002994","","","1.5416","CuKα","","0.11","0.11","","0.11","0.11","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003394","7.799","0.001","8.132","0.002","8.823","0.001","99.48","0.01","93.84","0.01","117.02","0.02","485.24","0.17","293","","","","","","","","","","\'evaporation d'une solution aqueuse","6","P -1","-P 1","2","","","","- C10 H24 Cl4 N4 Pd S2 -","- C10 H24 Cl4 N4 Pd S2 -","- C10 H24 Cl4 N4 Pd S2 -","1","0.5","PA1105","Viossat, B.; Nguyen-Huy, D.; Rodier, N.","Isotypie Entre les Structures Cristallines des Tétrachlorocuprate(II) et Tétrachloropalladate(II) de <i>S</i>,<i>S</i>'-(Octane-1,8-diyle)bis(thiouronium)","Acta Crystallographica Section C","1995","51","4","628","629","10.1107/S0108270194007432","","","0.7107","MoKᾱ","","","0.023","","","0.029","","","","","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003395","31.1","0.01","9.452","0.005","9.507","0.004","90","","90","","90","","2795","2","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 O10 -","- C28 H30 O10 -","- C112 H120 O40 -","4","1","PA1115","Cousson, A.; Dancy, I.; Beau, J.-M.","(1<i>R</i>)-4,5-Benzocyclodeca-4-ene-2,6-diyn-1-yl 2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside and 4,5-Benzocyclodeca-4-ene-2,6-diyn-1-one","Acta Crystallographica Section C","1995","51","4","718","721","10.1107/S0108270194008048","","","1.5418","CuKα","","","0.065","","","0.078","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003396","18.548","0.009","11.886","0.005","9.393","0.003","90","","90","","90","","2070.8","1.5","293","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H10 O -","- C14 H10 O -","- C112 H80 O8 -","8","1","PA1115","Cousson, A.; Dancy, I.; Beau, J.-M.","(1<i>R</i>)-4,5-Benzocyclodeca-4-ene-2,6-diyn-1-yl 2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside and 4,5-Benzocyclodeca-4-ene-2,6-diyn-1-one","Acta Crystallographica Section C","1995","51","4","718","721","10.1107/S0108270194008048","","","1.5418","CuKα","","","0.048","","","0.028","","","","","1.12","1.12","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003397","7.813","0.002","11.83","0.002","19.022","0.006","90","","100.61","0.03","90","","1728.1","0.8","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-Phenyl-4-oxo-tricyclo-3-aza-10-oxa[5.2.1.0^1,5^]-dec-8-ene- 6-carboxylic acid","","- C17 H19 N O5 S -","- C17 H19 N O5 S -","- C68 H76 N4 O20 S4 -","4","1","PA1143","Pèpe, G.; Reboul, J.-P.; Brun, P.; Zylber, J.","3-Oxo-2-phenyl-3a,4,5,7a-tetrahydro-5,7a-epoxyisoindoline-4-carboxylic Acid in Two Crystalline Phases, Solvated with DMSO and Unsolvated","Acta Crystallographica Section C","1995","51","4","729","732","10.1107/S010827019401142X","","","1.5418","CuKα","","0.044","0.044","","0.044","0.044","","","","0.74","0.74","0.74","","","","","has coordinates","198395","2020-10-21","18:00:00",""
"2003398","16.961","0.005","13.219","0.002","11.598","0.002","90","","81.41","0.02","90","","2571.2","1","293","","293","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C120 H104 N8 O32 -","8","1","PA1143","Pèpe, G.; Reboul, J.-P.; Brun, P.; Zylber, J.","3-Oxo-2-phenyl-3a,4,5,7a-tetrahydro-5,7a-epoxyisoindoline-4-carboxylic Acid in Two Crystalline Phases, Solvated with DMSO and Unsolvated","Acta Crystallographica Section C","1995","51","4","729","732","10.1107/S010827019401142X","","","1.5418","CuKα","","0.041","0.041","","0.041","0.041","","","","0.93","0.93","0.93","","","","","has coordinates","218197","2020-10-21","18:00:00",""
"2003399","19.051","0.003","26.274","0.004","9.487","0.003","90","","90","","90","","4748.7","1.8","173","1","173","1","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","2,2',3,3'-Tetra-O-benzoyl-6,6'-dideoxy-4,4'-di-O-mesyl- 6,6'-dithiocyanato-α,α-trehalose","2,3-di-O-benzoyl-6-deoxy-4-O-mesyl-6-thiocyanato-α-D-glucoopyranosyl 2,3-di-O-benzoyl-6-deoxy-4-O-mesyl-6-thiocyanato-α-D-glucoopyranoside","","- C44 H40 N2 O17 S4 -","- C44 H40 N2 O17 S4 -","- C176 H160 N8 O68 S16 -","4","1","PA1147","Linden, A.; Lee, C. K.","2,2',3,3'-Tetra-<i>O</i>-benzoyl-6,6'-dideoxy-4,4'-di-<i>O</i>-mesyl-6,6'-dithiocyanato-α,α-trehalose","Acta Crystallographica Section C","1995","51","4","751","754","10.1107/S0108270194011595","","","0.71069","MoKα","","0.0679","0.0373","","0.0423","0.0381","","","","","1.376","1.376","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003400","15.62","0.002","6.887","0.002","13.616","0.002","90","","91.82","0.01","90","","1464","0.5","173","1","173","1","","","","","","","Suitable crystals of the title compound were obtained from aqueous solution.","4","C 1 2/c 1","-C 2yc","15","","N,N-dimethyl-1H-pyrrole-2-carboxamide","","- C7 H10 N2 O -","- C7 H10 N2 O -","- C56 H80 N16 O8 -","8","1","PA1149","Linden, A.; Wright, A. D.; König, G. M.","<i>N</i>,<i>N</i>-Dimethyl-1<i>H</i>-pyrrole-2-carboxamide","Acta Crystallographica Section C","1995","51","4","744","747","10.1107/S0108270194011285","","","0.71069","MoKα","","0.1618","0.0442","","0.0461","0.0353","","","","","1.611","1.611","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2003401","6.771","0.004","7.516","0.002","15.765","0.004","85.19","0.02","80","0.02","79.52","0.04","775.8","0.6","293","2","293","2","","","","","","","crystallisation from dry acetone containing small amounts of methanol","5","P -1","-P 1","2","","N-n-octyl-N,N-dimethylammonio acetic acid bromide","","- C12 H26 Br N O2 -","- C12 H26 Br N O2 -","- C24 H52 Br2 N2 O4 -","2","1","SE1060","Rudert, R.; Schulz, B.; Reck, G.; Vollhardt, D.; Kriwanek, J.","(Carboxymethyl)dimethyloctylammonium Bromide","Acta Crystallographica Section C","1995","51","4","766","768","10.1107/S0108270194006554","","","0.71069","MoKα","","","0.039","","","0.045","","","","","1.604","1.604","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003402","16.154","0.003","16.483","0.006","11.454","0.006","90","","90","","90","","3050","2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","1,3-bis[(3-dimethylethylammonium)propyl]-1,1,3,3-tetramethyldisiloxan- diperchlorate","","- C18 H46 Cl2 N2 O9 Si2 -","- C18 H46 Cl2 N2 O9 Si2 -","- C72 H184 Cl8 N8 O36 Si8 -","4","0.5","SE1066","Rudert, R.; Schmaucks, G.; Zobel, D.; Strumpel, M.","3,3'-(1,1,3,3,-Tetramethyldisiloxane-1,3-diyl)bis(<i>N</i>-ethyl-<i>N</i>,<i>N</i>-dimethyl-1-propanaminium) Diperchlorate at 163 K and Room Temperature","Acta Crystallographica Section C","1995","51","4","763","766","10.1107/S0108270194008073","","","0.71069","MoKα","","","0.082","","","0.062","","","","","4.02","4.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003403","15.676","0.003","16.433","0.005","11.316","0.003","90","","90","","90","","2915","1.3","163","2","163","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","1,3-bis[(3-dimethylethylammonium)propyl]-1,1,3,3-tetramethyldisiloxan- diperchlorate","","- C18 H46 Cl2 N2 O9 Si2 -","- C18 H46 Cl2 N2 O9 Si2 -","- C72 H184 Cl8 N8 O36 Si8 -","4","0.5","SE1066","Rudert, R.; Schmaucks, G.; Zobel, D.; Strumpel, M.","3,3'-(1,1,3,3,-Tetramethyldisiloxane-1,3-diyl)bis(<i>N</i>-ethyl-<i>N</i>,<i>N</i>-dimethyl-1-propanaminium) Diperchlorate at 163 K and Room Temperature","Acta Crystallographica Section C","1995","51","4","763","766","10.1107/S0108270194008073","","","1.54178","CuKα","","","0.06","","","0.045","","","","","2.69","2.69","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003404","15.121","0.002","8.475","0.002","18.357","0.002","90","","105.6","0.02","90","","2265.8","0.7","293","2","293","2","","","","","","","erstmalige Darstellung im st\""ochiometrischen Ansatz aus den Komponenten KI, I~2~, 2.2-Crypt.","6","C 1 2/c 1","-C 2yc","15","Kalium(2.2-Crypt)triiodid","Kalium-1,4,10,13-Tetraoxa-7,16-diazacyclooctadecan-triiodid","","- C12 H26 I3 K N2 O4 -","- C12 H26 I3 K N2 O4 -","- C48 H104 I12 K4 N8 O16 -","4","0.5","SE1068","Tebbe, K.-F.; Kavoosian, A.","Kalium-2,2-Crypt-triiodid","Acta Crystallographica Section C","1995","51","4","562","565","10.1107/S010827019401005X","","","0.71069","MoKα","","0.041","0.0332","","0.1032","0.1003","","","","1.465","1.534","1.534","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003405","9.71","0.001","7.386","0.001","15.236","0.001","90","","90.67","0.01","90","","1092.6","0.2","193","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N Si3 -","- C21 H27 N Si3 -","- C42 H54 N2 Si6 -","2","1","SE1070","Mitzel, N. W.; Riede, J.; Schier, A.; Schmidbaur, H.","Tris(<i>p</i>-tolylsilyl)amine","Acta Crystallographica Section C","1995","51","4","756","758","10.1107/S0108270194012163","","","0.71073","MoKα","","","0.028","","","0.0304","","","","","0.411","0.411","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003406","6.791","0.003","7.554","0.004","18.304","0.007","89.89","0.05","84.06","0.04","81.94","0.08","924.6","0.8","294","","","","","","","","","","","5","P -1","-P 1","2","","N-n-octyl-N,N-dimethylammonio acetic acid bromide","","- C15 H32 Br N O2 -","- C15 H31 Br N O2 -","- C30 H62 Br2 N2 O4 -","2","1","SE1072","Rudert, R.; Schulz, B.; Reck, G.; Vollhardt, D.; Kriwanek, J.","(Carboxymethyl)dimethylundecylammonium Bromide","Acta Crystallographica Section C","1995","51","4","768","770","10.1107/S0108270194011443","","","0.71073","MoKα","","","0.06","","","0.055","","","","","0.928","0.928","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003407","9.6093","0.0009","9.606","0.001","10.118","0.001","81.581","0.009","77.02","0.01","72.97","0.01","866.93","0.16","300","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 I Sn -","- C18 H15 I Sn -","- C36 H30 I2 Sn2 -","2","1","TA1013","Ng, S. W.","Triphenyltin Iodide","Acta Crystallographica Section C","1995","51","4","629","631","10.1107/S0108270194012400","","","0.71073","MoKα","","","0.028","","","0.03","","","","","0.403","0.403","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003408","13.944","0.004","5.823","0.002","15.172","0.005","90","","105.86","0.02","90","","1185","0.7","296","","","","","","","","","","from 99.7% ethanol","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O S -","- C14 H13 O S -","- C56 H52 O4 S4 -","4","1","AB1139","He, Y.; Su, G.; Shi, J.","3-(4-Methylphenyl)-1-(3-thienyl)-2-propen-1-one","Acta Crystallographica Section C","1995","51","5","989","991","10.1107/S0108270194008346","","","0.71069","MoKα","","","0.058","","","0.079","","","","","2.4","2.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003409","10.167","0.005","8.797","0.003","13.155","0.007","90","","96.41","0.04","90","","1169.2","0.9","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","AB1153","Hökelek, T.; Gündüz, N.; Hayvali, Z.; Kilic, Z.","Schiff Bases and Their Complexes with Metal Ions. I. 2-Hydroxy-<i>N</i>-<i>n</i>-propyl-1-naphthaldimine (1) and Bis(2-hydroxy-κ<i>O</i>-<i>N</i>-<i>n</i>-propyl-1-naphthaldiminato-κ<i>N</i>)nickel(II) (2)","Acta Crystallographica Section C","1995","51","5","880","884","10.1107/S0108270194009480","","","1.5418","CuKα","","","0.055","","","0.064","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003410","10.655","0.005","10.688","0.005","12.575","0.005","119.27","0.03","96.56","0.03","103.23","0.04","1172.1","1.1","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 Ni O2 -","- C28 H28 N2 Ni O2 -","- C56 H56 N4 Ni2 O4 -","2","1","AB1153","Hökelek, T.; Gündüz, N.; Hayvali, Z.; Kilic, Z.","Schiff Bases and Their Complexes with Metal Ions. I. 2-Hydroxy-<i>N</i>-<i>n</i>-propyl-1-naphthaldimine (1) and Bis(2-hydroxy-κ<i>O</i>-<i>N</i>-<i>n</i>-propyl-1-naphthaldiminato-κ<i>N</i>)nickel(II) (2)","Acta Crystallographica Section C","1995","51","5","880","884","10.1107/S0108270194009480","","","1.5418","CuKα","","","0.044","","","0.064","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003411","11.6125","0.0009","12.6271","0.0012","16.45","0.0014","86.415","0.007","87.307","0.007","63.307","0.007","2150.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","1-triphenylphosphine-μ^3^-(2,7,11)-triphenylphosphinecupradihydrido- closo-1,2-telluracupraoctahydrododecaborane","","- C37 H42 B10 Cl2 Cu2 P2 Te -","- C37 H42 B10 Cl2 Cu2 P2 Te -","- C74 H84 B20 Cl4 Cu4 P4 Te2 -","2","1","AB1219","Thornton-Pett, M.; Kennedy, J. D.; Faridoon; Spalding, T. R.","{<i>exo</i>-2,7,11-μ~3~-[(μ-H)~2~Cu(PPh~3~)]-2-(PPh~3~)-<i>closo</i>-2,1-CuTeB~10~H~8~}.CH~2~Cl~2~","Acta Crystallographica Section C","1995","51","5","840","843","10.1107/S0108270194010917","","","0.71069","MoKα","","0.0546","0.0482","","0.1324","0.1267","","","","1.029","1.066","1.066","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003412","13.0681","0.0005","6.1093","0.0002","9.7006","0.0003","79.535","0.002","107.879","0.002","93.968","0.002","724.73","0.04","292","","","","","","","","","","","2","P -1","-P 1","2","","endo-3,3-Diphenyltricyclo[3.2.1.0^2,4^]oct-6-ene","","- C20 H18 -","- C20 H18 -","- C40 H36 -","2","1","AB1249","Peeran, M.; Wilt, J. W.; Zaluzec, E. J.; Pavkovic, S. F.","<i>endo</i>-3,3-Diphenyltricyclo[3.2.1.0^2,4^]oct-6-ene","Acta Crystallographica Section C","1995","51","5","952","954","10.1107/S0108270195000771","","","1.5418","CuKα","","","0.07","","","0.087","","","","","0.8245","0.8245","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2003413","8.382","0.003","14.457","0.004","4.868","0.003","94.84","0.04","104.31","0.04","77.68","0.02","558.1","0.4","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C26 H20 N8 O2 -","2","1","AS1131","Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.","A 1,2-Dihydrodipyrido[1,2-<i>b</i>:3',2'-<i>d</i>]pyrazol-2-one","Acta Crystallographica Section C","1995","51","5","942","944","10.1107/S0108270194012977","","","0.71069","MoKα","","","0.046","","","0.054","","","","","1.63","1.63","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003414","9.593","0.003","15.915","0.002","11.427","0.002","90","","113.89","0.013","90","","1595.1","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[(R)-1,2-diethoxycarbonylethyl] bis(dimethylglyoximato)(diphenylmethylphosphine)cobalt(III)","","- C29 H40 Co N4 O8 P -","- C29 H40 Co N4 O8 P -","- C58 H80 Co2 N8 O16 P2 -","2","1","AS1134","Yamada, T.; Sekine, A.; Uekusa, H.; Ohashi, Y.; Arai, Y.; Ohgo, Y.","[(<i>R</i>)-1,2-Diethoxycarbonylethyl]bis(dimethylglyoximato)(methyldiphenylphosphine)cobalt(III)","Acta Crystallographica Section C","1995","51","5","828","831","10.1107/S0108270194012564","","","0.71073","MoKα","","0.08","0.044","","0.111","0.098","","","","1.028","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003415","13.6382","0.0005","13.9275","0.0008","7.7297","0.0004","90","","90","","90","","1468.23","0.13","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N-diisopropyl(o-methylphenyl)glyoxylamide","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","AS1136","Hashizume, D.; Kogo, H.; Sekine, A.; Ohashi, Y.; Miyamoto, H.; Toda, F.","Stereochemistry of Asymmetric β-Lactam Formation Involving Achiral Glyoxylamide Derivatives","Acta Crystallographica Section C","1995","51","5","929","933","10.1107/S0108270194012412","","","1.54178","CuKα","","","0.055","","","0.067","","","","","8.69","8.69","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003416","15.438","0.002","15.343","0.002","12.685","0.001","90","","90","","90","","3004.6","0.6","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N-diisopropyl(p-methylphenyl)glyoxylamide","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C120 H168 N8 O16 -","8","1","AS1136","Hashizume, D.; Kogo, H.; Sekine, A.; Ohashi, Y.; Miyamoto, H.; Toda, F.","Stereochemistry of Asymmetric β-Lactam Formation Involving Achiral Glyoxylamide Derivatives","Acta Crystallographica Section C","1995","51","5","929","933","10.1107/S0108270194012412","","","1.54178","CuKα","","","0.081","","","0.074","","","","","6.3","6.3","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003417","16.3","0.008","6.331","0.002","7.461","0.002","90","","95.31","0.05","90","","766.6","0.5","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N-diisopropyl(m,p-dimethylphenyl)glyoxylamide","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C32 H46 N2 O4 -","2","1","AS1136","Hashizume, D.; Kogo, H.; Sekine, A.; Ohashi, Y.; Miyamoto, H.; Toda, F.","Stereochemistry of Asymmetric β-Lactam Formation Involving Achiral Glyoxylamide Derivatives","Acta Crystallographica Section C","1995","51","5","929","933","10.1107/S0108270194012412","","","1.54178","CuKα","","","0.061","","","0.062","","","","","9.73","9.73","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003418","14.369","0.001","13.5367","0.0007","8.2496","0.0007","90","","102.33","0.009","90","","1567.6","0.2","298","","","","","","","","","","slow evaporation from benzene solution","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cl N O3 S -","- C16 H14 Cl N O3 S -","- C64 H56 Cl4 N4 O12 S4 -","4","1","AS1137","Shiraga, T.; Iwamoto, T.; Kashino, S.","<i>N</i>-Phenylsulfonyl-<i>N</i>-<i>o</i>-chlorophenylmethacrylamide, C~16~H~14~ClNO~3~S","Acta Crystallographica Section C","1995","51","5","976","978","10.1107/S010827019401200X","","","1.54178","CuKα","","","0.047","","","0.06","","","","","1.412","1.412","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003419","7.964","0.001","8.859","0.001","13.229","0.002","86.34","0.01","73.71","0.01","88.25","0.01","894","0.2","293","","","","","","","","","","Synthesized","4","P -1","-P 1","2","","N-{3-(3,4-Dimethylphenyl)propyl}-4-hydroxy-3-methoxyphenylactamide","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C40 H50 N2 O6 -","2","1","AS1152","Park, N.-S.; Park, I. Y.; Lee, J. C.; Kim, Y. B.","KR-25003, a Potent Analgesic Capsaicinoid","Acta Crystallographica Section C","1995","51","5","927","929","10.1107/S0108270194013879","","","1.5418","CuKα","","0.049","0.047","","0.049","0.048","","","","0.526","0.537","0.537","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2003420","7.652","0.002","9.716","0.002","11.757","0.003","94.66","0.03","98.25","0.04","104.17","0.04","832.5","0.4","298","","","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 Fe2 -","- C23 H20 Fe2 -","- C46 H40 Fe4 -","2","1","BK1059","Trnka, T. M.; Kerber, R. C.","An Unexpected By-Product in the Friedel‒Crafts Acrylation of Ferrocene","Acta Crystallographica Section C","1995","51","5","871","873","10.1107/S0108270194012230","","","0.71073","MoKα","","","0.038","","","0.048","","","","","1.082","1.082","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003421","8.649","0.001","10.794","0.001","15.936","0.002","90","","90","","90","","1487.7","0.3","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C68 H88 O12 -","4","1","BK1064","Abboud, K. A.; Malvestiti, I.; Boldea, L.; Walker, M. A.; Battiste, M. A.","An Intramolecular Diels‒Alder Adduct in the Hydroxy-β-ionone Series","Acta Crystallographica Section C","1995","51","5","995","997","10.1107/S0108270194011972","","","0.71073","MoKα","","","0.0516","","","0.053","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003422","7.265","0.002","7.557","0.002","21.91","0.007","90","","90","","90","","1202.9","0.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","bis(imidazol-2-yl)aminomethane tris(hydrochloride)","","- C7 H12 Cl3 N5 -","- C7 H12 Cl3 N5 -","- C28 H48 Cl12 N20 -","4","1","BK1097","Mendoza-Díaz, G.; Koolhaas, G. J. A. A.; Driessen, W. L.; Reedijk, J.","Bis(2-imidazolyl)aminomethane Tris(hydrochloride)","Acta Crystallographica Section C","1995","51","5","918","920","10.1107/S010827019401320X","","","0.71073","MoKα","","0.076","0.041","","0.057","0.052","","","","1.611","1.826","1.826","","","","","has coordinates","190396","2020-10-21","18:00:00",""
"2003423","7.939","0.006","17.82","0.02","8.734","0.009","90","","94.51","0.08","90","","1232","2","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(3,5-dimethylpyrazolylphosphinato)copper(II)","","- C20 H28 Cu N8 O4 P2 -","- C20 H28 Cu N8 O4 P2 -","- C40 H56 Cu2 N16 O8 P4 -","2","0.5","BK1100","Folkert, S.; Bryan, C. D.; Cordes, A. W.; Tharmaraj, P.; Chandrasekhar, V.","Bis[bis(3,5-dimethyl-1-pyrazolyl)phosphinato]copper(II), [Cu{O~2~P(N~2~C~3~HMe~2~)~2~}~2~]","Acta Crystallographica Section C","1995","51","5","863","865","10.1107/S0108270194013260","","","0.7107","MoKα","","0.053","0.033","","0.059","0.053","","","","","0.94","0.94","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003424","12.313","0.001","15.335","0.002","16.616","0.002","90","","90","","90","","3137.4","0.6","298","","298","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","Tetrapyridinodiiodocopper(II)zinc(II) pyridine","","- C30 H30 Cu0.92 I2 N6 Zn0.08 -","- C30 H30 Cu0.92 I2 N6 Zn0.08 -","- C120 H120 Cu3.68 I8 N24 Zn0.32 -","4","0.25","BR1084","Durand, P. B.; Holt, E. M.","Diiodotetra(pyridine-<i>N</i>)copper(II)zinc(II) Dipyridine","Acta Crystallographica Section C","1995","51","5","850","852","10.1107/S0108270194009285","","","0.71073","MoKα","","","0.0316","","","0.0394","","","","","0.98","0.98","","","","","has coordinates,has disorder","206082","2020-10-21","18:00:00",""
"2003425","13.755","0.002","24.817","0.003","9.101","0.002","90","","90","","90","","3106.7","0.9","294","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","cholesteryl-4-vinylbenzoate","","- C36 H52 O2 -","- C36 H52 O2 -","- C144 H208 O8 -","4","1","CR1099","Socci, E. P.; Farmer, B. L.; Chabinyc, M. L.; Fratini, A. V.; Bunning, T. J.; Adams, W. W.","Cholesteryl 4-Vinylbenzoate","Acta Crystallographica Section C","1995","51","5","888","891","10.1107/S0108270194008541","","","0.71073","Mo_Kα","","","0.071","","","0.064","","","","","1.912","1.912","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2003426","6.6946","0.0002","7.0268","0.0001","8.3216","0.0004","90","","107.21","0.03","90","","373.93","0.06","295","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N2 -","- C8 H10 N2 -","- C16 H20 N4 -","2","0.5","CR1126","Echeverria, G.; Punte, G.; Rivero, B. E.; Barón, M.","Conformational Studies of <i>trans</i>-1,4-Substituted Cyclohexanes. I. <i>trans</i>-1,4-Cyclohexanedicarbonitrile","Acta Crystallographica Section C","1995","51","5","1020","1023","10.1107/S0108270194010991","","","0.7093","MoKα","","","0.04","","","0.039","","","","","2.19","2.19","","","","","has coordinates","278309","2022-10-03","09:59:32",""
"2003427","11.92","0.008","6.885","0.005","6.457","0.003","90","","112.14","0.05","90","","490.8","0.6","295","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H8 Br2 N2 -","- C8 H8 Br2 N2 -","- C16 H16 Br4 N4 -","2","0.25","CR1127","Echeverria, G.; Punte, G.; Rivero, B. E.; Barón, M.","Conformational Studies of <i>trans</i>-1,4-Substituted Cyclohexanes. II. <i>trans</i>-1,4-Dibromo-1,4-cyclohexanedicarbonitrile, C~8~H~8~Br~2~N~2~","Acta Crystallographica Section C","1995","51","5","1023","1026","10.1107/S010827019401098X","","","0.7093","MoKα","","","0.037","","","0.037","","","","","1.39","1.39","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003428","14.589","0.003","13.384","0.003","8.158","0.003","90","","91.65","0.03","90","","1592.3","0.8","294","","","","","","","","","","Prof. Harry Wasserman of Yale University","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 -","- C24 H20 -","- C96 H80 -","4","1","CR1130","Fratini, A. V.; Chabinyc, M. L.; Perko, T. J.; Adams, W. W.","<i>Syn</i> and <i>Anti</i> Isomers of [2.2]Paracyclonaphthane","Acta Crystallographica Section C","1995","51","5","904","908","10.1107/S0108270194009959","","","0.71073","Mo-Kα","","","0.047","","","0.058","","","","","1.347","1.347","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003429","8.371","0.003","11.807","0.004","16.704","0.008","90","","103.49","0.03","90","","1605.4","1.1","294","","","","","","","","","","Prof. Harry Wasserman of Yale University","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 -","- C24 H20 -","- C96 H80 -","4","1","CR1130","Fratini, A. V.; Chabinyc, M. L.; Perko, T. J.; Adams, W. W.","<i>Syn</i> and <i>Anti</i> Isomers of [2.2]Paracyclonaphthane","Acta Crystallographica Section C","1995","51","5","904","908","10.1107/S0108270194009959","","","0.71073","Mo-Kα","","","0.042","","","0.056","","","","","1.431","1.431","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003430","12.286","0.003","12.286","0.003","45.744","0.002","90","","90","","90","","6905","2","222","","","","","","","","","","natural product","4","P 43 21 2","P 4nw 2abw","","","","","- C68 H106 Na2 O16 -","- C68 H106 Na2 O16 -","- C272 H424 Na8 O64 -","4","0.5","CR1138","Shui, X.; Eggleston, D. S.","Two Lasalocid Sodium Salts","Acta Crystallographica Section C","1995","51","5","805","809","10.1107/S0108270194010450","","","1.54184","CuKα","","","0.055","","","0.079","","","","","1.763","1.763","","","","","has coordinates","283803","2023-05-16","08:05:52",""
"2003431","12.9","0.01","17.2","0.02","17.9","0.04","90","","99.79","0.06","90","","3914","10","218","","","","","","","","","","natural product","4","P 1 21 1","","","","","","- C38 H63 Na O9 -","- C40 H58 Na O9 -","- C160 H232 Na4 O36 -","4","2","CR1138","Shui, X.; Eggleston, D. S.","Two Lasalocid Sodium Salts","Acta Crystallographica Section C","1995","51","5","805","809","10.1107/S0108270194010450","","","0.71073","MoKα","","","0.044","","","0.06","","","","","1.857","1.857","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003432","9.4029","0.0006","13.6474","0.001","13.1142","0.001","90","","107.806","0.006","90","","1602.3","0.2","295","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Cl6 -","- C15 H14 Cl6 -","- C60 H56 Cl24 -","4","1","CR1147","Garcia, J. G.; Fronczek, F. R.","<i>endo</i>-1,10,11,12,13,13-Hexachlorotricyclo[8.2.1.0^2,9^]trideca-11-ene","Acta Crystallographica Section C","1995","51","5","987","989","10.1107/S0108270194011479","","","1.54184","CuKα","","","0.056","","","0.08","","","","","2.64","2.64","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003433","9.4675","0.0012","10.1833","0.0013","8.2964","0.001","112.383","0.004","106.408","0.005","91.788","0.004","700.74","0.16","294","","","","","","","","","","","5","P -1","-P 1","2","","1-benzyl-5-methoxycarbonylmethylthio-4-nitroimidazole","","- C13 H13 N3 O4 S -","- C13 H13 N3 O4 S -","- C26 H26 N6 O8 S2 -","2","1","CR1152","Saadeh, H.; Thompson, C. M.; Fernandez, E.; Pavkovic, S. F.","1-Benzyl-5-methoxycarbonylmethylthio-4-nitroimidazole","Acta Crystallographica Section C","1995","51","5","950","952","10.1107/S0108270194013430","","","0.7107","MoKα","","","0.04","","","0.047","","","","","1.175","1.175","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2003434","13.588","0.002","8.286","0.001","14.683","0.002","90","","110.51","0.01","90","","1548.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","JM216","Bis(acetato)-ammine-dichloro-cyclohexylamine platinum(IV)","","- C10 H22 Cl2 N2 O4 Pt -","- C10 H22 Cl2 N2 O4 Pt -","- C40 H88 Cl8 N8 O16 Pt4 -","4","1","CR1156","Neidle, S.; Snook, C. F.; Murrer, B. A.; Barnard, C. F. J.","Bis(acetato)amminedichloro(cyclohexylamine)platinum(IV), an Orally Active Anticancer Drug","Acta Crystallographica Section C","1995","51","5","822","824","10.1107/S0108270194013600","","","1.54051","CuKα","","0.0417","0.037","","0.1147","0.111","","","","0.971","0.981","0.981","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003435","6.025","0.004","7.566","0.004","9.588","0.005","90","","101.64","0.04","90","","428.1","0.4","293","","","","","","","","","","M\'ethanol","4","P 1 c 1","P -2yc","7","","","","- C7 H13 N O4 -","- C7 H13 N O4 -","- C14 H26 N2 O8 -","2","1","DU1031","Oddon, Y.; Reboul, J.-P.; Pèpe, G.; Siri, D.; Pucci, B.; Pavia, A. A.","2-Acrylamido-2-hydroxymethylpropan-1,3-diol","Acta Crystallographica Section C","1995","51","5","974","976","10.1107/S0108270194000636","","","1.5418","CuKα","","","0.031","","","0.031","","","","","0.21","0.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003436","9.1937","0.0007","11.121","0.001","20.014","0.001","90","","90","","90","","2046.3","0.3","295","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Ce Mo8 O14 -","- Ce Mo8 O14 -","- Ce8 Mo64 O112 -","8","1","DU1086","Kerihuel, G.; Gougeon, P.","CeMo~8~O~14~, a Third Crystalline Form of the <i>R</i>Mo~8~O~14~ Series (<i>R</i> = La, Ce, Pr, Nd, Sm)","Acta Crystallographica Section C","1995","51","5","787","790","10.1107/S0108270194010681","","","0.71073","MoKα","","","0.04","","","0.042","","","","","1.582","1.582","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003437","14.883","0.003","12.447","0.004","12.56","0.003","90","","90","","90","","2327","1","293","","","","","","","","","","?","2","P n m a","-P 2ac 2n","62","","","","- Al10 Mn3 -","- Al10.01 Mn2.99 -","- Al120.12 Mn35.88 -","12","1.5","","Pavlyuk, Volodymyr V.; Yanson, Tamara I.; Bodak, Oksana I.; Černý, Radovan; Gladyshevskii, Roman E.; Yvon, Klaus; Stepien-Damm, Julia","Structure Refinement of Orthorhombic MnAl~3~","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","5","792","794","10.1107/s0108270194012965","","","0.71073","MoKα","","","0.045","","","0.025","","","","","1.316","1.316","","","","","has coordinates","200796","2020-10-21","18:00:00",""
"2003439","9.012","0.001","9.012","0.001","8.027","0.001","90","","90","","120","","564.58","0.11","293","","","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- K3 Nb3 O13 Si2 -","- K3 Nb3 O13 Si2 -","- K6 Nb6 O26 Si4 -","2","0.166667","DU1095","Jaulmes, S.; Launay, S.; Mahé, P.; Quarton, M.","Silicatoniobate de Potassium, K~3~Nb~3~O~6~Si~2~O~7~","Acta Crystallographica Section C","1995","51","5","794","796","10.1107/S0108270194012114","","","0.71073","MoKα","","","0.045","","","0.061","","","","","0.8","0.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003440","5.656","0.001","9.066","0.001","10.42","0.001","109.694","0.01","103.062","0.01","90.688","0.01","487.77","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","o-Anisidinium Dihydrogenomonophosphate","","- C7 H12 N O5 P -","- C7 H12 N O5 P -","- C14 H24 N2 O10 P2 -","2","1","DU1096","Ould Abdellahi, M.; Jouini, T.","<i>o</i>-Anisidinium Dihydrogenmonophosphate","Acta Crystallographica Section C","1995","51","5","922","923","10.1107/S0108270194010668","","","0.712","MoKα","","0.0481","0.0408","","0.1644","0.1449","","","","0.253","0.239","0.239","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003441","16.095","0.001","8.49","0.001","16.907","0.0001","90","0.01","116.104","0.001","90","0.01","2074.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","m-Anisidinium Dihydrogenomonophosphate","","- C7 H12 N O5 P -","- C7 H12 N O5 P -","- C56 H96 N8 O40 P8 -","8","2","DU1098","Ould Abdellahi, M.; Jouini, T.","<i>m</i>-Anisidinium Dihydrogenmonophosphate","Acta Crystallographica Section C","1995","51","5","924","926","10.1107/S0108270194011558","","","0.71069","MoKα","","0.0727","0.0484","","0.1064","0.1013","","","","1.282","1.42","1.42","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003442","7.932","0.002","7.321","0.002","10.403","0.003","90","","106.93","0.03","90","","577.9","0.3","293","1","","","","","","","","","recrystallization of the commercial product","4","P 1 21/c 1","-P 2ybc","14","","","","- H8 N2 O6 S -","- H8 N2 O6 S -","- H32 N8 O24 S4 -","4","1","DU1099","Mirceva, A.; Golic, L.","Hydroxylammonium Sulfate","Acta Crystallographica Section C","1995","51","5","798","800","10.1107/S0108270194013351","","","0.71069","MoKα","","","0.026","","","0.026","","","","","0.363","0.363","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003443","9.3781","0.0005","8.2216","0.0006","13.5971","0.0006","90","","104.903","0.004","90","","1013.11","0.1","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","para-Anisidinium Dihydrogénophosphate","","- C7 H12 N O5 P -","- C7 H12 N O5 P -","- C28 H48 N4 O20 P4 -","4","1","DU1105","Ben Amor, F.; Soumhi, E. H.; Ould Abdellahi, M.; Jouini, T.","<i>p</i>-Anisidinium Dihydrogénophosphate","Acta Crystallographica Section C","1995","51","5","933","935","10.1107/S0108270194014289","","","0.71069","MoKα","","0.0441","0.0394","","0.106","0.1033","","","","1.13","1.164","1.164","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003444","13.428","0.002","11.78","0.002","12.318","0.002","90","","115.4","0.01","90","","1760.1","0.5","294","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl3 Mn N2 O3 -","- C16 H14 Cl3 Mn N2 O3 -","- C64 H56 Cl12 Mn4 N8 O12 -","4","1","FG1002","Horwitz, C. P.; Dailey, G. C.; Tham, F. S.","Aquachloro[bis(5-chlorosalicylidene)ethylenediaminato]manganese(III)","Acta Crystallographica Section C","1995","51","5","815","817","10.1107/S0108270194012308","","","0.71069","MoKα","","","0.0311","","","0.0416","","","","","1.0829","1.0829","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003445","14.936","0.004","15.088","0.004","25.727","0.006","90","","92.44","0.02","90","","5792","3","113","","113","","","","","","","","Cram et al. (1987)","4","P 1 21/n 1","-P 2yn","14","","41,42,43,44,45,46,47,48-Octamethoxy-4,9,14,19,24,29,34,39-octamethylnonacyclo (35.3.1.1^2,6^.1^7,11^.1^12,16^.1^17,21^.1^22,26^.1^27,31^.1^32,36^) octatetraconta-1(41),2,4,6(42),7,9,11(43),12,14,16(44),17,19,21(45),22,24,26(46) ,27,29,31(47),32,34,36(48),37,39-tetracosaene dichloromethane clathrate","","- C65 H66 Cl2 O8 -","- C65 H66 Cl4 O8 -","- C260 H264 Cl16 O32 -","4","1","FG1015","Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I.","Octaanisyl Cavitands and a Related Caviplex","Acta Crystallographica Section C","1995","51","5","894","904","10.1107/S0108270194013594","","","1.54184","CuKα","","0.077","0.07","","0.081","0.076","","","","2.81","2.85","2.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003446","14.117","0.006","27.796","0.009","14.845","0.004","90","","94.29","0.03","90","","5809","3","115","","115","","","","","","","","Cram et al. (1987)","3","P 1 21/n 1","-P 2yn","14","","41,42,43,44,45,46,47,48-Octamethoxy-4,9,14,19,24,29,34,39-octamethylnonacyclo (35.3.1.1^2,6^.1^7,11^.1^12,16^.1^17,21^.1^22,26^.1^27,31^.1^32,36^) octatetraconta-1(41),2,4,6(42),7,9,11(43),12,14,16(44),17,19,21(45),22,24,26(46) ,27,29,31(47),32,34,36(48),37,39-tetracosaene ethanol clathrate","","- C66 H70 O9 -","- C70 H64 O11 -","- C280 H256 O44 -","4","1","FG1015","Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I.","Octaanisyl Cavitands and a Related Caviplex","Acta Crystallographica Section C","1995","51","5","894","904","10.1107/S0108270194013594","","","1.54184","CuKα","","0.087","0.082","","0.088","0.085","","","","3.48","3.53","3.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003447","17.088","0.005","19.691","0.006","20.392","0.006","90","","90","","90","","6861","4","115","","115","","","","","","","","Cram et al. (1987)","5","P n a m","-P 2c 2n","62","","Octamethoxy-octamethylnonacyclo(35.3.1.1^2,6^.1^7,11^.1^12,16^.1 ^17,21^.1^22,26^.1^27,31^.1^32,36^)octatetraconta-1(41),2,4,6(42),7,9,11(43),12, 14,16(44),17,19,21(45),22,24,26(46),27,29,31(47),32,34,36(48),37,39-tetracosaene cesium perchlorate dichloromethane clathrate","","- C65 H66 Cl3 Cs O12 -","- C65 H66 Cl6 Cs O12 -","- C260 H264 Cl24 Cs4 O48 -","4","0.5","FG1015","Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I.","Octaanisyl Cavitands and a Related Caviplex","Acta Crystallographica Section C","1995","51","5","894","904","10.1107/S0108270194013594","","","0.71073","MoKα","","0.152","0.091","","0.108","0.079","","","","1.62","1.83","1.83","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003448","7.924","0.002","11.433","0.003","25.541","0.006","79.12","0.02","83.61","0.02","87.6","0.02","2257.7","1","296","","296","","","","","","","","Cram et al. (1987)","3","P -1","-P 1","2","","41,42,43,44,45,46,47,48-Octamethoxynonacyclo(35.3.1.1^2,6^.1^7,11^.1^12,16^.1^ 17,21^.1^22,26^.1^27,31^.1^32,36^)octatetraconta-1(41),2,4,6(42),7,9,11(43),12, 14,16(44),17,19,21(45),22,24,26(46),27,29,31(47),32,34,36(48),37,39 -tetracosaene","","- C56 H48 O8 -","- C57 H48 O9 -","- C114 H96 O18 -","2","1","FG1015","Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I.","Octaanisyl Cavitands and a Related Caviplex","Acta Crystallographica Section C","1995","51","5","894","904","10.1107/S0108270194013594","","","0.71073","MoKα","","0.191","0.112","","0.109","0.096","","","","1.21","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003449","19.942","0.003","19.942","0.003","10.294","0.002","90","","90","","90","","4093.8","1.2","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","(1R*, 2R*, 3R*, 4R*, 7R*)-2,4,7-trimethylcyclohept-5-ene-1,3-diol","","- C10 H18 O2 -","- C10 H18 O2 -","- C160 H288 O32 -","16","1","FG1032","Colucci, J.; Gajda, C.; Lautens, M.; Lough, A. J.","Product of an <i>S</i>~<i>N~</i>2' Ring-Opening Reaction, (1<i>R</i>*,2<i>R</i>*,3<i>R</i>*,4<i>R</i>*,7<i>R</i>*)-2,4,7-Trimethylcyclohept-5-ene-1,3-diol","Acta Crystallographica Section C","1995","51","5","912","914","10.1107/S0108270194011194","","","0.71073","MoKα","","0.1651","0.04","","0.1092","0.0785","","","","1.012","1.158","1.158","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003450","11.071","0.003","18.283","0.003","6.865","0.004","90","","90","","90","","1389.6","0.9","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α,α-galactotrehalose","α-D-galactopyranosyl α-D-galactopyranoside","","- C12 H22 O11 -","- C12 H22 O11 -","- C48 H88 O44 -","4","1","FG1050","Linden, A.; Lee, C. K.","α,α-<i>galacto</i>-Trehalose","Acta Crystallographica Section C","1995","51","5","1012","1016","10.1107/S0108270194014204","","","0.71069","MoKα","","0.0364","0.0315","","0.0311","0.0306","","","","","1.949","1.949","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003451","8","0.004","10.162","0.004","7.198","0.002","107.69","0.03","100.23","0.03","73.48","0.03","531.8","0.4","123","","","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C24 H28 O6 -","2","1","HA1129","Yufit, D. S.; Kozhushkov, S. I.; de Mejere, A.","<i>trans</i>-2-[(Dispiro[2.0.2.1]hept-7-yl)carbonyl]-3-methyl-β-propiolactone","Acta Crystallographica Section C","1995","51","5","948","950","10.1107/S0108270194012333","","","0.71073","MoKα","","","0.038","","","0.037","","","","","2.78","2.78","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003452","5.035","0.001","11.684","0.001","21.792","0.003","90","","90.54","0.02","90","","1281.9","0.3","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N2 O4 S -","- C11 H16 N2 O4 S -","- C44 H64 N8 O16 S4 -","4","1","HA1134","MacNicol, D. D.; Mallinson, P. R.","<i>N</i>,<i>N</i>-Diethyl-4-(methylsulfonyl)-2-nitroaniline","Acta Crystallographica Section C","1995","51","5","926","927","10.1107/S0108270194012916","","","0.71069","MoKα","","","0.044","","","0.053","","","","","2.3","2.3","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003453","6.742","0.001","9.005","0.005","15.932","0.002","92.96","0.02","95.78","0.01","94.45","0.02","957.7","0.6","293","2","293","2","","","","","","","Dr K. Horspool, Aston Univ.","5","P -1","-P 1","2","","3-(2-chlorethyl)-3,3,4-dihydro-4-oxoimidazo[5,1-d]-1,2,3,5-tetrazine-8- carboxylic acid","","- C7 H6 Cl N5 O3 -","- C7 H6 Cl N5 O3 -","- C28 H24 Cl4 N20 O12 -","4","2","HA1135","Lowe, P. R.; Schwalbe, C. H.","8-Acid Derivative of the Antitumour Agent Mitozolomide","Acta Crystallographica Section C","1995","51","5","937","939","10.1107/S0108270194012321","","","0.71069","MoKα","","0.0596","0.0423","","0.1282","0.1238","","","","1.116","1.237","1.237","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003454","13.467","0.001","9.304","0.001","15.752","0.002","90","","109.11","0.01","90","","1864.9","0.4","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N4 Ni O7 -","- C16 H22 N4 Ni O7 -","- C64 H88 N16 Ni4 O28 -","4","1","HR1020","Skoulika, S.; Michaelides, A.; Aubry, A.","Two Ternary Ni^II^ Complexes: Bisglycinato(1,10-phenanthroline)nickel(II) Trihydrate and Bisglycinato(2,2'-bipyridine)nickel(II) Trihydrate","Acta Crystallographica Section C","1995","51","5","843","846","10.1107/S0108270194012709","","","1.5418","CuKα","","","0.058","","","0.071","","","","","1.216","1.216","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003455","12.827","0.001","9.416","0.001","15.716","0.001","90","","109.33","0.01","90","","1791.2","0.3","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 N4 Ni O7 -","- C14 H22 N4 Ni O7 -","- C56 H88 N16 Ni4 O28 -","4","1","HR1020","Skoulika, S.; Michaelides, A.; Aubry, A.","Two Ternary Ni^II^ Complexes: Bisglycinato(1,10-phenanthroline)nickel(II) Trihydrate and Bisglycinato(2,2'-bipyridine)nickel(II) Trihydrate","Acta Crystallographica Section C","1995","51","5","843","846","10.1107/S0108270194012709","","","1.5418","CuKα","","","0.056","","","0.068","","","","","1.886","1.886","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003456","8.6449","0.001","9.9416","0.001","12.892","0.002","90","","94.96","0.09","90","","1103.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Potassium 4-Sulfonatobenzoic acid dihydrate","","- C7 H9 K O7 S -","- C7 H9 K O7 S -","- C28 H36 K4 O28 S4 -","4","1","HU1119","Kariuki, B. M.; Jones, W.","Three Polymorphs of Potassium 4-Sulfonatobenzoic Acid","Acta Crystallographica Section C","1995","51","5","867","871","10.1107/S0108270194012485","","","0.71069","MoKα","","0.0583","0.0335","","0.0859","0.0812","","","","1.063","1.221","1.221","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003457","6.0576","0.001","6.7412","0.001","12.479","0.002","90.278","0.01","95.841","0.01","106.379","0.01","486.07","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Potassium 4-sulfonatobenzoic acid monohydrate","","- C7 H7 K O6 S -","- C7 H7 K O6 S -","- C14 H14 K2 O12 S2 -","2","1","HU1119","Kariuki, B. M.; Jones, W.","Three Polymorphs of Potassium 4-Sulfonatobenzoic Acid","Acta Crystallographica Section C","1995","51","5","867","871","10.1107/S0108270194012485","","","0.71069","MoKα","","0.0343","0.0304","","0.087","0.085","","","","1.095","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003458","6.3113","0.001","7.5404","0.001","9.8868","0.001","103.832","0.01","99.202","0.01","100.707","0.01","438.5","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Potassium 4-sulfonatobenzoic acid","","- C7 H5 K O5 S -","- C7 H5 K O5 S -","- C14 H10 K2 O10 S2 -","2","1","HU1119","Kariuki, B. M.; Jones, W.","Three Polymorphs of Potassium 4-Sulfonatobenzoic Acid","Acta Crystallographica Section C","1995","51","5","867","871","10.1107/S0108270194012485","","","0.71069","MoKα","","0.0438","0.0299","","0.0849","0.0821","","","","1.07","1.165","1.165","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003459","6.646","0.003","20.599","0.006","13.458","0.005","90","","90.61","0.05","90","","1842.3","1.2","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sodium 6-Amino-5-(2-carboxyphenyl)azouracil Heptahydrate","","- C11 H22 N5 Na O11 -","- C11 H22 N5 Na O11 -","- C44 H88 N20 Na4 O44 -","4","1","HU1133","Kivekäs, R.; Pajunen, A.; Colacio, E.; Dominquez-Vera, J. M.; Romerosa, A.","Heptahydrated Monosodium Salt of 6-Amino-5-(2-carboxyphenyl)azouracil","Acta Crystallographica Section C","1995","51","5","939","942","10.1107/S0108270194012539","","","0.71073","MoKα","","0.081","0.081","","0.061","0.061","","","","1.421","1.421","1.421","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003460","9.569","0.0001","17.651","0.002","13.485","0.002","90","","94.26","0.02","90","","2271.4","0.4","293","1","293","1","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","cis,trans-dibromobis(4-methylpyridine) 2,2^'^-bipyridine tungsten(II)","","- C22 H22 Br2 N4 W -","- C22 H22 Br2 N4 W -","- C88 H88 Br8 N16 W4 -","4","1","HU1136","Leban, I.; Brenčič, J. V.; Čeh, B.","<i>cis</i>,<i>trans</i>-(2,2'-Bipyridine-<i>N</i>,<i>N</i>')dibromobis(4-methylpyridine-<i>N</i>)tungsten(II)","Acta Crystallographica Section C","1995","51","5","817","820","10.1107/S0108270194012540","","","0.7093","MoKα","","0.0993","0.0447","","0.1065","0.0893","","","","0.988","1.07","1.07","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003461","10.568","0.004","10.622","0.006","8.545","0.004","106.39","0.04","107.5","0.03","83.38","0.04","877.1","0.8","24","","297","","","","","","","","","3","P 1","P 1","1","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C40 H52 O4 -","2","2","HU1137","Fortes, A. G.; Johnstone, R. A. W.; Whittaker, D.; Lewis, N. J.","Fortesyl 2-Phenylpropionate. An Example of a Novel Hydrocarbon Skeleton Containing Three Fused Five-Membered Rings","Acta Crystallographica Section C","1995","51","5","914","916","10.1107/S0108270194012552","","","0.71069","MoKα","","","0.0712","","","0.068","","","","","2.245","2.245","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003462","11.095","0.007","15.692","0.008","15.173","0.007","90","","109.83","0.04","90","","2485","2","295","","","","","","","","","","synthesis","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H30 Cl4 O5 Ru2 S5 -","- C10 H30 Cl4 O5 Ru2 S5 -","- C40 H120 Cl16 O20 Ru8 S20 -","4","1","JZ1006","Ghosh, P.; Pramanik, A.","Tetrachloropentakis(dimethyl sulfoxide)diruthenium(II)","Acta Crystallographica Section C","1995","51","5","824","825","10.1107/S0108270194012448","","","0.71073","MoKα","","","0.0548","","","0.0631","","","","","2.08","2.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003463","8.133","0.002","11.056","0.002","18.658","0.005","102.27","0.02","91.02","0.02","99.77","0.02","1613.1","0.7","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Cl2 Mn N6 O8.5 -","- C30 H24 Cl2 Mn N6 O13 -","- C60 H48 Cl4 Mn2 N12 O26 -","2","1","JZ1009","Chen, X.-M.; Wang, R.-Q.; Xu, Z.-T.","Tris(2,2'-bipyridine)manganese(II) Perchlorate Hemihydrate","Acta Crystallographica Section C","1995","51","5","820","822","10.1107/S0108270194012242","","","0.71073","MoKα","","","0.0583","","","0.0736","","","","","3.02","3.02","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003464","13.457","0.001","14.082","0.002","18.845","0.001","90","","105.86","0.01","90","","3435.2","0.6","127","2","127","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,3,7,8,12,13,17,18-Octaethylporphinato)perchloratoanganese(III)","","- C36 H44 Cl Mn N4 O4 -","- C36 H44 Cl Mn N4 O4 -","- C144 H176 Cl4 Mn4 N16 O16 -","4","1","JZ1011","Cheng, B.; Scheidt, W. R.","(2,3,7,8,12,13,17,18-Octaethylporphinato)perchloratomanganese(III)","Acta Crystallographica Section C","1995","51","5","825","828","10.1107/S0108270194013181","","","0.71073","MoKα","","0.0612","0.0463","","0.117","0.109","","","","1.067","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003465","7.834","0.002","10.052","0.001","10.467","0.001","82.818","0.008","68.423","0.008","75.53","0.02","741.7","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","trans-Dipyridiniomethane-Tetrafluorodichloroosmate(IV) Hydrate","trans-Dipyridiniomethane-Tetrafluorodichloroosmate(IV) Hydrate","","- C11 H14 Cl2 F4 N2 O Os -","- C11 H14 Cl2 F4 N2 O Os -","- C22 H28 Cl4 F8 N4 O2 Os2 -","2","1","JZ1020","Bruhn, C.; Preetz, W.","Dipyridiniomethane <i>trans</i>-Dichlorotetrafluoroosmate(IV) Hydrate, <i>trans</i>-[(C~5~H~5~N)~2~CH~2~][OsF~4~Cl~2~].H~2~O","Acta Crystallographica Section C","1995","51","5","865","867","10.1107/S0108270194011960","","","0.71069","MoKα","","0.0366","0.0202","","0.0611","0.0484","","","","1.143","1.055","1.055","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003466","24.166","0.003","8.903","0.003","11.84","0.003","90","","95.074","0.003","90","","2537.4","1.1","293","2","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-N'-[1,1'-ditiobis(phenylene)]bis(5'-metoxy-salicylideneimine)","","- C28 H24 N2 O4 S2 -","- C28 H24 N2 O4 S2 -","- C112 H96 N8 O16 S8 -","4","0.5","KA1077","Ruiz-Pérez, C.; González-Platas, J.; Rodríguez-Romero, F. V.; Gili, P.; Martín-Zarza, P.; Martín-Reyes, G.; Solans, X.","4,4'-Dimethoxy-2,2'-[dithiobis(<i>o</i>-phenylenenitrilomethylidyne)]diphenol","Acta Crystallographica Section C","1995","51","5","1016","1018","10.1107/S0108270194008760","","","0.71073","MoKα","","","0.039","","","0.065","","","","","0.879","0.879","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003467","9.976","0.004","29.601","0.006","14.189","0.005","90","","107.74","0.02","90","","3991","2","223","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 N3 O2 P2 Re S3 -","- C40 H35 N3 O2 P2 Re S3 -","- C160 H140 N12 O8 P8 Re4 S12 -","4","1","KA1086","Hübener, R.; Abram, U.; Strähle, J.","<i>trans</i>-Hydroxotris(isothiocyanato)bis(triphenylphosphine)rhenium(IV) Methanol Solvate","Acta Crystallographica Section C","1995","51","5","876","878","10.1107/S0108270194008498","","","0.71073","MoKα","","","0.032","","","0.036","","","","","1.286","1.286","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2003468","8.478","0.003","8.386","0.003","16.719","0.007","90","","92.73","0.03","90","","1187.3","0.8","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","KA1096","Sudha, L.; Subramanian, K.; Sivaraman, J.; Ramakrishnan, V. T.; Steiner, Th.; Koellner, G.","5-(Isopropylamino)-8-methyl-2-quinolone","Acta Crystallographica Section C","1995","51","5","1026","1028","10.1107/S0108270194012813","","","1.54184","CuKα","","","0.0747","","","0.089","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003469","17.721","0.002","19.714","0.002","10.49","0.001","90","","90","","90","","3664.7","0.7","293","2","153","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","1,1-Dimethyl-5-trimethylsilyl-1,3,3a,4,6,7,8,9-octahydro1-silanaphtho- [1,2 c] furan","","- C17 H30 O Si2 -","- C17 H30 O Si2 -","- C136 H240 O8 Si16 -","8","1","KA1100","Pohl, E.; Herbst-Irmer, R.; Groth, U.; Eckenberg, P.","<i>rac</i>-1,1,4-Trimethyl-5-trimethylsilyl-1,3,3a,4,6,7,8,9-octahydro-1-silanaphtho[1,2-<i>c</i>]furan at 153 K","Acta Crystallographica Section C","1995","51","5","891","892","10.1107/S0108270194012576","","","0.71073","MoKα","","0.0464","0.0361","","0.0927","0.0842","","","","1.068","1.063","1.063","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003470","7.275","0.003","7.711","0.0007","14.293","0.001","90.152","0.007","98.77","0.01","100.49","0.02","778.8","0.3","298","3","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H19 Cu N5 O2 S -","- C12 H19 Cu N5 O2 S -","- C24 H38 Cu2 N10 O4 S2 -","2","1","KH1000","Tahirov, T. H.; Lu, T.-H.; Luh, H.; Lai, C.-Y.; Chung, C.-S.","[3,9-Dimethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1‒)](thiocyanato)copper(II) and [3,6,6,9-Tetramethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1‒)](isothiocyanato)copper(II)","Acta Crystallographica Section C","1995","51","5","846","849","10.1107/S0108270194012898","","","0.71073","MoKα","","","0.064","","","0.099","","","","","2.37","2.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003471","8.099","0.002","10.638","0.002","19.87","0.002","90","","92.7","0.02","90","","1710","0.6","298","3","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 Cu N5 O2 S -","- C14 H23 Cu N5 O2 S -","- C56 H92 Cu4 N20 O8 S4 -","4","1","KH1000","Tahirov, T. H.; Lu, T.-H.; Luh, H.; Lai, C.-Y.; Chung, C.-S.","[3,9-Dimethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1‒)](thiocyanato)copper(II) and [3,6,6,9-Tetramethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1‒)](isothiocyanato)copper(II)","Acta Crystallographica Section C","1995","51","5","846","849","10.1107/S0108270194012898","","","0.71073","MoKα","","","0.031","","","0.05","","","","","1.3","1.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003472","8.106","0.002","20.135","0.004","10.399","0.002","90","","102.77","0.03","90","","1655.3","0.6","293","","","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Cl8 Hg4 N4 O4 -","- C16 H36 Cl8 Hg4 N4 O4 -","- C32 H72 Cl16 Hg8 N8 O8 -","2","0.5","KH1002","Wu, D.-D.; Mak, T. C. W.","Mercury(II) Chloride Adduct of a Betaine Derivative: Bis[(dimethyl)(2-dimethylaminoethyl)ammonioacetato]tetrakis[dichloromercury(II)]","Acta Crystallographica Section C","1995","51","5","857","859","10.1107/S0108270194012345","","","0.71073","MoKα","","","0.063","","","0.074","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003473","8.532","0.001","14.946","0.001","12.022","0.001","90","","95.24","0.01","90","","1526.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ethyl 1,2,4,5-tetrahydro-3H,6H,10H-1-benzopyrano[9,9a,1-gh]quinolizin- 10-one-9-oate","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","KH1015","Yip, B.-C.; Fun, H.-K.; Sivakumar, K.; Zhou, Z.-Y.; Shawkataly, O. B.; Teoh, S.-G.","Coumarin 314","Acta Crystallographica Section C","1995","51","5","956","958","10.1107/S010827019401317X","","","0.71073","MoKα","","0.072","0.0432","","0.1322","0.1228","","","","0.98","1.198","1.198","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003474","15.273","0.001","15.273","0.001","27.399","0.003","90","","90","","120","","5535","0.8","293","2","150","1","","","","","","","Crystals were grown from ethyl acetate","5","P 65","P 65","170","","Benzyl 2-acetimido-4-azido-3-O-benzyl-6-O-(tert-butyldiphenylsilyl)- 2,4-dideoxy-β-D-glucopyranoside","","- C38 H42 N4 O6 Si -","- C38 H42 N4 O6 Si -","- C228 H252 N24 O36 Si6 -","6","1","LI1129","Barnes, J. C.; Field, R. A.","Benzyl 2-Acetamido-4-azido-3-<i>O</i>-benzoyl-6-<i>O</i>-(<i>tert</i>-butyldiphenylsilyl)-2,4-dideoxy-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","1995","51","5","1018","1020","10.1107/S0108270194012138","","","0.71069","MoKα","","0.0701","0.04","","0.1141","0.0919","","","","0.562","0.635","0.635","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003475","14.904","0.004","12.434","0.002","8.645","0.003","90","","93.12","0.02","90","","1599.7","0.7","293","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H10 Fe N2 Na O10 -","- C14 H10 Fe N2 Na O10 -","- C56 H40 Fe4 N8 Na4 O40 -","4","1","MU1094","Cousson, A.; Nectoux, F.; Robert, F.; Rizkalla, E. N.","Sodium Bis(dipicolinato)ferrate(III) Dihydrate","Acta Crystallographica Section C","1995","51","5","838","840","10.1107/S0108270194005561","","","0.71073","MoKα","","","0.0306","","","0.0343","","","","","1.08","1.08","","","","","has coordinates","190396","2020-10-21","18:00:00",""
"2003476","10.32","0.008","16.094","0.007","9.546","0.004","105.3","0.04","91.66","0.05","83.68","0.05","1520","1.5","296","","","","","","","","","","recrystallized from ethanol","7","P -1","-P 1","2","","","","- C28 H22 F6 N2 Ni O4 S2 -","- C27 H21 F6 N2 Ni O4 S3 -","- C54 H42 F12 N4 Ni2 O8 S6 -","2","1","MU1115","Xiong, R.-G.; You, X.-Z.; Dong, J.-X.; Huang, X.-Y.","Bis(3-methylpyridine)bis[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]nickel(II)","Acta Crystallographica Section C","1995","51","5","835","837","10.1107/S0108270194011935","","","0.71069","MoKα","","","0.058","","","0.068","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003477","19.951","0.006","7.17","0.002","19.761","0.008","90","","90","","90","","2826.8","1.6","291","","","","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C12 H18 Br N3 O Zn -","- C12 H18 Br N3 O Zn -","- C96 H144 Br8 N24 O8 Zn8 -","8","1","MU1129","Haber, V.; Fábry, J.; Petříček, V.","A New Schiff Base Complex: {<i>N</i>-[3-(2-Aminoethylamino)propyl]salicylideneaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>N</i>''}bromozinc(II)","Acta Crystallographica Section C","1995","51","5","884","887","10.1107/S010827019401245X","","","0.56087","AgKα(Pdfilter)","","","","","","0.0777","","","","","2.65","2.65","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003478","15.75","0.003","6.112","0.002","13.704","0.003","90","","105.98","0.03","90","","1268.2","0.6","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3,5,7-tetramethyl-2,4,6,8(1H,3H,5H,7H)-pyrimido[4,5-g]pteridinetetrone","","- C12 H12 N6 O4 -","- C12 H12 N6 O4 -","- C48 H48 N24 O16 -","4","0.5","MU1130","Romerosa, A.; Colacio, E.; Suárez-Varela, J.; Avila-Rosón, J. C.; Hidalgo, M. A.; Romero-Garzón, J.","Oxidation of 5,6-Diamino-1,3-dimethyluracil by Metal Ions: Structure of 1,3,6,8-Tetramethyl-2,4,7,9(1<i>H</i>,3<i>H</i>,6<i>H</i>,8<i>H</i>)-pyrimido[4,5-<i>g</i>]pteridinetetrone","Acta Crystallographica Section C","1995","51","5","1005","1007","10.1107/S0108270194009595","","","0.71069","MoKα","","0.2251","0.0482","","0.169","0.0526","","","","","2.3091","2.3091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003479","7.349","0.003","7.535","0.003","14.539","0.005","90","","90","","90","","805.1","0.5","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","potassium D-3-phosphoglycerate","","- C3 H6 K O7 P -","- C3 H6 K O7 P -","- C12 H24 K4 O28 P4 -","4","1","MU1133","Lis, T.; Jerzykiewicz, L. B.","Potassium <small>D</small>-3-Phosphoglycerate and Cyclohexylammonium <small>D</small>-3-Phosphoglycerate Hydrate","Acta Crystallographica Section C","1995","51","5","1001","1005","10.1107/S0108270194010474","","","0.71069","MoKα","","0.0313","0.0264","","0.0726","0.0703","","","","1.123","1.131","1.131","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003480","11.332","0.006","22.406","0.011","5.783","0.003","90","","90","","90","","1468.3","1.3","","","85","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Cyclohexylammonium D-3-phosphoglycerate monohydrate","","- C9 H22 N O8 P -","- C9 H22 N O8 P -","- C36 H88 N4 O32 P4 -","4","1","MU1133","Lis, T.; Jerzykiewicz, L. B.","Potassium <small>D</small>-3-Phosphoglycerate and Cyclohexylammonium <small>D</small>-3-Phosphoglycerate Hydrate","Acta Crystallographica Section C","1995","51","5","1001","1005","10.1107/S0108270194010474","","","0.71069","MoKα","","","0.0433","","","0.1037","","","","","1.061","1.061","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003481","15.369","0.004","14.399","0.007","13.772","0.003","90","","90.88","0.07","90","","3047.4","1.8","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis-dioxo ((N,N,N',N'-tetrakis (2-pyridylmethyl-2-ol-1,3-propanediamine) -divanadium (V) Iodide dihydrate ((VO~2~)~2~ (TPHPN))I.2H~2~O","","- C27 H33 I N6 O7 V2 -","- C27 H33 I N6 O7 V2 -","- C108 H132 I4 N24 O28 V8 -","4","1","MU1137","Neves, A.; Vencato, I.; Hörner, M.; Fenner, H.","μ-[<i>N</i>,<i>N</i>-Bis(2-pyridylmethyl-1κ<i>N</i>)-<i>N</i>',<i>N</i>'-bis(2-pyridylmethyl-2κ<i>N</i>)-1,3-diaminopropan-2-olato]-1κ<i>N</i>,2κ<i>N</i>',1:2κ^2^<i>O</i>-bis(dioxovanadium)(1+) Iodide Dihydrate, [(VO~2~)~2~(TPHPN)]I.2H~2~O","Acta Crystallographica Section C","1995","51","5","809","811","10.1107/S0108270194009066","","","0.71073","MoKα","","","0.0424","","","0.0516","","","","","2.7","2.7","","","","","has coordinates","206184","2020-10-21","18:00:00",""
"2003482","7.296","0.004","7.451","0.003","9.333","0.004","87.77","0.05","79.45","0.05","82.03","0.04","493.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","tripotassium phosphoglycolate dihydrate","","- C2 H6 K3 O8 P -","- C2 H6 K3 O8 P -","- C4 H12 K6 O16 P2 -","2","1","MU1147","Lis, T.","Tripotassium Phosphoglycolate Dihydrate and Tris(cyclohexylammonium) Phosphoglycolate Trihydrate","Acta Crystallographica Section C","1995","51","5","997","1001","10.1107/S0108270194011297","","","0.71069","MoKα","","","0.0263","","","0.0665","","","","","1.082","1.082","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003483","22.512","0.009","19.613","0.009","6.201","0.003","90","","90","","90","","2738","2","","","85","2","","","","","","","","5","P n a 21","P 2c -2n","33","","tris(cyclohexylammonium) phosphoglycolate trihydrate","","- C20 H50 N3 O9 P -","- C20 H50 N3 O9 P -","- C80 H200 N12 O36 P4 -","4","1","MU1147","Lis, T.","Tripotassium Phosphoglycolate Dihydrate and Tris(cyclohexylammonium) Phosphoglycolate Trihydrate","Acta Crystallographica Section C","1995","51","5","997","1001","10.1107/S0108270194011297","","","0.71069","MoKα","","","0.0431","","","0.1157","","","","","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003484","7.595","0.005","10.146","0.006","15.005","0.01","77.28","0.05","75.93","0.05","69.39","0.05","1038.2","1.2","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Mn N2 O6 -","- C23 H21 Mn N2 O6 -","- C46 H42 Mn2 N4 O12 -","2","1","MU1150","Dutta, S.; Manivannan, V.; Giri Babu, L.; Pal, S.","A Mononuclear Manganese(III) Schiff Base Complex, [Mn(C~14~H~10~N~2~O~2~)(C~8~H~7~O~3~)(CH~4~O)]","Acta Crystallographica Section C","1995","51","5","813","815","10.1107/S0108270194012151","","","0.71073","MoKα","","","0.047","","","0.0595","","","","","0.9","0.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003485","9.3055","0.0006","8.4118","0.0006","12.3965","0.0007","90","","98.731","0.007","90","","959.1","0.11","293","2","293","2","","","","","","","Laboratory of Medicinal Chemistry, Li\`ege","5","P 1 21/n 1","-P 2yn","14","","3-Methyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate","","- C7 H9 N3 O3 S -","- C7 H9 N3 O3 S -","- C28 H36 N12 O12 S4 -","4","1","MU1153","Dupont, L.; de Tullio, P.; Pirotte, B.; Masereel, B.; Delarge, J.","3-Methyl-4<i>H</i>-pyrido[4,3-<i>e</i>][1,2,4]thiadiazine 1,1-Dioxide Monohydrate","Acta Crystallographica Section C","1995","51","5","946","948","10.1107/S0108270194013235","","","1.5418","CuKα","","0.0394","0.0375","","0.102","0.1012","","","","1.089","1.125","1.125","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003486","13.899","0.002","12.156","0.002","15.781","0.003","90","","105.84","0.02","90","","2565.1","0.8","294","2","294","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Zn(ω-nap)~2~ dipyridine adduct","bis(ω-nitroacetophenonato)Zn(II) cis-dipyridine adduct","","- C26 H22 N4 O6 Zn -","- C26 H22 N4 O6 Zn -","- C104 H88 N16 O24 Zn4 -","4","0.5","MU1155","Falvello, L. R.; Hicke, S.; Mueller, T. E.","<i>cis</i>-Dipyridine Complex of Bis(ω-nitroacetophenonato)zinc(II)","Acta Crystallographica Section C","1995","51","5","859","861","10.1107/S010827019401293X","","","0.71073","MoKα","","0.0749","0.0386","","0.0818","0.0708","","","","1.065","1.101","1.101","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003487","8.186","0.001","11.107","0.001","11.515","0.002","80.28","0.01","76.36","0.03","68.73","0.01","944.1","0.2","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H44 N12 Ni -","- C40 H40 N12 Ni -","- C40 H40 N12 Ni -","1","0.5","NA1102","Muñoz, M. C.; Cano, J.; Ruiz, R.; Lloret, F.; Faus, J.","The 7,7,8,8-Tetracyanoquinodimethane Salt of (<i>C</i>-<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II), [Ni(<i>C</i>-<i>meso</i>-Me~6~[14]aneN~4~)](TCNQ)~2~","Acta Crystallographica Section C","1995","51","5","873","876","10.1107/S0108270194010401","","","0.71069","MoKα","","","0.042","","","0.042","","","","","1.7","1.7","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003488","12.719","0.002","12.906","0.002","16.93","0.003","68.2","0.02","68.23","0.02","64.08","0.02","2247.2","0.8","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H28 Cl3 N4 Rh Sn -","- C44 H28 Cl3 N4 Rh Sn -","- C88 H56 Cl6 N8 Rh2 Sn2 -","2","1","NA1113","Licoccia, S.; Paolesse, R.; Boschi, T.; Bandoli, G.; Dolmella, A.","Trichlorotin(II)‒(<i>meso</i>-Tetraphenylporphyrinato)rhodium(III), a Porphyrin Derivative with an Rh—Sn Bond","Acta Crystallographica Section C","1995","51","5","833","835","10.1107/S0108270194012424","","","0.71073","MoKα","","","0.057","","","0.08","","","","","1.72","1.72","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003489","17.842","0.003","5.489","0.001","20.045","0.002","90","","105.18","0.01","90","","1894.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(Aqua)(glicinato)(3,4,7,8-tetramethyl-1,10-phenanthroline) copper(II)] nitrate.","","- C18 H22 Cu N4 O6 -","- C18 H22 Cu N4 O6 -","- C72 H88 Cu4 N16 O24 -","4","1","NA1125","Alvarez-Larena, A.; Briansó-Penalva, J. L.; Piniella, J. F.; Moreno-Esparza, R.; Ruiz-Ramírez, L.; Ferrer-Sueta, G.","Aqua(glycinato)(3,4,7,8-tetramethyl-1,10-phenanthroline)copper(II) Nitrate","Acta Crystallographica Section C","1995","51","5","852","854","10.1107/S0108270194013041","","","0.71069","MoKα","","0.0467","0.0406","","0.0973","0.0918","","","","1.253","1.245","1.245","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003490","12.995","0.001","7.161","0.001","16.187","0.001","90","","112.37","0.01","90","","1393","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Hydroxyimino-5α,13α,14β,17α-lanosta-8,24-dien-20-oic Acid","","- C30 H47 N O3 -","- C30 H47 N O3 -","- C60 H94 N2 O6 -","2","1","NA1127","Argay, G.; Kálmán, A.; Vladimirov, S.; Zivanov-Stakic, D.; Ribár, B.","3-Hydroxyimino-5α,13α,14β,17α-lanosta-8,24-dien-20-oic Acid","Acta Crystallographica Section C","1995","51","5","958","960","10.1107/S010827019401228X","","","1.5418","CuKα","","0.0348","0.0337","","0.1024","0.0968","","","","1.117","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003491","25.601","0.003","8.3508","0.0014","6.8213","0.001","90","","90","","90","","1458.3","0.4","122","2","122","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(R,S)-1-phenylethylammonium (R,S)-mandelate","(R,S)-1-Phenylethylammonium (R,S)-2-hydroxy-2-phenylethanoate","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","NA1135","Lopez de Diego, H.","(<i>R</i>,<i>S</i>)-1-Phenylethylammonium (<i>R</i>,<i>S</i>)-Mandelate","Acta Crystallographica Section C","1995","51","5","935","937","10.1107/S010827019401303X","","","1.5418","CuKα","","0.0304","0.0288","","0.0764","0.0749","","","","1.053","1.058","1.058","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003492","8.217","0.007","31.54","0.01","10.384","0.004","90","","98.09","0.04","90","","2664","3","293","","293","","","","","","","","Janssen Research Foundation, Belgium","5","P 1 21/n 1","-P 2yn","14","","N-[2-(3-Methoxyphenoxy)propyl]-m-tolylacetamidinium p-Toluenesulfonate Monohydrate","","- C26 H34 N2 O6 S -","- C33 H41 N2 O6 S -","- C132 H164 N8 O24 S4 -","4","1","NA1140","Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.","<i>N</i>-[2-(3-Methoxyphenoxy)propyl]-<i>m</i>-tolylacetamidinium <i>p</i>-Toluenesulfonate Monohydrate (Xylamidine)","Acta Crystallographica Section C","1995","51","5","991","993","10.1107/S0108270194013818","","","1.54184","CuKα","","0.0775","0.0511","","0.1575","0.1389","","","","1.08","1.078","1.078","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003493","10.1429","0.0002","10.1429","0.0002","10.1429","0.0002","90","","90","","90","","1043.49","0.04","295","","","","","","","","","","Powder","3","F d 3 m","F 4d 2 3 -1d","","","","","- O7 Ru2 Y2 -","- O16 Ru Y -","- O128 Ru8 Y8 -","8","","OH1070","Kennedy, B. J.","Structure Refinement of Y~2~Ru~2~O~7~ by Neutron Powder Diffraction","Acta Crystallographica Section C","1995","51","5","790","792","10.1107/S0108270194013168","","neutron","","neutron","","","0.0602","","","0.0794","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003494","11.049","0.004","18.659","0.006","11.602","0.004","90","","117.08","0.02","90","","2129.7","1.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-3-methyl-1-diphenyl-2-butyl 3-acetamidocrotonate","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","PA1050","Chiaroni, A.; Riche, C.; Dumas, F.; Potin, D.; d'Angelo, J.","(±)-3-Methyl-1,1-diphenyl-2-butyl 3-Acetamidocrotonate and its Hydrogenation Product","Acta Crystallographica Section C","1995","51","5","967","970","10.1107/S0108270193007383","","","1.5418","CuKα","","","0.051","","","0.07","","","","","0.67","0.67","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003495","22.41","0.03","20.76","0.02","9.195","0.006","90","","90","","90","","4278","8","293","","293","","","","","","","","from chemical synthesis","4","P c c n","-P 2ab 2ac","56","","(±)-3-methyl-1-diphenyl-2-butyl 3-acetamidobutanoate","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C184 H232 N8 O24 -","8","1","PA1050","Chiaroni, A.; Riche, C.; Dumas, F.; Potin, D.; d'Angelo, J.","(±)-3-Methyl-1,1-diphenyl-2-butyl 3-Acetamidocrotonate and its Hydrogenation Product","Acta Crystallographica Section C","1995","51","5","967","970","10.1107/S0108270193007383","","","1.5418","CuKα","","","0.105","","","0.145","","","","","1.05","1.05","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003496","9.791","0.002","18.974","0.003","10.358","0.002","90","","117.51","0.02","90","","1706.7","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N O6 -","- C17 H23 N O6 -","- C68 H92 N4 O24 -","4","1","PA1057","Bocelli, G.; Cantoni, A.; Bigi, F.; Sartori, G.; Lina, F.","<i>tert</i>-Butyl 2-[(Hydroxy)(5-hydroxy-1,3-benzodioxol-6-yl)methyl]pyrrolidine-1-carboxylate","Acta Crystallographica Section C","1995","51","5","993","995","10.1107/S0108270193014118","","","1.54178","CuKα","","","0.059","","","0.066","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003497","14.29","0.003","13.571","0.002","27.314","0.008","90","","90","","90","","5297","2","296","","","","","","","","","","from acetone","6","P b c a","-P 2ac 2ab","61","","","","- C25 H27 Nb O5 P2 W -","- C25 H27 Nb O5 P2 W -","- C200 H216 Nb8 O40 P16 W8 -","8","1","PA1107","Oudet, P.; Kubicki, M. M.; Moise, C.","Pentacarbonyl-1κ<i>C</i>,2κ^4^<i>C</i>-bis[1,1(η^5^)-cyclopentadienyl](dimethylphenylphosphine-2κ<i>P</i>)-μ-dimethylphosphanido-niobiumtungsten","Acta Crystallographica Section C","1995","51","5","811","813","10.1107/S0108270194007262","","","0.71073","MoKα","","","0.043","","","0.051","","","","","2.22","2.22","","","","","has coordinates","190987","2020-10-21","18:00:00",""
"2003498","8.955","0.005","11.085","0.003","17.45","0.005","83.9","0.02","78.8","0.01","85.3","0.02","1686.2","1.2","293","","293","","","","","","","","","4","P -1","-P 1","2","Sel de maprotiline","N-méthyl-N-[Dibenzo(b,e)]-bicyclo-[2,2,2]-octadi ène]-propylcarbamate de N-méthyl-N-[Dibenzo(b,e)]-bicyclo-[2,2,2]-octadi ène]-propylammonium","","- C41 H47 N2 O2.5 -","- C41 H47 N2 O2.5 -","- C82 H94 N4 O5 -","2","1","PA1112","Brouant, P.; Reboul, J.-P.; Siri, D.; Soyfer, J.-C.; Barbe, J.; Pèpe, G.","Un sel de Maprotiline (Ludiomil), Médicament Psychotrope, C~20~H~24~N^+^.C~21~H~22~NO~2~^{-^}.0,5H~2~O","Acta Crystallographica Section C","1995","51","5","970","974","10.1107/S0108270194006049","","","0.7019","MoKα","","0.041","0.041","","0.042","0.042","","","","1.01","1.01","1.01","","","","","has coordinates","190530","2020-10-21","18:00:00",""
"2003499","18.169","0.003","10.932","0.003","16.12","0.003","90","","117.17","0.02","90","","2848.5","1.2","293","","","","","","","","","","\'evaporation d'une solution m\'ethanolique","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H17 Cl2 N5 O Pt S -","- C6 H17 Cl2 N5 O Pt S -","- C48 H136 Cl16 N40 O8 Pt8 S8 -","8","1","PA1121","Viossat, B.; Nguyen-Huy Dung; Rodier, N.; Bentefrit, F.","Chlorure de <i>cis</i>-Chloro(diméthyl sulfoxyde)(metformine)platine(II)","Acta Crystallographica Section C","1995","51","5","878","880","10.1107/S0108270194009674","","","0.7107","MoKα","","","0.032","","","0.038","","","","","1.2","1.2","","","","","has coordinates","199682","2020-10-21","18:00:00",""
"2003500","8.174","0.001","7.228","0.001","36.114","0.003","90","","86.96","0.01","90","","2130.7","0.4","293","","","","","","","","","","from ethanol/nitromethane (20/80 v/v)","5","C 1 c 1","C -2yc","9","","","","- C21 H35 Cl N2 O -","- C21 H35 Cl N2 O -","- C84 H140 Cl4 N8 O4 -","4","1","PA1122","Aubry, A.; Brembilla, A.; Faivre, V.; Lochon, P.","5-Dodecyl-2-(1-hydroxyethyl)benzimidazolium Chloride","Acta Crystallographica Section C","1995","51","5","893","894","10.1107/S0108270194011273","","","1.5418","CuKα","","","0.0463","","","0.0541","","","","","1.725","1.725","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003501","17.154","0.002","5.748","0.001","17.657","0.002","90","","111.96","0.01","90","","1614.7","0.4","291","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O2 S -","- C16 H22 N2 O2 S -","- C64 H88 N8 O8 S4 -","4","1","PA1134","Tinant, B.; Declercq, J.-P.; Abdellaoui, H.; Depreux, P.; Lesieur, D.","<i>N</i>,<i>N</i>-Dimethyl-2-[7-(methylaminosulfonylmethyl)-1-naphthyl]ethylamine, the Naphthalenic Bioisostere of Sumatriptan","Acta Crystallographica Section C","1995","51","5","916","918","10.1107/S0108270194011601","","","1.54184","CuKα","","","0.042","","","0.05","","","","","0.9","0.9","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003502","8.261","0.004","8.847","0.004","17.807","0.007","95.19","0.03","95.14","0.03","113.9","0.04","1173.5","1","292","","","","","","","","","","\'evaporation d'une solution dans l'\'ethanol","5","P -1","-P 1","2","","","","- C21 H40 Br N O -","- C21 H40 Br N O -","- C42 H80 Br2 N2 O2 -","2","1","PA1146","Rodier, N.; Dugué, J.; Céolin, R.; Baziard-Mouysset, G.; Stigliani, J.-L.; Payard, M.","Bromure de Benzododécinium Monohydraté","Acta Crystallographica Section C","1995","51","5","954","956","10.1107/S0108270194014435","","","0.71073","MoKα","","","0.068","","","0.056","","","","","1.67","1.67","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003503","10.207","0.008","26.978","0.012","8.744","0.006","90","","106.96","0.03","90","","2303","3","293","","293","","","","","","","","synth\`ese","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-(4-chlorophényl)-3a-méthyl- 5-phényl-3,3a,4,11-tétrahydro-3H-[1,2,4] triazolo [4,3-a] [1,5] benzodiazépine","","- C26 H23 Cl N4 O2 -","- C26 H23 Cl N4 O2 -","- C104 H92 Cl4 N16 O8 -","4","1","PA1148","Chiaroni, A.; Riche, C.; Baouid, A.; Benharref, A.; Hasnaoui, A.; Lavergne, J.-P.","Ethyl 3-(4-Chlorophényl)-3a-méthyl-5-phényl-3,3a,4,11-tétrahydro-3<i>H</i>-[1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazépine-1-carboxylate, C~26~H~23~ClN~4~O~2~","Acta Crystallographica Section C","1995","51","5","961","963","10.1107/S0108270194011418","","","1.5418","CuKα","","","0.06","","","0.059","","","","","1.99","1.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003504","20.709","0.003","7.777","0.0014","17.276","0.003","90","","143.279","0.005","90","","1663.6","0.5","293","2","293","2","","","","","","","Lab. of Medicinal Chemistry, Li\`ege","5","C 1 c 1","C -2yc","9","","3-methyl-4H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide","","- C7 H7 N3 O2 S -","- C7 H7 N3 O2 S -","- C56 H56 N24 O16 S8 -","8","2","PA1150","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3-Methyl-4<i>H</i>-pyrido[3,2-<i>e</i>][1,2,4]thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1995","51","5","944","946","10.1107/S0108270194013569","","","1.5418","CuKα","","0.0274","0.0268","","0.0693","0.0691","","","","1.108","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003505","7.491","0.001","12.188","0.002","15.744","0.003","90","","97.95","0.01","90","","1423.6","0.4","293","","","","","","","","","","Kristallisation (CH~3~OH)","3","P 1 21 1","P 2yb","4","","","","- C31 H44 O7 -","- C31 H44 O7 -","- C62 H88 O14 -","2","1","SE1056","Gzella, A.; Wrzeciono, U.; Zaprutko, L.","Triterpenoide. VII. Über die Struktur von neuen 2-oxa- und 1,2-seco-Derivaten des Olenanolsäuremethylesters","Acta Crystallographica Section C","1995","51","5","908","912","10.1107/S010827019400973X","","","1.54178","CuKα","","","0.044","","","0.05","","","","","5.2148","5.2148","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003506","7.709","0.001","18.293","0.002","21.082","0.003","90","","90","","90","","2973","0.7","293","","","","","","","","","","Kristallisation (CH~3~OH)","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 O7 -","- C32 H46 O7 -","- C128 H184 O28 -","4","1","SE1056","Gzella, A.; Wrzeciono, U.; Zaprutko, L.","Triterpenoide. VII. Über die Struktur von neuen 2-oxa- und 1,2-seco-Derivaten des Olenanolsäuremethylesters","Acta Crystallographica Section C","1995","51","5","908","912","10.1107/S010827019400973X","","","1.54178","CuKα","","","0.05","","","0.046","","","","","3.8027","3.8027","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003507","10.197","0.007","10.623","0.001","20.08","0.003","90","","101.53","0.02","90","","2131.2","1.5","293","2","","","","","","","","","Synthese, Kristallisation aus CH~3~OH","4","C 1 c 1","C -2yc","9","","","","- C19 H21 N9 O7 -","- C19 H21 N9 O7 -","- C76 H84 N36 O28 -","4","1","SH1092","Gzella, A.; Wrzeciono, U.","Azoles. 38. Struktur der Molekularverbindung von 3,5-Dinitroindazol, 5-Nitro-3-piperazinoindazol und Methanol","Acta Crystallographica Section C","1995","51","5","963","967","10.1107/S0108270194008954","","","1.54178","CuKα","","","0.0889","","","0.0947","","","","","1.8529","1.8529","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2003508","9.4","0.001","11.029","0.001","9.153","0.001","96.144","0.009","96.84","0.01","65.235","0.007","853.79","0.16","173","1","173","","","","","","","","see text","3","P 1","P 1","1","α,α-allo-trehalose trihydrate","α-D-allopyranosyl α-D-allopyranoside trihydrate","","- C12 H28 O14 -","- C12 H28 O14 -","- C24 H56 O28 -","2","2","SH1108","Linden, A.; Lee, C. K.","α,α-<i>allo</i>-Trehalose Trihydrate","Acta Crystallographica Section C","1995","51","5","1007","1012","10.1107/S0108270194012102","","","0.71069","MoKα","","0.0285","0.027","","0.0322","0.032","","","","","1.817","1.817","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003509","7.3812","0.0011","8.4422","0.0009","12.42","0.0014","73.243","0.009","81.924","0.011","83.473","0.011","731.53","0.16","293","2","293","2","","","","","","","from methanol","6","P -1","-P 1","2","","Methyl N-(N'-4-chlorophenylaminothiocarbonyl) imidate","","- C15 H13 Cl N2 O S -","- C15 H13 Cl N2 O S -","- C30 H26 Cl2 N4 O2 S2 -","2","1","TA1022","Hajjem, B.; Jouini, T.; Harizi, A.; Baccar, B.","Methyl <i>N</i>-(4-Chlorophenylaminothiocarbonyl)benzimidate","Acta Crystallographica Section C","1995","51","5","920","922","10.1107/S0108270194011625","","","0.71069","MoKα","","0.0491","0.0382","","0.0869","0.0855","","","","1.302","1.348","1.348","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003510","14.203","0.006","14.203","0.006","22.447","0.004","90","","90","","90","","4528","3","293","2","","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C12 H30 Cl2 Co2 N6 O14 -","- C12 H30 Cl2 Co2 N6 O20.5 -","- C96 H240 Cl16 Co16 N48 O164 -","8","0.5","AB1161","Chen, M.-Q.; Liu, J.; Mao, Z.-W.; Hang, Q.-W.; Tang, W.-X.","Bis(diethylenetriamine-<i>N</i>'-acetato)-di-μ-hydroxo-dicobalt(III) Perchlorate","Acta Crystallographica Section C","1995","51","6","1080","1082","10.1107/S0108270194013387","","","0.7093","MoKα","","","0.051","","","0.047","","","","","4.149","4.149","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003511","5.978","0.002","4.945","0.002","20.168","0.004","90","","95.8","0.03","90","","593.1","0.3","296","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H9 Br O S -","- C13 H9 Br O S -","- C26 H18 Br2 O2 S2 -","2","1","AB1178","He, Y.; Wu, Q.; Su, G.","3-(4-Bromophenyl)-1-(3-thienyl)-2-propen-1-one (BTC)","Acta Crystallographica Section C","1995","51","6","1167","1168","10.1107/S0108270194013843","","","0.71069","MoKα","","","0.046","","","0.052","","","","","1.39","1.39","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003512","10.731","0.006","18.016","0.006","8.347","0.005","90","","90","","90","","1613.7","1.4","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","AB1186","Urtiaga, M. K.; Arriortua, M. I.; Badía, D.; Domínguez, E.; González-Cameno, A. M.; Ochando, L.; Reventos, M.; Debaerdemaeker, T.","The Effect of Substituents on the Crystal Structure of β-Amino Alcohols. 2-[(3,4-Dimethoxybenzyl)(methyl)amino]-2-phenylethanol","Acta Crystallographica Section C","1995","51","6","1175","1177","10.1107/S0108270194013855","","","0.71073","MoKα","","","0.052","","","0.15","","","","","0.998","0.998","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003513","9.668","0.002","8.358","0.002","25.582","0.009","90","","98.26","0.03","90","","2045.7","1","289","","","","","","","","","","synthesis","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N8 Ni O2 -","- C21 H20 N8 Ni O2 -","- C84 H80 N32 Ni4 O8 -","4","1","AB1196","Jian, P.; Wang, S.; Suo, J.; Wang, L.; Wu, Q.","Azido[2,6-bis(2-benzimidazolyl-<i>N</i>^3^)pyridine-<i>N</i>](methanol)(methanolato)nickel(II)","Acta Crystallographica Section C","1995","51","6","1071","1073","10.1107/S0108270194011741","","","0.71073","MoKα","","","0.051","","","0.065","","","","","1.75","1.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003514","10.809","0.001","8.4044","0.0009","21.119","0.003","90","","96.63","0.01","90","","1905.7","0.4","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Cu N8 O8 -","- C15 H22 Cu N8 O8 -","- C60 H88 Cu4 N32 O32 -","4","1","AB1203","Kivekäs, R.; Klinga, M.; Colacio, E.; Dominguez-Vera, J. M.; Romerosa, A.","Aqua[1,3-propanediyldiiminobis(1,3-dimethyl-5-nitrosouracilato)-κ^4^<i>N</i>^5^,<i>N</i>^6^,<i>N</i>^15^,<i>N</i>^16^]copper(II) Monohydrate","Acta Crystallographica Section C","1995","51","6","1087","1089","10.1107/S0108270194013697","","","0.71073","MoKα","","","0.04","","","0.036","","","","","2.064","2.064","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003515","8.014","0.002","8.633","0.002","12.6","0.003","90","","90.53","0.03","90","","871.7","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","11,12-seco-12,13-didehydromultiflorine perchlorate hydrate","","- C15 H25 Cl N2 O6 -","- C15 H25.07 Cl N2 O6 -","- C30 H50.14 Cl2 N4 O12 -","2","1","AB1207","Dutkiewicz, G.; Kubicki, M.; Borowiak, T.; Wysocka, W.","11,12-Seco-12,13-didehydromultiflorine Perchlorate Hydrate","Acta Crystallographica Section C","1995","51","6","1182","1184","10.1107/S0108270194011650","","","1.54178","CuKα","","0.0577","0.036","","0.1741","0.1069","","","","1.076","1.118","1.118","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003516","6.116","0.002","16.656","0.004","6.007","0.003","99.29","0.03","100.94","0.03","99.05","0.02","581.7","0.4","243","","","","","","","","","","","5","P 1","P 1","1","","","","- C5 H18 N Na O9 -","- C5 H17.5 N Na O9 -","- C10 H35 N2 Na2 O18 -","2","2","AS1110","Kashiwagi, T.; Sano, C.; Kawakita, T.; Nagashima, N.","Monosodium <small>L</small>-Glutamate Pentahydrate","Acta Crystallographica Section C","1995","51","6","1053","1056","10.1107/S0108270194014472","","","1.5418","CuKα","","","0.056","","","0.076","","","","","3.06","3.06","","","","","has coordinates","190394","2020-10-21","18:00:00",""
"2003517","8.6917","0.0007","11.576","0.001","15.006","0.003","110.1","0.02","103.8","0.01","91.465","0.009","1367.3","0.4","298","3","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H36 N4 O2 -","- C14 H32 N4 O2 -","- C42 H96 N12 O6 -","3","1.5","AS1126","Tahirov, T. H.; Lu, T.-H.; Liu, G.-S.; Chi, T.-Y.; Chung, C.-S.","Two Isomers of 5,7,12,14-Tetramethyl-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","1995","51","6","1146","1148","10.1107/S0108270194011352","","","0.71073","MoKα","","","0.051","","","0.068","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003518","8.96","0.004","11.507","0.006","8.889","0.007","97.29","0.05","97.71","0.05","105.58","0.03","862","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Spiro[(4',4'-dimethyl-2',6'-dioxa-cyclohexane)- 1',3-(trans-4-methylene-bicyclo[3.3.0]octane)]-2,2-dimethylcarboxylate Spiro[(4',4'-dimethyl-2',6'-dioxa-cyclohexane)- 1',3-(cis-4-methylene-bicyclo[3.3.0]octane)]-2,2-dimethylcarboxylate","","- C18 H26 O6 -","- C18 H26 O6 -","- C36 H52 O12 -","2","1","AS1138","Yamada, T.; Uekusa, H.; Ohashi, Y.; Yamago, S.; Wang, X. Q.; Nakamura, E.","<i>cis</i>- and <i>trans</i>-Dimethyl Spiro[(4',4'-dimethyl-2',6'-dioxacyclohexane)-1',3-(4-methylenebicyclo[3.3.0]octane)]-2,2-dicarboxylate","Acta Crystallographica Section C","1995","51","6","1137","1139","10.1107/S010827019401276X","","","0.71073","MoKα","","0.147","0.061","","0.198","0.154","","","","1.015","1.109","1.109","","","","","has coordinates,has disorder","198601","2020-10-21","18:00:00",""
"2003519","9.4915","0.0011","11.5618","0.0014","8.9687","0.0009","98.806","0.009","99.065","0.009","112.364","0.009","874.02","0.19","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Spiro[(4',4'-dimethyl-2',6'-dioxa-cyclohexane)- 1',3-(cis-4-methylene-bicyclo[3.3.0]octane)]-2,2-dimethylcarboxylate","","- C18 H26 O6 -","- C18 H26 O6 -","- C36 H52 O12 -","2","1","AS1138","Yamada, T.; Uekusa, H.; Ohashi, Y.; Yamago, S.; Wang, X. Q.; Nakamura, E.","<i>cis</i>- and <i>trans</i>-Dimethyl Spiro[(4',4'-dimethyl-2',6'-dioxacyclohexane)-1',3-(4-methylenebicyclo[3.3.0]octane)]-2,2-dicarboxylate","Acta Crystallographica Section C","1995","51","6","1137","1139","10.1107/S010827019401276X","","","0.71073","MoKα","","0.123","0.054","","0.159","0.129","","","","1.01","1.129","1.129","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2003520","4.653","0.0004","15.191","0.001","26.902","0.002","90","","90","","90","","1901.5","0.2","293","2","293","2","","","","","","","synthesized from CH~2~Cl~2~--benzene system","4","P b c 21","P 2c -2b","29","","10-Hydroxybenzo[h]quinoline","","- C13 H9 N O -","- C13 H9 N O -","- C104 H72 N8 O8 -","8","2","AS1144","Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.","10-Hydroxybenzo[<i>h</i>]quinoline","Acta Crystallographica Section C","1995","51","6","1173","1175","10.1107/S010827019401379X","","","1.54178","CuKα","","0.0559","0.0383","","0.1128","0.0767","","","","1.213","1.26","1.26","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003521","15.037","0.003","9.913","0.001","12.547","0.002","90","","91.29","0.01","90","","1869.8","0.5","296","","296","","","","","","","","","4","C 1 c 1","C -2yc","9","","2-bromo-2,3-dihydro-2,3-(bibenzyl-2,2'-diyl)methano-1,4-naphthoquinone","","- C25 H17 Br O2 -","- C25 H17 Br O2 -","- C100 H68 Br4 O8 -","4","1","AS1150","Tamura, H.; Oshima, T.; Matsubayashi, G.; Nagai, T.","Two Conformational Isomers of 2-Bromo-2,3-dihydro-2,3-(bibenzyl-2,2'-diyl)methano-1,4-naphthoquinone","Acta Crystallographica Section C","1995","51","6","1148","1152","10.1107/S0108270194013806","","","0.7107","MoKα","","","0.035","","","0.035","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003522","9.165","0.001","13.155","0.001","8.85","0.001","101.58","0.01","116.59","0.01","80.77","0.01","931.69","0.18","296","","296","","","","","","","","","4","P -1","-P 1","2","","2-bromo-2,3-dihydro-2,3-(bibenzyl)methano-1,4-naphthoquinone","","- C25 H17 Br O2 -","- C25 H17 Br O2 -","- C50 H34 Br2 O4 -","2","1","AS1150","Tamura, H.; Oshima, T.; Matsubayashi, G.; Nagai, T.","Two Conformational Isomers of 2-Bromo-2,3-dihydro-2,3-(bibenzyl-2,2'-diyl)methano-1,4-naphthoquinone","Acta Crystallographica Section C","1995","51","6","1148","1152","10.1107/S0108270194013806","","","0.7107","MoKα","","","0.037","","","0.04","","","","","1.48","1.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003523","11.9111","0.001","16.036","0.002","13.1202","0.0009","90","","93.761","0.006","90","","2500.6","0.4","296","","","","","","","","","","Recrystallization fron ethyl acetate-heptane","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 O6 P2 -","- C25 H32 O6 P2 -","- C100 H128 O24 P8 -","4","1","BK1023","Elnagar, H. Y.; Layman, W. J.; Fronczek, F. R.","[4,4',6,6'-Tetramethyl-(2,2'-isobutylidenedi-<i>o</i>-phenylene)] (2,6,7-Trioxa-1-phosphabicyclo[2.2.2]oct-4-ylmethyl) Phosphite, C~25~H~32~P~2~O~6~","Acta Crystallographica Section C","1995","51","6","1177","1179","10.1107/S0108270194011169","","","1.54184","CuKα","","","0.046","","","0.056","","","","","2.762","2.762","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003524","6.418","0.001","15.864","0.003","12.269","0.002","90","","102.38","0.01","90","","1220.1","0.4","296","","","","","","","","","","Prepared by authors","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Cl N O3 -","- C10 H20 Cl N O3 -","- C40 H80 Cl4 N4 O12 -","4","1","BK1049","Brouillette, W. J.; Gray, G. M.; Saeed, A.","Conformationally Defined Cyclohexyl Carnitine Analogs","Acta Crystallographica Section C","1995","51","6","1160","1164","10.1107/S0108270194010322","","","1.5418","CuKα","","","0.0507","","","0.0712","","","","","2.172","2.172","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003525","12.39","0.001","8.245","0.002","13.732","0.001","90","","121.543","0.009","90","","1195.5","0.3","295","","","","","","","","","","Prepared by authors","5","C 1 c 1","C -2yc","9","","","","- C10 H20 Cl N O3 -","- C10 H20 Cl N O3 -","- C40 H80 Cl4 N4 O12 -","4","1","BK1049","Brouillette, W. J.; Gray, G. M.; Saeed, A.","Conformationally Defined Cyclohexyl Carnitine Analogs","Acta Crystallographica Section C","1995","51","6","1160","1164","10.1107/S0108270194010322","","","1.5418","CuKα","","","0.025","","","0.0332","","","","","1.415","1.415","","","","","has coordinates","208381","2020-10-21","18:00:00",""
"2003526","7.123","0.002","11.237","0.002","14.989","0.001","90","","90","","90","","1199.7","0.4","296","","","","","","","","","","Prepared by authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cl N O3 -","- C10 H20 Cl N O3 -","- C40 H80 Cl4 N4 O12 -","4","1","BK1049","Brouillette, W. J.; Gray, G. M.; Saeed, A.","Conformationally Defined Cyclohexyl Carnitine Analogs","Acta Crystallographica Section C","1995","51","6","1160","1164","10.1107/S0108270194010322","","","1.5418","CuKα","","","0.03","","","0.041","","","","","1.92","1.92","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2003527","6.137","0.001","19.405","0.002","7.187","0.001","90","","104.72","0.01","90","","827.8","0.2","296","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H6 N2 O2 S -","- C8 H6 N2 O2 S -","- C32 H24 N8 O8 S4 -","4","1","BK1050","Gallucci, J. C.; Mathur, N.; Shechter, H.","(<i>Z</i>)-5-(2-Thienylmethylene)-2,4-imidazolidinedione","Acta Crystallographica Section C","1995","51","6","1221","1223","10.1107/S0108270194014137","","","0.71069","MoKα","","","0.041","","","0.046","","","","","1.65","1.65","","","","","has coordinates,has disorder","200210","2020-10-21","18:00:00",""
"2003528","13.256","0.002","8.644","0.003","13.484","0.002","90","","103.23","0.01","90","","1504.1","0.6","295","1","295","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 O6 Ru2 -","- C13 H8 O6 Ru2 -","- C52 H32 O24 Ru8 -","4","1","BK1081","Capparelli, M. V.; De Sanctis, Y.; Arce, A. J.","Hexacarbonyl-1κ^4^<i>C</i>,2κ^2^<i>C</i>-[μ-1κ<i>C</i>^6^:2(η^5^)-6-methylfulvene]diruthenium(<i>Ru</i>—<i>Ru</i>), [Ru~2~(C~5~H~4~CHCH~3~)(CO)~6~]","Acta Crystallographica Section C","1995","51","6","1118","1120","10.1107/S0108270194012928","","","0.7107","MoKα","","","0.0368","","","0.0367","","","","","1.962","1.962","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003529","7.146","0.001","8.635","0.003","25.5","0.004","90","","90","","90","","1573.5","0.6","293","2","293","2","","","","","","","crystallized from ethyl alcohol","3","P 21 21 21","P 2ac 2ab","19","","2-cyano-2-methylsparteine","","- C17 H27 N3 -","- C17 H27 N3 -","- C68 H108 N12 -","4","1","BK1085","Wolska, I.; Borowiak, T.","2-Cyano-2-methylsparteine","Acta Crystallographica Section C","1995","51","6","1158","1160","10.1107/S0108270194013740","","","0.71073","MoKα","","0.0739","0.0311","","0.1161","0.0913","","","","1.088","1.197","1.197","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003530","10.9538","0.0006","11.1908","0.0008","10.77","0.005","90","","111.21","0.16","90","","1230.8","1.5","295","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 Pt2 -","- C12 H20 Pt2 -","- C48 H80 Pt8 -","4","0.5","BK1101","Doyle, J. R.; Baenziger, N. C.","μ-(1,2,5,6-η:3,4,7,8-η)-1,3,5,7-Cyclooctatetraene-bis[dimethylplatinum(II)]","Acta Crystallographica Section C","1995","51","6","1116","1118","10.1107/S0108270194014149","","","0.71073","MoKα(intensities),CuKα~1~andCuKα~2~","","","0.047","","","0.073","","","","","1.24","1.24","","","","","has coordinates","198855","2020-10-21","18:00:00",""
"2003531","7.288","0.001","7.514","0.001","15.441","0.001","90.08","0.01","95.9","0.01","90.45","0.01","841.07","0.17","292","","292","","","","","","","","","4","P -1","-P 1","2","","Barium perrhenate hydrate","","- Ba H2 O9 Re2 -","- Ba H2 O9 Re2 -","- Ba4 H8 O36 Re8 -","4","2","BR1085","Todorov, T.; Macícek, J.","Barium Perrhenate Monohydrate","Acta Crystallographica Section C","1995","51","6","1034","1038","10.1107/S0108270194013909","","","0.71073","MoKα","","0.068","0.053","","0.062","0.062","","","","2.65","2.678","2.678","","","","","has coordinates","190396","2020-10-21","18:00:00",""
"2003532","8.374","0.002","9.935","0.002","11.139","0.002","87.84","0.02","88.13","0.02","80.61","0.02","913.3","0.3","290","2","","","","","","","","","synthesized, recrystallized from EtOAc","5","P -1","-P 1","2","","","","- C20 H23 Br N2 O2 -","- C20 H23 Br N2 O2 -","- C40 H46 Br2 N4 O4 -","2","1","CR1107","Baughman, R. G.; Chang, S.-C.; Utecht, R. E.; Lewis, D. E.","Two Related Potent Antiviral Compounds: 3-Bromo-<i>N</i>-butyl-4-butylamino-1,8-naphthalenedicarboximide (1) and 4-Amino-3-bromo-<i>N</i>-butyl-1,8-naphthalenedicarboximide (2)","Acta Crystallographica Section C","1995","51","6","1189","1193","10.1107/S0108270194011005","","","0.71073","MoKα","","","0.0379","","","0.0912","","","","","1.05","1.05","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003533","4.514","0.002","24.87","0.01","13.054","0.004","90","","97.41","0.03","90","","1453.2","1","288","","","","","","","","","","synthesized per article, recrystallized from mesi","5","C 1 c 1","C -2yc","9","","","","- C16 H15 Br N2 O2 -","- C16 H15 Br N2 O2 -","- C64 H60 Br4 N8 O8 -","4","1","CR1107","Baughman, R. G.; Chang, S.-C.; Utecht, R. E.; Lewis, D. E.","Two Related Potent Antiviral Compounds: 3-Bromo-<i>N</i>-butyl-4-butylamino-1,8-naphthalenedicarboximide (1) and 4-Amino-3-bromo-<i>N</i>-butyl-1,8-naphthalenedicarboximide (2)","Acta Crystallographica Section C","1995","51","6","1189","1193","10.1107/S0108270194011005","","","0.71073","MoKα","","","0.048","","","0.0951","","","","","0.972","0.972","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003534","14.445","0.003","5.767","0.001","28.603","0.005","90","","90.27","0.02","90","","2382.7","0.8","213.9","","213.9","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Nitrophenyl Phenoxyformate","","- C13 H9 N O5 -","- C13 H9 N O5 -","- C104 H72 N8 O40 -","8","2","CR1151","Bryant, Jnr, G. L.; King, Jnr, J. A.","2-Nitrophenyl Phenoxyformate, C~13~H~9~NO~5~","Acta Crystallographica Section C","1995","51","6","1141","1143","10.1107/S0108270194010449","","","1.54178","CopperKα","","0.0902","0.066","","0.1007","0.087","","","","","0.91","0.91","","","","","has coordinates","198396","2020-10-21","18:00:00",""
"2003535","11.796","0.008","7.629","0.004","15.719","0.005","90","","92.65","0.04","90","","1413.1","1.3","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Cr O4 -","- C16 H10 Cr O4 -","- C64 H40 Cr4 O16 -","4","1","CR1157","Blake, J. L.; Cook, D. J.; Squattrito, P. J.; Howell, B. A.","(Benzobicyclooctatriene)tetracarbonylchromium","Acta Crystallographica Section C","1995","51","6","1067","1069","10.1107/S0108270194013417","","","0.71073","MoKα","","","0.043","","","0.039","","","","","1.71","1.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003536","9.193","0.009","4.89","0.004","7.162","0.007","90","","90","","90","","322","0.5","233","2","233","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O5 P2 -","- O5 P2 -","- O20 P8 -","4","0.5","DU1085","Stachel, D.; Svoboda, I.; Fuess, H.","Phosphorus Pentoxide at 233 K","Acta Crystallographica Section C","1995","51","6","1049","1050","10.1107/S0108270194012126","","","0.71069","MoKα","","0.085","0.039","","0.0946","0.0831","","","","1.04","1.117","1.117","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003537","14.01","0.001","7.104","0.001","34.086","0.002","90","","90","","90","","3392.5","0.6","295","","295","","","","","","","","synthesis (Yoneda, 1976)","4","P n a 21","P 2c -2n","33","lumiflavine","Lumiflavinium (7,8,10-trimethylbenzo[g] pteridine-2,4(1H,3H)-dione) nitrate.","","- C13 H14 N6 O8 -","- C13 H13 N6 O8 -","- C104 H104 N48 O64 -","8","2","DU1097","Wouters, J.; Evrard, G.; Durant, F.","Lumiflavinium (7,8,10-Trimethylisoalloxazinium) Nitrate","Acta Crystallographica Section C","1995","51","6","1223","1227","10.1107/S0108270194014265","","","1.5406","CuKα","","0.079","0.054","","0.063","0.052","","","","","2.05","2.05","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2003538","22.9337","0.0005","5.8035","0.0006","13.7842","0.0006","90","","106.816","0.004","90","","1756.2","0.2","293","2","293","2","","","","","","","synth\`ese","5","C 1 2/c 1","-C 2yc","15","","Bis(paraphénolammonium) Diphosphate Monohydrate","","- C12 H20 N2 O10 P2 -","- C12 H22 N2 O11 P2 -","- C48 H88 N8 O44 P8 -","4","0.5","DU1100","Soumhi, E. H.; Jouini, T.","Bis(<i>para</i>-phénolammonium) Diphosphate Monohydrate","Acta Crystallographica Section C","1995","51","6","1213","1215","10.1107/S0108270194011546","","","0.71069","MoKα","","0.0545","0.0379","","0.0984","0.0926","","","","1.219","1.29","1.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003539","9.375","0.001","8.019","0.001","11.135","0.002","90","","100.73","0.01","90","","822.5","0.2","299","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Ni O11 P4 -","- Ni O11 P4 -","- Ni4 O44 P16 -","4","1","DU1102","Olbertz, A.; Stachel, D.; Svoboda, I.; Fuess, H.","Nickel Ultraphosphate, NiP~4~O~11~","Acta Crystallographica Section C","1995","51","6","1047","1049","10.1107/S0108270194012680","","","0.71069","MoKα","","0.064","0.0265","","0.0683","0.0614","","","","1.026","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003540","13.5737","0.0004","13.5737","0.0004","6.6624","0.0003","90","","90","","120","","1063.06","0.07","293","","","","","","","","","","see text","4","P -3","-P 3","147","","","","- Ce K2 N6 O18 -","- Ce K2 N6 O18 -","- Ce3 K6 N18 O54 -","3","0.5","DU1103","Guillou, N.; Louër, M.; Auffrédic, J. P.; Louër, D.","Two Polymorphic Forms of Ceric Potassium Nitrate, K~2~Ce(NO~3~)~6~","Acta Crystallographica Section C","1995","51","6","1029","1032","10.1107/S0108270194014927","","","0.71073","MoKα","","","0.045","","","0.051","","","","","1.7","1.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003541","12.707","0.004","6.6858","0.0006","8.2535","0.0007","90","","91.547","0.008","90","","700.9","0.2","293","","","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- Ce K2 N6 O18 -","- Ce K2 N6 O18 -","- Ce2 K4 N12 O36 -","2","0.5","DU1103","Guillou, N.; Louër, M.; Auffrédic, J. P.; Louër, D.","Two Polymorphic Forms of Ceric Potassium Nitrate, K~2~Ce(NO~3~)~6~","Acta Crystallographica Section C","1995","51","6","1029","1032","10.1107/S0108270194014927","","","0.71073","MoKα","","","0.042","","","0.061","","","","","2.2","2.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003542","13.5975","0.0008","13.5975","0.0008","13.5975","0.0008","90","","90","","90","","2514.1","0.3","293","","","","","","","","","","see text","4","P 41 3 2","P 4bd 2ab 3","213","","","","- Ce2 K3 N9 O27 -","- Ce2 K3 N9 O27 -","- Ce8 K12 N36 O108 -","4","0.166667","DU1104","Guillou, N.; Auffrédic, J. P.; Louër, D.","Cerous Potassium Nitrate, K~3~Ce~2~(NO~3~)~9~","Acta Crystallographica Section C","1995","51","6","1032","1034","10.1107/S0108270194014939","","","0.71073","MoKα","","","0.044","","","0.055","","","","","1.25","1.25","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003543","10.232","0.003","14.964","0.007","6.826","0.004","93.81","0.04","98.02","0.03","104.37","0.03","997","0.8","295","1","","","","","","","","","natural product crystallized from water","4","P 1","P 1","1","","","","- C18 H29 N O7 -","- C18 H29 N O7 -","- C36 H58 N2 O14 -","2","2","FG1006","Parvez, M.; Benn, M. H.","Senecivernine Dihydrate","Acta Crystallographica Section C","1995","51","6","1202","1204","10.1107/S0108270194012904","","","0.71069","MoKα","","","0.0802","","","0.0804","","","","","3.43","3.43","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003544","14.739","0.004","9.029","0.001","14.269","0.004","90","","115.95","0.01","90","","1707.4","0.7","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Br2 Cu N8 -","- C12 H16 Br2 Cu N8 -","- C48 H64 Br8 Cu4 N32 -","4","0.5","FG1007","Parker, O. J.; Breneman, G. L.","Tetrakis(imidazole)copper(II) Dibromide, [Cu(Him)~4~]Br~2~","Acta Crystallographica Section C","1995","51","6","1097","1099","10.1107/S010827019401139X","","","0.71073","MoKα","","","0.038","","","0.05","","","","","2.09","2.09","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2003545","10.9822","0.0022","8.0799","0.0016","15.449","0.003","90","","113.28","0.12","90","","1259.3","1.2","203","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O3 -","- C26 H22 N4 O3 -","- C104 H88 N16 O12 -","4","1","FG1010","Chebli, C.; Brisse, F.","4,4'-Azoxydianisole at 203 K","Acta Crystallographica Section C","1995","51","6","1164","1167","10.1107/S0108270194012023","","","1.54056","CuKα","","","0.052","","","0.059","","","","","2.68","2.68","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003546","10.434","0.002","13.699","0.002","25.148","0.004","90","","90","","90","","3594.5","1","293","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 B F3 Mo N7 O3 S -","- C32 H39 B F3 Mo N7 O3 S -","- C128 H156 B4 F12 Mo4 N28 O12 S4 -","4","1","FG1016","Vaughan, W. M.; Bonella, J. M.; Abboud, K. A.","A Chelate-Stabilized Molybdenum‒Imido‒Alkylidene Complex, [TpMo{CHC(Me)~2~Ph}(NAr)(OTf)]","Acta Crystallographica Section C","1995","51","6","1075","1078","10.1107/S010827019401231X","","","0.71073","MoKα","","","0.053","","","0.0546","","","","","1.48","1.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003547","6.815","0.001","17.967","0.002","6.223","0.001","98.52","0.01","98.69","0.01","84.52","0.01","742.83","0.18","295","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 Cl2 Pd S2 -","- C12 H20 Cl2 Pd S2 -","- C24 H40 Cl4 Pd2 S4 -","2","1","FG1033","Parvez, M.; Primak, A.; Clark, P. D.","<i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)palladium(II) and <i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)platinum(II)","Acta Crystallographica Section C","1995","51","6","1099","1102","10.1107/S0108270194014861","","","0.71073","MoKα","","","0.044","","","0.059","","","","","2.81","2.81","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003548","7.934","0.003","11.759","0.003","8.256","0.002","90","","94.94","0.01","90","","767.4","0.4","295","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl2 Pt S2 -","- C12 H20 Cl2 Pt S2 -","- C24 H40 Cl4 Pt2 S4 -","2","0.5","FG1033","Parvez, M.; Primak, A.; Clark, P. D.","<i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)palladium(II) and <i>trans</i>-Dichlorobis(7-thiabicyclo[2.2.1]heptane)platinum(II)","Acta Crystallographica Section C","1995","51","6","1099","1102","10.1107/S0108270194014861","","","0.71073","MoKα","","","0.035","","","0.05","","","","","3.63","3.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003549","7.569","0.001","9.738","0.002","9.503","0.001","90","","96.32","0.01","90","","696.18","0.19","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","[3S,4S,5R-(1β,3β,6α,7α,12aβ)]-hexahydro-1-hydroxy-6,6- dimethyl-3,13a:4,8-diepoxy-3H,6H-dioxolano[4,5-f] pyrimido[6,1-c][1,4]oxazonine-10,12(11H,13H)dione","","- C13 H16 N2 O8 -","- C13 H16 N2 O8 -","- C26 H32 N4 O16 -","2","1","FG1041","Groziak, M. P.; Lin, R.; Robinson, P. D.","An Unusual C6-Spiro-Fused Cyclouridine Derivative","Acta Crystallographica Section C","1995","51","6","1204","1207","10.1107/S0108270194012631","","","0.71069","MoKα","","","0.035","","","0.043","","","","","1.96","1.96","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003550","16.652","0.003","12.754","0.003","3.841","0.002","90","","94.39","0.02","90","","813.4","0.5","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N2 O3 -","- C8 H8 N2 O3 -","- C32 H32 N8 O12 -","4","1","HA1105","Adatia, T.; Barjesteh, H.; Charalambous, J.; Choi, N.; McPartlin, M.","3-Acetylamino-1,4-benzoquinone 4-Oxime","Acta Crystallographica Section C","1995","51","6","1187","1189","10.1107/S0108270194012837","","","0.71069","MoKα","","","0.056","","","0.0545","","","","","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003551","6.003","0.005","8.301","0.006","11.432","0.01","90","","94.39","0.05","90","","568","0.8","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N3 O2 -","- C4 H7 N3 O2 -","- C16 H28 N12 O8 -","4","1","HA1112","Kettmann, V.; Svetlík, J.; Schantl, J. G.","4,5-Dihydro-5,5-dimethyl-3<i>H</i>-1,2,4-triazol-3-one 1-Oxide","Acta Crystallographica Section C","1995","51","6","1133","1135","10.1107/S0108270194011947","","","0.71069","MoKα","","","0.062","","","0.074","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003552","10.888","0.002","9.329","0.001","12.628","0.001","90","","95.03","0.01","90","","1277.7","0.3","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Cl N2 O2 -","- C15 H9 Cl N2 O2 -","- C60 H36 Cl4 N8 O8 -","4","1","HA1116","Kendi, E.; Özbey, S.; Ide, S.; Fun, H.-K.; Yip, B.-C.","The Phenylhydrazone Form of 2-(4-Chlorophenylazo)-1,3-indandione","Acta Crystallographica Section C","1995","51","6","1144","1146","10.1107/S0108270194012047","","","0.7107","MoKα","","","0.0476","","","0.0567","","","","","2.22","2.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003553","12.569","0.004","5.1148","0.0007","21.74","0.01","90","","104.04","0.04","90","","1355.9","0.8","102","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H27 P -","- C12 H27 P -","- C48 H108 P4 -","4","1","HR1046","Bruckmann, J.; Krüger, C.","Tris(<i>n</i>-butyl)phosphine, Tris(<i>tert</i>-butyl)phosphine and Tris(trimethylsilyl)phosphine","Acta Crystallographica Section C","1995","51","6","1152","1155","10.1107/S0108270194014356","","","0.71073","MoKα","","","0.041","","","0.049","","","","","2","2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003554","9.219","0.001","13.768","0.005","11.133","0.002","90","","111.36","0.01","90","","1316","0.6","102","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H27 P -","- C12 H27 P -","- C48 H108 P4 -","4","1","HR1046","Bruckmann, J.; Krüger, C.","Tris(<i>n</i>-butyl)phosphine, Tris(<i>tert</i>-butyl)phosphine and Tris(trimethylsilyl)phosphine","Acta Crystallographica Section C","1995","51","6","1152","1155","10.1107/S0108270194014356","","","0.71073","MoKα","","","0.04","","","0.045","","","","","1.8","1.8","","","","","has coordinates","278038","2022-09-21","10:28:06",""
"2003555","9.859","0.002","15.01","0.006","11.947","0.005","90","","113.91","0.02","90","","1616.2","1","102","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H27 P Si3 -","- C9 H27 P Si3 -","- C36 H108 P4 Si12 -","4","1","HR1046","Bruckmann, J.; Krüger, C.","Tris(<i>n</i>-butyl)phosphine, Tris(<i>tert</i>-butyl)phosphine and Tris(trimethylsilyl)phosphine","Acta Crystallographica Section C","1995","51","6","1152","1155","10.1107/S0108270194014356","","","0.71073","MoKα","","","0.034","","","0.046","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003556","21.472","0.005","9.117","0.001","5.186","0.001","90","","90","","90","","1015.2","0.3","102","","","","","","","","","","see text","3","P n m a","-P 2ac 2n","62","","","","- C3 H9 P -","- C3 H18 P2 -","- C24 H144 P16 -","8","1","HR1047","Bruckmann, J.; Krüger, C.","Trimethylphosphine and Triethylphosphine in the Solid State","Acta Crystallographica Section C","1995","51","6","1155","1158","10.1107/S0108270194014368","","","0.71069","MoKα","","","0.037","","","0.049","","","","","1.9","1.9","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003557","9.495","0.004","7.421","0.001","11.151","0.003","90","","90.71","0.02","90","","785.7","0.4","102","","","","","","","","","","see text","3","P 1 21/a 1","-P 2yab","14","","","","- C6 H15 P -","- C6 H15 P -","- C24 H60 P4 -","4","1","HR1047","Bruckmann, J.; Krüger, C.","Trimethylphosphine and Triethylphosphine in the Solid State","Acta Crystallographica Section C","1995","51","6","1155","1158","10.1107/S0108270194014368","","","0.71069","MoKα","","","0.059","","","0.068","","","","","4.7","4.7","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003558","11.152","0.003","14.767","0.004","12.816","0.003","90","","102.56","0.002","90","","2060.1","0.9","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 N8 O12 Zn2 -","- C36 H44 N8 O12 Zn2 -","- C72 H88 N16 O24 Zn4 -","2","0.5","HR1048","Skorsepa, J.; Györyovà, K.; Melník, M.; Smolander, K.; Ahlgrén, M.","Dimeric Bis(μ-propionato-<i>O</i>:<i>O</i>')bis[bis(nicotinamide-<i>N</i>)(propionato-<i>O</i>)zinc(II)]","Acta Crystallographica Section C","1995","51","6","1069","1071","10.1107/S0108270194014186","","","0.71073","MoKα","","","0.0499","","","0.0651","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003559","9.477","0.001","7.463","0.001","26.727","0.003","90","","90","","90","","1890.3","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 K O5 -","- C8 H6 K O5 -","- C64 H48 K8 O40 -","8","1","HU1120","Kariuki, B. M.; Jones, W.","Potassium Hydrogen Phthalate Hemiperhydrate","Acta Crystallographica Section C","1995","51","6","1128","1130","10.1107/S0108270194012497","","","0.71069","MoKα","","0.1379","0.0449","","0.106","0.0859","","","","0.93","1.262","1.262","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003560","14.506","0.004","3.7329","0.001","19.245","0.003","90","","91.45","0.02","90","","1041.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Sodium o-chloro-trans-cinnamate dihydrate","","","- C9 H10 Cl Na O4 -","- C9 H10 Cl Na O4 -","- C36 H40 Cl4 Na4 O16 -","4","1","HU1125","Kariuki, B. M.; Valim, J. B.; Jones, W.; King, J.","Sodium 3-(2-Chlorophenyl)propenoate Dihydrate and Tetraaquamagnesium Bis[3-(2-hydroxyphenyl)propenoate]","Acta Crystallographica Section C","1995","51","6","1051","1053","10.1107/S0108270194012503","","","0.71069","MoKα","","0.0461","0.034","","0.1037","0.0943","","","","1.067","1.156","1.156","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003561","6.025","0.003","5.385","0.003","29.991","0.014","90","","94.46","0.04","90","","970.1","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Tetra-aqua-magnesium bis(o-hydroxy-trans-cinnamate)","","","- C18 H22 Mg O10 -","- C18 H22 Mg O10 -","- C36 H44 Mg2 O20 -","2","0.5","HU1125","Kariuki, B. M.; Valim, J. B.; Jones, W.; King, J.","Sodium 3-(2-Chlorophenyl)propenoate Dihydrate and Tetraaquamagnesium Bis[3-(2-hydroxyphenyl)propenoate]","Acta Crystallographica Section C","1995","51","6","1051","1053","10.1107/S0108270194012503","","","0.71069","MoKα","","0.0524","0.0425","","0.1171","0.1138","","","","1.107","1.177","1.177","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2003562","12.513","0.002","17.356","0.003","10.172","0.002","90","","102.66","0.003","90","","2155.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Cl3 O3 -","- C25 H17 Cl3 O3 -","- C100 H68 Cl12 O12 -","4","1","HU1130","Anulewicz, R.; Świrska, B.; Milart, P.","Pyrylium Salts. VII. 2,4,6-Triphenylpyrylium Trichloroacetate","Acta Crystallographica Section C","1995","51","6","1180","1182","10.1107/S0108270194012515","","","1.54178","CuKα","","0.0712","0.0681","","0.1844","0.177","","","","1.046","1.053","1.053","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003563","7.029","0.002","11.598","0.003","13.172","0.02","103.85","0.02","89.14","0.02","95.87","","1037.1","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Berberine Chloride tetrahydrate","","","- C20 H26 Cl N O8 -","- C20 H26 Cl N O8 -","- C40 H52 Cl2 N2 O16 -","2","1","HU1131","Kariuki, B. M.; Jones, W.","Five Salts of Berberine","Acta Crystallographica Section C","1995","51","6","1234","1240","10.1107/S010827019401259X","","","0.71069","MoKα","","0.1273","0.0701","","0.2214","0.1947","","","","0.98","1.238","1.238","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003564","7.3712","0.001","11.2724","0.001","13.3998","0.001","77.587","0.007","73.299","0.007","78.228","0.008","1029.4","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Berberine chloride ethanol solvate hemihydrate","","","- C22 H25 Cl N O5.5 -","- C22 H25 Cl N O5.5 -","- C44 H50 Cl2 N2 O11 -","2","1","HU1131","Kariuki, B. M.; Jones, W.","Five Salts of Berberine","Acta Crystallographica Section C","1995","51","6","1234","1240","10.1107/S010827019401259X","","","0.71069","MoKα","","0.126","0.0562","","0.1879","0.1534","","","","0.99","1.302","1.302","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2003565","21.974","0.003","7.2","0.007","26.151","0.003","90","","110.18","0.01","90","","3883","4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Berberine bromide dihydrate","","","- C20 H22 Br N O6 -","- C20 H22 Br N O6 -","- C160 H176 Br8 N8 O48 -","8","1","HU1131","Kariuki, B. M.; Jones, W.","Five Salts of Berberine","Acta Crystallographica Section C","1995","51","6","1234","1240","10.1107/S010827019401259X","","","0.71069","MoKα","","0.1631","0.0471","","0.0971","0.0839","","","","0.831","1.189","1.189","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003566","7.0814","0.001","15.917","0.002","16.154","0.002","90","","99.126","0.01","90","","1797.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Berberine Iodide","","","- C20 H18 I N O4 -","- C20 H18 I N O4 -","- C80 H72 I4 N4 O16 -","4","1","HU1131","Kariuki, B. M.; Jones, W.","Five Salts of Berberine","Acta Crystallographica Section C","1995","51","6","1234","1240","10.1107/S010827019401259X","","","0.71069","MoKα","","0.2655","0.0666","","0.1288","0.1","","","","0.75","1.277","1.277","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003567","23.198","0.03","6.918","0.01","24.963","0.03","90","","96.65","0.09","90","","3979","9","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Bis(berberine) sulphate heptadydrate","","","- C40 H50 N2 O19 S -","- C40 H50 N2 O19 S -","- C160 H200 N8 O76 S4 -","4","1","HU1131","Kariuki, B. M.; Jones, W.","Five Salts of Berberine","Acta Crystallographica Section C","1995","51","6","1234","1240","10.1107/S010827019401259X","","","0.71069","MoKα","","0.2867","0.0764","","0.2046","0.1649","","","","0.732","1.321","1.321","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2003568","6.11","0.001","8.205","0.001","5.868","0.001","90","","90","","90","","294.18","0.08","294","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","Mercury Selenite","Mercury(II) Selenate(IV)","","- Hg O3 Se -","- Hg O3 Se -","- Hg4 O12 Se4 -","4","0.5","HU1145","Koskenlinna, M.; Valkonen, J.","Mercury(II) Selenite","Acta Crystallographica Section C","1995","51","6","1040","1042","10.1107/S0108270194014770","","","0.71073","MoKα","","","0.026","","","0.032","","","","","0.363","0.363","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003569","15.919","0.005","10.307","0.009","16.23","0.02","90","","104.93","0.04","90","","2573","4","120","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H80 P12 Th -","- C32 H80 P12 Th -","- C64 H160 P24 Th2 -","2","1","JZ1000","Coles, S. J.; Edwards, P. G.; Hursthouse, M. B.; Read, P. W.","Dimorphism in Actinide Phosphides: Tetrakis[bis(2-dimethylphosphinoethyl)phosphido]thorium(IV)","Acta Crystallographica Section C","1995","51","6","1060","1063","10.1107/S0108270194011790","","","0.71069","MoKα","","","0.0447","","","0.1026","","","","","0.515","0.515","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003570","28.058","0.006","17.315","0.002","14.962","0.001","90","","101.36","0.01","90","","7126.5","1.8","293","","","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Ag4.46 Cu0.54 N P2 -","- C84 H60 Ag5 Cu3 N P2 -","- C336 H240 Ag20 Cu12 N4 P8 -","4","0.5","JZ1005","Al-Farhan, K. A.; Abu-Salah, O. M.; Mukhalalati, M.; Jaafar, M.","Copper Disordered Hexakis(phenylethynyl)pentaargentate(I) Cluster","Acta Crystallographica Section C","1995","51","6","1089","1092","10.1107/S0108270194014162","","","0.71073","MoKα","","","0.032","","","0.082","","","","","1.021","1.021","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003571","5.094","0.002","5.273","0.002","7.572","0.003","102.52","0.02","104.45","0.02","102.07","0.02","184.67","0.13","295","2","","","","","","","","","","5","P -1","-P 1","2","","","","- As2 Cu Fe2 H2 O10 -","- As2 Cu Fe2 H2 O10 -","- As2 Cu Fe2 H2 O10 -","1","0.5","JZ1007","Effenberger, H.","Polytypism of CuFe~2~(OH)~2~(AsO~4~)~2~: the Triclinic Modification","Acta Crystallographica Section C","1995","51","6","1042","1045","10.1107/S0108270194014617","","","0.710688","MoKα","","","0.02","","","0.019","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003572","9.594","0.005","12.43","0.005","16.893","0.009","109.71","0.02","99.13","0.03","105.9","0.03","1752.4","1.6","213","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H37 Cl2 O2 P2 Re -","- C39 H37 Cl2 O2 P2 Re -","- C78 H74 Cl4 O4 P4 Re2 -","2","1","JZ1019","Abram, S.; Abram, U.; Schulz-Lang, E.; Strähle, J.","<i>trans</i>-Dichlorooxo(2-propoxido)bis(triphenylphosphine)rhenium(V)","Acta Crystallographica Section C","1995","51","6","1078","1080","10.1107/S0108270194013314","","","0.71073","MoKα","","","0.0207","","","0.0509","","","","","1.108","1.108","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003573","19.907","0.005","19.907","0.005","6.43","0.005","90","","90","","90","","2548","2","293","2","293","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","Bis(phthalocyaninato)erbium","Bis[29H,31H-phthalocyaninato-N^29^,N^30^,N^31^,N^32^]erbium","","- C64 H32 Er N16 -","- C64 H32 Er N16 -","- C128 H64 Er2 N32 -","2","0.125","JZ1021","Ostendorp, G.; Werner, J.-P.; Homborg, H.","Bis(phthalocyaninato)erbium (α1 Phase)","Acta Crystallographica Section C","1995","51","6","1125","1128","10.1107/S0108270195000126","","","0.71069","MoKα","","0.0632","0.0478","","0.2013","0.1831","","","","1.274","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003574","7.223","0.003","13.913","0.0015","14.931","0.0015","100.655","0.009","101.33","0.03","90.32","0.02","1444.5","0.7","293","2","293","2","","","","","","","crystallized from water/acetone","6","P -1","-P 1","2","fac-Dipyridiniomethane-Trifluorotrichloroosmate(IV)","fac-N,N'-methylenedipyridinium trichlorotrifluoroosmate(IV)","","- C11 H12 Cl3 F3 N2 Os -","- C11 H12 Cl3 F3 N2 Os -","- C44 H48 Cl12 F12 N8 Os4 -","4","2","JZ1030","Bruhn, C.; Preetz, W.","<i>fac</i>- and <i>mer</i>-Dipyridiniomethane Trichlorotrifluoroosmate(IV), <i>fac</i>- and <i>mer</i>-[(C~5~H~5~N)~2~CH~2~][OsCl~3~F~3~]","Acta Crystallographica Section C","1995","51","6","1112","1116","10.1107/S0108270194015015","","","0.71069","MoKα","","0.0222","0.0187","","0.0525","0.0503","","","","1.199","1.199","1.199","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003575","9.676","0.005","14.046","0.003","10.476","0.003","90","","97.357","0.004","90","","1412.1","0.9","293","2","293","2","","","","","","","crystallized from water/acetone","6","P 1 21/n 1","-P 2yn","14","mer-Dipyridiniomethane-Trifluorotrichloroosmate(IV)","mer-N,N'-methylenedipyridinium trichlorotrifluoroosmate(IV)","","- C11 H12 Cl3 F3 N2 Os -","- C11 H12 Cl3 F3 N2 Os -","- C44 H48 Cl12 F12 N8 Os4 -","4","1","JZ1030","Bruhn, C.; Preetz, W.","<i>fac</i>- and <i>mer</i>-Dipyridiniomethane Trichlorotrifluoroosmate(IV), <i>fac</i>- and <i>mer</i>-[(C~5~H~5~N)~2~CH~2~][OsCl~3~F~3~]","Acta Crystallographica Section C","1995","51","6","1112","1116","10.1107/S0108270194015015","","","0.71069","MoKα","","0.035","0.0183","","0.0453","0.039","","","","1.139","1.094","1.094","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003576","10.957","0.001","12.836","0.002","16.466","0.003","90","","90","","90","","2315.8","0.6","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O12 -","- C23 H33 N O12 -","- C92 H132 N4 O48 -","4","1","KA1049","Urbanczyk-Lipkowska, Z.","A Morphine Metabolite: ({-})-Morphine-3-<i>O</i>-β-<small>D</small>-glucuronide Trihydrate (M3G.3H~2~O)","Acta Crystallographica Section C","1995","51","6","1184","1187","10.1107/S010827019301265X","","","0.71069","MoKα","","","0.046","","","0.039","","","","","1.348","1.348","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003577","13.342","0.001","17.709","0.002","9.723","0.002","90","","97.23","0.01","90","","2279","0.6","295","2","","","","","","","","","CH~3~CH/H~2~O","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 B2 N12 Zn -","- C18 H20 B2 N12 Zn -","- C72 H80 B8 N48 Zn4 -","4","1","KH1006","Nakata, K.; Kawabata, S.; Ichikawa, K.","Bis[hydrotris(1-pyrazolyl-<i>N</i>^2^)borato]zinc(II)","Acta Crystallographica Section C","1995","51","6","1092","1094","10.1107/S0108270194013880","","","0.71073","MoKα","","","0.0467","","","0.0476","","","","","1.79","1.79","","","","","has coordinates","190560","2020-10-21","18:00:00",""
"2003578","14.049","0.001","7.874","0.0008","15.017","0.001","90","","115.45","0.01","90","","1499.9","0.2","293","2","293","2","","","","","","","Single crystals of vanillin were grown by gel technique. Details are published elsewhere (Sureshkumar, Sivakumar & Natarajan, 1994).","3","P 1 21 1","P 2yb","4","","3-methoxy-4-hydroxybenzaldehyde","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","4","LI1126","Velavan, R.; Sureshkumar, P.; Sivakumar, K.; Natarajan, S.","Vanillin-I","Acta Crystallographica Section C","1995","51","6","1131","1133","10.1107/S0108270194011923","","","0.71073","MoKα","","0.0426","0.025","","0.0658","0.0603","","","","0.97","1.066","1.066","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2003579","6.059","0.001","11.598","0.002","17.253","0.004","90","","90","","90","","1212.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Nitrobenzaldehydephenylhydrazone","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","1","LI1127","Velavan, R.; Sivakumar, K.; Anbu, M.","(<i>E</i>)-4-Nitrobenzaldehyde Phenylhydrazone","Acta Crystallographica Section C","1995","51","6","1227","1229","10.1107/S0108270194012606","","","1.5418","CuKα","","0.0398","0.0368","","0.1097","0.1074","","","","1.058","1.099","1.099","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003580","13.537","0.01","14.111","0.007","12.06","0.01","99.98","0.06","90.24","0.07","94.02","0.06","2263","3","188","","","","","","","","","","crystallization from ethanol","5","P -1","-P 1","2","","","","- C94 H102 Cu4 O14 P4 -","- C94 H102 Cu4 O14 P4 -","- C94 H102 Cu4 O14 P4 -","1","0.5","MU1081","Dunaj-Jurčo, M.; Koman, M.; Valigura, D.; Ondrejovič, G.","Bis(ethanol)-1κ<i>O</i>,4κ<i>O</i>-hexakis(μ-propionato)-1κ<i>O</i>:2κ<i>O</i>';2κ^4^<i>O</i>:3κ^4^<i>O</i>';3κ<i>O</i>:4κ<i>O</i>'-tetrakis(triphenylphosphine)-1κ^2^<i>P</i>,4κ^2^<i>P</i>-tetracopper(I,II), [Cu~4~(C~3~H~5~O~2~)~6~(C~2~H~6~O)~2~(C~18~H~15~P)~4~]","Acta Crystallographica Section C","1995","51","6","1082","1084","10.1107/S0108270194009935","","","1.54178","CuKα","","","0.0697","","","0.0734","","","","","1.58","1.58","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003581","7.435","0.003","14.124","0.003","13.693","0.003","90","","111.03","0.03","90","","1342.2","0.7","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","","","bis(2-chloro-6-flourobenzoato)di(nicotinamide)copper(II)","","- C26 H18 Cl2 Cu F2 N4 O6 -","- C26 H18 Cl2 Cu F2 N4 O6 -","- C52 H36 Cl4 Cu2 F4 N8 O12 -","2","0.5","MU1108","Hoang, N. N.; Valach, F.; Dunaj-Jurčo, M.","Bis(2-chloro-6-fluorobenzoato)bis(nicotinamide)copper(II)","Acta Crystallographica Section C","1995","51","6","1095","1097","10.1107/S0108270194013922","","","0.71069","MoKα","","","0.047","","","0.045","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003582","9.494","0.001","9.494","0.001","11.203","0.002","90","","90","","90","","1009.8","0.2","293","","","","","","","","","","Et~2~O/MeCN","6","P 4/m b m","-P 4 2ab","127","","","","- C8 H12 F12 N4 P2 Pt -","- C8 H12 F12 N4 P2 Pt -","- C16 H24 F24 N8 P4 Pt2 -","2","0.125","MU1154","Crossley, J. G.; Orpen, A. G.","[<i>M</i>(CNMe)~4~](PF~6~)~2~ (<i>M</i> = Pt, Pd)","Acta Crystallographica Section C","1995","51","6","1102","1105","10.1107/S0108270194014587","","","0.71073","MoKα","","","0.0287","","","0.0339","","","","","1.2","1.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003583","9.434","0.002","9.434","0.002","11.27","0.003","90","","90","","90","","1003","0.4","293","","","","","","","","","","Et~2~O/MeCN solvent diffusion","6","P 4/m b m","-P 4 2ab","127","","","","- C8 H12 F12 N4 P2 Pd -","- C8 H12 F12 N4 P2 Pd -","- C16 H24 F24 N8 P4 Pd2 -","2","0.125","MU1154","Crossley, J. G.; Orpen, A. G.","[<i>M</i>(CNMe)~4~](PF~6~)~2~ (<i>M</i> = Pt, Pd)","Acta Crystallographica Section C","1995","51","6","1102","1105","10.1107/S0108270194014587","","","0.71073","MoKα","","","0.0289","","","0.0466","","","","","1.817","1.817","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003584","11.749","0.001","23.342","0.002","12.644","0.002","90","","111.32","0.01","90","","3230.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(triphenylarsine)chloromethylplatinum(II)","","- C37 H33 As2 Cl Pt -","- C37 H33 As2 Cl Pt -","- C148 H132 As8 Cl4 Pt4 -","4","1","MU1156","Roodt, A.; Otto, S.; Leipoldt, J. G.","<i>trans</i>-Chloromethylbis(triphenylarsine)platinum(II)","Acta Crystallographica Section C","1995","51","6","1105","1106","10.1107/S0108270194014599","","","0.71073","MoKα","","0.0275","0.0275","","0.0696","0.0696","","","","1.066","1.066","1.066","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003585","13.747","0.009","21.08","0.04","10.3","0.01","90","","98.97","0.06","90","","2948","7","295","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 N O3 Si -","- C34 H39 N O3 Si -","- C136 H156 N4 O12 Si4 -","4","1","NA1106","Urtiaga, M. K.; Arriortua, M. I.; Tellitu, I.; Badía, D.; Domínguez, E.; Ochando, L.; Amigó, J. M.; Debaerdemaeker, T.","(1<i>R</i>*,3<i>S</i>*,4<i>R</i>*)-4-<i>tert</i>-Butyldiphenylsilyloxy-6,7-dimethoxy-1-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section C","1995","51","6","1232","1234","10.1107/S0108270194012825","","","0.71073","MoKα","","","0.071","","","0.094","","","","","1.115","1.115","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003586","7.59","0.001","11.64","0.001","11.748","0.003","88","0.01","88.08","0.01","80.02","0.01","1021.2","0.3","295","","295","","","","","","","","","3","P -1","-P 1","2","","3-(4-butoxycarbonyl-phenyloxycarbonyl)-Xanthen-9-one","","- C25 H20 O6 -","- C25 H20 O6 -","- C50 H40 O12 -","2","1","NA1123","Centore, R.; Ciajolo, M. R.; Tuzi, A.; Kricheldorf, H. R.","3-(4-Butoxycarbonylphenyloxycarbonyl)-xanthen-9-one","Acta Crystallographica Section C","1995","51","6","1211","1213","10.1107/S0108270194012710","","","1.54178","CuKα","","0.05","0.044","","","0.067","","","","","3.021","3.021","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2003587","9.1706","0.0041","9.3871","0.0073","9.5577","0.0027","112.988","0.057","113.552","0.022","93.402","0.051","671.3","0.8","250","","250","","","","","","","","synthetic","7","P 1","P 1","1","","(-)-{2,2-Bis-[(r)-4'-(benzyl)-oxazolin-2'-yl]propan}-π-allyl-palladium(II)- hexa-fluorophosphat","","- C26 H31 F6 N2 O2 P Pd -","- C26 H31 F6 N2 O2 P Pd -","- C26 H31 F6 N2 O2 P Pd -","1","1","NA1124","Zehnder, M.; Neuburger, M.; von Matt, P.; Pfaltz, A.","(Allyl)palladium(II) Complexes with Chiral Ligands. I. (Allyl)palladium(II) Complexes with Methylenebis(oxazoline) Ligands","Acta Crystallographica Section C","1995","51","6","1109","1112","10.1107/S0108270194013119","","","0.71069","MoKα","","","0.0176","","","0.0206","","","","","1.0996","1.0996","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003588","12.6087","0.0025","15.2262","0.0192","18.5205","0.007","90","","90","","90","","3556","5","250","","250","","","","","","","","synthetic","7","P 21 21 21","P 2ac 2ab","19","","(-)-{2,2-Bis-[(r)-4'-(benzyl)-oxazolin-2'-yl]propan}-{π-1,3-diphenylallyl}- palladium(II)-hexafluorophosphat","","- C38 H39 F6 N2 O2 P Pd -","- C38 H39 F6 N2 O2 P Pd -","- C152 H156 F24 N8 O8 P4 Pd4 -","4","1","NA1124","Zehnder, M.; Neuburger, M.; von Matt, P.; Pfaltz, A.","(Allyl)palladium(II) Complexes with Chiral Ligands. I. (Allyl)palladium(II) Complexes with Methylenebis(oxazoline) Ligands","Acta Crystallographica Section C","1995","51","6","1109","1112","10.1107/S0108270194013119","","","0.71069","MoKα","","","0.0309","","","0.0183","","","","","1.1326","1.1326","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003589","7.256","0.001","9.3991","0.0009","30.265","0.003","90","","90","","90","","2064.1","0.4","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O3 -","- C23 H32 O3 -","- C92 H128 O12 -","4","1","NA1126","Puliti, R.; De Rosa, S.; Mattia, C. A.","Crystal Studies of Avarol Derivatives. 5'-Acetylavarol from <i>Dysidea avara</i>","Acta Crystallographica Section C","1995","51","6","1195","1198","10.1107/S0108270194012722","","","1.54056","CuKα","","","0.0441","","","0.0438","","","","","0.88","0.88","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003590","11.746","0.001","16.535","0.001","24.139","0.001","90","","90","","90","","4688.3","0.5","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N8 Ni O6 -","- C20 H24 N8 Ni O6 -","- C160 H192 N64 Ni8 O48 -","8","1","NA1132","Soriano-García, M.; Pandiyan, T.; Durán de Bazúa, C.","[<i>N</i>,<i>N</i>'-Bis(benzimidazol-2-ylethyl)-1,2-ethanediamine](nitrato-<i>O</i>,<i>O</i>')nickel(II) Nitrate","Acta Crystallographica Section C","1995","51","6","1107","1109","10.1107/S010827019401406X","","","0.71073","MoKα","","","0.034","","","0.065","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003591","7.24","0.001","14.373","0.003","7.444","0.002","90","","90","","90","","774.6","0.3","293","","","","","","","","","","see text","5","P c a 21","P 2c -2ac","29","","","","- C6 H5 B F3 K -","- C6 H5 B Ce F3 K -","- C24 H20 B4 Ce4 F12 K4 -","4","1","NA1133","Conole, G.; Clough, A.; Whiting, A.","Potassium Trifluorophenylborate","Acta Crystallographica Section C","1995","51","6","1056","1059","10.1107/S0108270194014198","","","0.71073","MoKα","","","0.0481","","","0.0501","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003592","6.537","0.004","15.04","0.009","14.572","0.01","90","","92.92","0.05","90","","1430.8","1.6","291","","291","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(±)-threo-2,3-diphenyl, 3-hydroxypropanoic acid, dimethylamide","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C68 H76 N4 O8 -","4","1","NA1137","Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I.","(±)-<i>threo</i>-3-Hydroxy-2,3-diphenylpropanoic Acid Dimethylamide","Acta Crystallographica Section C","1995","51","6","1169","1170","10.1107/S0108270194014666","","","0.71073","MoKα","","0.0705","0.0445","","0.0916","0.068","","","","","0.73","0.73","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003593","12.705","0.004","21.68","0.006","13.013","0.004","90","","113.1","0.02","90","","3297","1.8","293","2","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl3 H18 N6 Ru -","- Cl3 H19 N6 Ru -","- Cl36 H228 N72 Ru12 -","12","1.5","OH1062","Engelhardt, L. M.; Reynolds, P. A.; Sobolev, A. N.","Reconciling the Crystal Structure of [Ru(NH~3~)~6~]Cl~3~ with its ESR Properties","Acta Crystallographica Section C","1995","51","6","1045","1047","10.1107/S0108270194009522","","","0.71073","MoKα","","","0.0271","","","0.0695","","","","","1.179","1.179","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003594","14.351","0.003","6.468","0.001","11.498","0.002","90","","118.42","0.01","90","","938.6","0.3","293","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- H16 Na2 O10 -","- H16 Na2 O10 -","- H64 Na8 O40 -","4","0.5","OH1071","Grehl, M.; Fröhlich, R.; Thiele, S.","Na~2~O~2~.8H~2~O","Acta Crystallographica Section C","1995","51","6","1038","1040","10.1107/S010827019401382X","","","0.71073","MoKα","","","0.0241","","","0.07","","","","","1.208","1.208","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003595","24.633","0.005","16.44","0.002","7.465","0.001","90","","92.86","0.01","90","","3019.3","0.8","293","","","","","","","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O6 -","- C18 H15 O6 -","- C144 H120 O48 -","8","2","PA1095","Wallet, J.-C.; Cody, V.","A New Polymorph of 7-Hydroxy-2',3',4'-trimethoxyflavone","Acta Crystallographica Section C","1995","51","6","1193","1195","10.1107/S0108270194005986","","","1.54184","CuKα","","","0.052","","","0.064","","","","","2.3","2.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003596","12.258","0.007","22.289","0.004","13.297","0.006","90","","104.64","0.04","90","","3515","3","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H44 Cl2 N2 O13 -","- C30 H44 Cl2 N2 O13 -","- C120 H176 Cl8 N8 O52 -","4","1","PA1136","Lahrahar, N.; Marsau, P.; Bouas-Laurent, H.; Desvergne, J.-P.; Fages, F.","The Water Inclusion Complex of a Fluorescent Diprotonated Anthracenocryptand","Acta Crystallographica Section C","1995","51","6","1218","1221","10.1107/S0108270194013570","","","0.71073","MoKα","","","0.061","","","0.056","","","","","1.47","1.47","","","","","has coordinates","198441","2020-10-21","18:00:00",""
"2003597","30.912","0.007","7.719","0.002","6.184","0.006","95.4","0.07","87.16","0.07","94.85","0.02","1462.5","1.5","293","","293","","","","","","","","crystallized from toluene","4","P 1","P 1","1","","4-(2,2,3,3,4,4,4-heptafluorobutyloxycarbonyl)phenyl undecyloxybenzoate","","- C29 H33 F7 O5 -","- C29 H33 F7 O5 -","- C58 H66 F14 O10 -","2","2","PA1138","Kromm, P.; Allouchi, H.; Bideau, J.-P.; Cotrait, M.; Nguyen, H. T.","A Mesogenic Perfluorinated Compound","Acta Crystallographica Section C","1995","51","6","1229","1231","10.1107/S0108270194013582","","","0.71069","MoKα","","","0.0452","","","0.0459","","","","","1.229","1.229","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2003598","16.881","0.009","12.659","0.009","9.201","0.006","90","","90","","90","","1966.5","","298","","","","","","","","","","from hexane","4","P m n b","","","","","","- C19 H26 Cl2 Ti -","- C9.5 H13 Cl Ti0.5 -","- C38 H52 Cl4 Ti2 -","4","0.5","","Urazowski, I.; Mkoyan, S.; Atovmyan, L.; Gautheron, B.; Broussier, R.; Perron, P.","syn-[2,2-Bis(3-isopropyl-η^5^-cyclopentadienyl)propane]dichlorotitanium","Acta Crystallographica Section C","1995","51","6","1063","1064","10.1107/S0108270194014083","","","0.71069","MoKα","","","0.049","","","0.055","","","","","1.4","1.4","","","","","has coordinates","175029","2020-10-21","18:00:00",""
"2003599","8.017","0.002","11.103","0.003","8.263","0.003","90","","111.53","0.04","90","","684.2","0.4","293","","293","","","","","","","","from chemical synthesis","3","P 1 21 1","P 2yb","4","","2α,3α,7β,13β-diépoxy-trans-himachalane.","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","PA1152","Chiaroni, A.; Riche, C.; Benharref, A.; El Jamili, H.; Lassaba, E.","2α,3α:7β,13β-Diépoxy-<i>trans</i>-himachalane","Acta Crystallographica Section C","1995","51","6","1171","1173","10.1107/S0108270194014125","","","0.7107","MoKα","","","0.057","","","0.075","","","","","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003600","10.785","0.005","15.709","0.006","20.884","0.008","90","","100.89","0.03","90","","3474","2","293","","293","","","","","","","","dimethylformamide/chloroform","6","P 1 21/n 1","-P 2yn","14","","1,1-Dichloro-3,3,5,5-tetraphenyl-1λ^4^,2,6,3λ^5^,5λ^5^-selena- diazadiphosphorin","","- C27 H24 Cl8 N2 P2 Se -","- C27 H24 Cl8 N2 P2 Se -","- C108 H96 Cl32 N8 P8 Se4 -","4","1","SE1064","Bolte, M.","1,1-Dichloro-3,3,5,5-tetraphenyl-1λ^4^,2,6,3λ^5^,5λ^5^-selenadiazadiphosphorin","Acta Crystallographica Section C","1995","51","6","1209","1211","10.1107/S0108270194008334","","","0.71069","MoKα","","0.18","0.1048","","0.2991","0.2524","","","","1.023","1.278","1.278","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003601","7.838","0.004","15.318","0.004","8.84","0.004","90","","116.22","0.04","90","","952.1","0.8","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H7 N O3 -","- C11 H7 N O3 -","- C44 H28 N4 O12 -","4","1","SE1071","Steiner, T.","<i>N</i>-(Propargyloxy)phthalimide","Acta Crystallographica Section C","1995","51","6","1135","1136","10.1107/S0108270194012941","","","1.54184","CuKα","","","0.049","","","0.049","","","","","1","1","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003602","11.623","0.001","20.861","0.002","12.57","0.001","90","","116.47","0.01","90","","2728.3","0.5","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-O-(Cyclohexylcarbamoyl)-6-deoxy-3,4-O- -(hexafluoroisopropylidene)-α-L-altropyranoside","","- C43 H52 F24 N2 O15 -","- C43 H52 F24 N2 O15 -","- C86 H104 F48 N4 O30 -","2","1","SE1073","Kopf, J.; Sheldrick, G.; Reinke, H.; Rentsch, D.; Miethchen, R.","The 2:1 Adduct of an α-<small>L</small>-Altropyranose Derivative with Hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone at 173 K","Acta Crystallographica Section C","1995","51","6","1198","1201","10.1107/S0108270194011157","","","1.54178","CuKα","","0.0489","0.0475","","0.1284","0.1246","","","","1.038","1.028","1.028","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003603","15.279","0.006","16.864","0.006","10.424","0.003","90","","90","","90","","2685.9","1.6","293","","","","","","","","","","Synthese in unserem Labor, Kristalle aus THF/n-Hexan","6","P b c n","-P 2n 2ab","60","","","","- C22 H26 Cl4 N5 O2 P3 -","- C22 H26 Cl4 N5 O2 P3 -","- C88 H104 Cl16 N20 O8 P12 -","4","0.5","SE1074","Diefenbach, U.; Allcock, H. R.; Visscher, K. B.","Strukturuntersuchungen einer anorganisch-organischen Spiroverbindung aus Cyclotriphosphazen und 9,10-Diaminophenanthren","Acta Crystallographica Section C","1995","51","6","1215","1218","10.1107/S0108270194013636","","","0.71073","MoKα","","","0.054","","","0.041","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003604","9.199","0.003","10.278","0.003","13.057","0.003","102.17","0.02","99.36","0.03","92.69","0.02","1186.5","0.6","300","1","300","1","","","","","","","","5","P -1","-P 1","2","","Bis-(tetraphenylphosphonium)-hexachlorodiindat(II)","","- C48 H40 Cl6 In2 P2 -","- C48 H40 Cl6 In2 P2 -","- C48 H40 Cl6 In2 P2 -","1","0.5","SE1075","Bubenheim, W.; Frenzen, G.; Müller, U.","Die Chloroindate [PPh~4~]~2~[In~2~Cl~6~] und [PPh~4~]~2~[InCl~5~].CH~3~CN","Acta Crystallographica Section C","1995","51","6","1120","1124","10.1107/S0108270194011789","","","0.71073","MoKα","","0.0443","0.0319","","0.0812","0.0758","","","","1.025","1.057","1.057","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003605","10.093","0.002","11.018","0.003","22.133","0.004","96.03","0.02","95.25","0.02","107.34","0.02","2316.8","0.9","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","Tetraphenylphosphonium-pentachloroindat(III)-Acetonitril","","- C50 H43 Cl5 In N P2 -","- C49 H40 Cl5 In N0.5 P2 -","- C98 H80 Cl10 In2 N P4 -","2","1","SE1075","Bubenheim, W.; Frenzen, G.; Müller, U.","Die Chloroindate [PPh~4~]~2~[In~2~Cl~6~] und [PPh~4~]~2~[InCl~5~].CH~3~CN","Acta Crystallographica Section C","1995","51","6","1120","1124","10.1107/S0108270194011789","","","0.71073","MoKα","","0.0366","0.0297","","0.0804","0.0762","","","","1.056","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003606","8.336","0.002","18.259","0.005","15.183","0.004","90","","91.58","0.02","90","","2310.1","1","173","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 I2 P2 -","- C20 H30 I2 P2 -","- C80 H120 I8 P8 -","4","1","SH1103","Stammler, H.-G.; Jutzi, P.; Neumann, B.; Brusdeilins, N.","1,2-Diiod-1,2-bis(pentamethylcyclopentadienyl)diphosphan","Acta Crystallographica Section C","1995","51","6","1139","1141","10.1107/S0108270194013272","","","0.71073","MoKα","","0.1039","0.0703","","0.183","0.1456","","","","1.532","1.554","1.554","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003607","13.829","0.002","13.829","0.002","26.687","0.004","90","","90","","120","","4419.9","1.1","233","2","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C30 H39 O3 P S -","- C30 H39 O3 P S -","- C180 H234 O18 P6 S6 -","6","0.333333","SH1106","Büyükgüngör, O.; Odabaşoğlu, M.; Gümrükçüoğlu, İ. E.; Eichhorn, K.; Mattern, G.","Tris(<i>O</i>-4-<i>tert</i>-butylphenyl)thiophosphate, C~30~H~39~O~3~PS","Acta Crystallographica Section C","1995","51","6","1207","1209","10.1107/S0108270194013624","","","0.71069","MoKα","","","0.044","","","0.107","","","","","1.118","1.118","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003608","13.526","0.007","7.801","0.007","8.706","0.011","90","","109.14","0.05","90","","867.8","1.4","293","","","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H10 Cr2 N2 O7 -","- C2 H10 Cr2 N2 O7 -","- C8 H40 Cr8 N8 O28 -","4","0.5","SH1107","Lorenzo-Luis, P. A.; Martín-Zarza, P.; Gili, P.; Arrieta, J. M.; Germain, G.; Dupont, L.","Ethylenediaminium Dichromate","Acta Crystallographica Section C","1995","51","6","1073","1075","10.1107/S0108270194014836","","","0.71073","MoKα","","","0.0223","","","0.0733","","","","","0.837","0.837","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003609","9.68","0.005","12.846","0.005","16.944","0.006","90","","90","","90","","2107","1.6","293","","","","","","","","","","synthesized in our own laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Cl2 O Ti -","- C23 H26 Cl2 O Ti -","- C92 H104 Cl8 O4 Ti4 -","4","1","TA1007","Tian, J.; Hu, N.-H.; Shen, Q.; Huang, B.-T.","Dichloro(η^5^-cyclopentadienyl){[1-(4-methoxyphenyl)cyclohexyl]-η^5^-cyclopentadienyl}titanium(IV)","Acta Crystallographica Section C","1995","51","6","1065","1067","10.1107/S0108270194013910","","","0.71069","MoKα","","","0.066","","","0.086","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003610","14.648","0.002","9.8802","0.0005","10.9","0.001","90","","134.984","0.003","90","","1115.8","0.2","300","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H27 Cl2 N Sn -","- C22 H27 Cl2 N Sn -","- C44 H54 Cl4 N2 Sn2 -","2","0.5","TA1012","Ng, S. W.","Tetramethylammonium Dichlorotriphenylstannate","Acta Crystallographica Section C","1995","51","6","1124","1125","10.1107/S0108270194014678","","","0.71073","MoKα","","","0.02","","","0.025","","","","","0.389","0.389","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003611","15.964","0.003","13.603","0.001","10.835","0.002","90","","97","0.007","90","","2335.4","0.6","298","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","diaqua-2,13-dimethyl-3,12,18-triaza-6,9-dioxabicyclo[12.3.1]octadeca- 1(18),2,12,14,16-pentaenemagnesium(II) perchlorate","","- C15 H25 Cl2 Mg N3 O12 -","- C15 H25 Cl2 Mg N3 O12 -","- C60 H100 Cl8 Mg4 N12 O48 -","4","0.5","TA1014","Othman, A. H.; Ng, S. W.","Diaqua[2,13-dimethyl-3,12,18-triaza-6,9-dioxa-bicyclo[12.3.1]octadeca-1(18),2,12,14,16-pentaene]magnesium(II) Diperchlorate","Acta Crystallographica Section C","1995","51","6","1059","1060","10.1107/S0108270194014848","","","0.71073","MoKα","","0.1008","0.0675","","0.1994","0.17","","","","1.062","1.099","1.099","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003612","16.38","0.003","5.5227","0.0005","17.355","0.003","90","","108.78","0.08","90","","1486.4","0.8","300","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 O5 S -","- C13 H16 N2 O5 S -","- C52 H64 N8 O20 S4 -","4","1","TA1018","Ng, S. W.","<i>S</i>-Benzylisothiouronium Hydrogen 2-Oxopentanedioate, C~8~H~11~N~2~S^+^.C~5~H~5~O~5~^{-^}","Acta Crystallographica Section C","1995","51","6","1143","1144","10.1107/S0108270194012382","","","0.71073","MoKα","","","0.06","","","0.069","","","","","0.465","0.465","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003613","13.247","0.003","6.769","0.001","7.302","0.001","90","","107.39","0.02","90","","624.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","di-chloro-bis(1-ethyltetrazole)copper(II)","trans-di-chloro-bis(1-ethyltetrazole-N^4^)copper(II)","","- C6 H12 Cl2 Cu N8 -","- C6 H12 Cl2 Cu N8 -","- C12 H24 Cl4 Cu2 N16 -","2","0.5","VS1015","Virovets, A. V.; Podberezskaya, N. V.; Lavrenova, L. G.; Bikzhanova, G. A.","<i>trans</i>-Dichlorobis(1-ethyltetrazole-<i>N</i>^4^)copper(II)","Acta Crystallographica Section C","1995","51","6","1084","1087","10.1107/S0108270194013429","","","1.54178","CuKα","","0.0628","0.0611","","0.1663","0.1636","","","","1.065","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003614","5.335","0.002","10.625","0.002","11.886","0.002","109.36","0.02","96.47","0.02","90.56","0.02","630.8","0.3","298","","","","","","","","","","slow recrystallization from DMF","5","P -1","-P 1","2","","","","- C12 H12 N4 O2 S -","- C12 H12 N4 O2 S -","- C24 H24 N8 O4 S2 -","2","1","AB1125","Pomés Hernández, R.; Duque Rodríguez, J.; García Trimiño, M. I.; Novoa de Armas, H.; Toscano, R. A.","6-Methylamino-4-methylthio-5-nitro-2-phenylpyrimidine","Acta Crystallographica Section C","1995","51","7","1392","1394","10.1107/S0108270194013831","","","0.71069","MoKα","","","0.061","","","0.068","","","","","1.11","1.11","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003615","10.412","0.003","12.9","0.002","16.892","0.005","81.48","0.03","73.48","0.03","79.6","0.02","2128.1","1","293","1","","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H64 O2 -","- C48 H64 O2 -","- C96 H128 O4 -","2","1","AB1130","Ting, Y.; Verboom, W.; Reinhoudt, D. N.; Harkema, S.","1,3-Diethoxy-2,4-didehydroxy-<i>p</i>-<i>tert</i>-butylcalix[4]arene","Acta Crystallographica Section C","1995","51","7","1465","1467","10.1107/S0108270194014150","","","0.7107","MoKα","","","0.07","","","0.08","","","","","2.38","2.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003616","9.093","0.007","12.108","0.009","12.599","0.008","64.1","0.04","80.35","0.05","87.61","0.06","1229.4","1.6","178","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H80 Ni2 O16 Sb4 -","- C32 H80 Ni2 O16 Sb4 -","- C32 H80 Ni2 O16 Sb4 -","1","0.5","AB1151","Bemm, U.; Norrestam, R.; Nygren, M.; Westin, G.","Two Transition-Metal Antimony Ethoxides: <i>M</i>~2~Sb~4~(OEt)~16~; <i>M</i> = Ni or Mn","Acta Crystallographica Section C","1995","51","7","1260","1263","10.1107/S0108270195000783","","","0.71073","MoKα","","","0.033","","","0.038","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003617","9.143","0.004","12.318","0.004","12.798","0.004","63.65","0.02","79.9","0.02","86.86","0.02","1271.1","0.8","178","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H80 Mn2 O16 Sb4 -","- C32 H80 Mn2 O16 Sb4 -","- C32 H80 Mn2 O16 Sb4 -","1","0.5","AB1151","Bemm, U.; Norrestam, R.; Nygren, M.; Westin, G.","Two Transition-Metal Antimony Ethoxides: <i>M</i>~2~Sb~4~(OEt)~16~; <i>M</i> = Ni or Mn","Acta Crystallographica Section C","1995","51","7","1260","1263","10.1107/S0108270195000783","","","0.71073","MoKα","","","0.039","","","0.054","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003618","10.879","0.005","17.591","0.007","10.649","0.005","102.96","0.04","97.46","0.03","81.64","0.03","1954.9","1.5","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H38 P2 Pd2 S4 -","- C40 P2 Pd2 S4 -","- C80 P4 Pd4 S8 -","2","1","AB1192","Cao, R.; Hong, M.; Jiang, F.; Liu, H.","A Dinuclear Palladium Compound, [Pd~2~(PPh~3~)~2~(SC~2~H~4~S)~2~]","Acta Crystallographica Section C","1995","51","7","1280","1282","10.1107/S0108270194015076","","","0.71073","MoKα","","","0.041","","","0.047","","","","","3.327","3.327","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003619","12.841","0.007","8.113","0.004","14.219","0.007","90","","115.89","0.04","90","","1332.6","1.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-Hydroxy-4'-methoxy Flavanone","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","1","AB1220","Kendi, E.; Özbey, S.; Ertan, R.; Fun, H.-K.; Yip, B.-C.","7-Hydroxy-4'-methoxyflavanone","Acta Crystallographica Section C","1995","51","7","1442","1444","10.1107/S010827019500062X","","","0.71073","MoKα","","0.1035","0.0598","","0.1868","0.1614","","","","1.075","1.276","1.276","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003620","5.894","0.003","12.954","0.001","23.602","0.002","90","","90","","90","","1802","0.9","293","","","","","","","","","","The material was supplied by Aldrich and recrystallized from toluene","3","F 2 d d","F -2d 2","43","","","","- C12 H8 F2 -","- C12 H8 F2 -","- C96 H64 F16 -","8","0.5","AB1225","Rajnikant; Watkin, D.; Tranter, G.","Disordered Fluorine in 2-Fluorobiphenyl","Acta Crystallographica Section C","1995","51","7","1452","1454","10.1107/S0108270195000631","","","1.54184","CuKα","","","0.04534","","","0.06006","","","","","0.85","0.85","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2003621","5.9268","0.0002","19.6263","0.0015","22.9946","0.0024","90","","93.853","0.006","90","","2668.7","0.4","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl3 N12 O8 -","- C19 H15 Cl3 N12 O10 -","- C76 H60 Cl12 N48 O40 -","4","1","AB1234","Llamas-Saiz, A. L.; Foces-Foces, C.; Echevarría, A.; Elguero, J.","The Relative Basicities of Tris(pyrazol-1-yl)-1,3,5-triazine (TPT), Water and the Picrate Anion in the Solid State","Acta Crystallographica Section C","1995","51","7","1401","1404","10.1107/S010827019500028X","","","1.5418","CuKα","","","0.062","","","0.071","","","","","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003622","21.8247","0.0007","21.8247","0.0007","11.1964","0.0004","90","","90","","120","","4618.5","0.3","295","","","","","","","","","","","3","P 62","P 62","171","","","","- C17 H20 O2 -","- C17 H20.5 O2 -","- C204 H246 O24 -","12","2","AB1235","Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C.","A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid","Acta Crystallographica Section C","1995","51","7","1447","1452","10.1107/S0108270195000801","","","1.5418","CuKα","","","0.055","","","0.074","","","","","1.05","1.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003623","25.5347","0.0033","17.3004","0.0014","7.6486","0.0003","90","","90","","90","","3378.8","0.5","295","","","","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C184 H160 O16 -","8","1","AB1235","Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C.","A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid","Acta Crystallographica Section C","1995","51","7","1447","1452","10.1107/S0108270195000801","","","1.5418","CuKα","","","0.035","","","0.039","","","","","1.15","1.15","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003624","11.6039","0.0005","31.6071","0.0019","6.2398","0.0002","90","","102.22","0.003","90","","2236.69","0.18","295","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H71 N O4 -","- C52 H71 N O4 -","- C104 H142 N2 O8 -","2","1","AB1235","Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C.","A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid","Acta Crystallographica Section C","1995","51","7","1447","1452","10.1107/S0108270195000801","","","1.5418","CuKα","","","0.049","","","0.056","","","","","1.15","1.15","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003625","7.487","0.002","15.47","0.007","8.131","0.007","90","","109.55","0.03","90","","887.5","0.9","293","2","293","2","","","","","","","Lab. of Medicinal Chemistry, Li\`ege","5","P 1 21/a 1","-P 2yab","14","","3-amino-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide monohydrate","","- C6 H8 N4 O3 S -","- C6 H8 N4 O3 S -","- C24 H32 N16 O12 S4 -","4","1","AB1238","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3-Amino-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate and 3-<i>tert</i>-Butyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1995","51","7","1385","1388","10.1107/S0108270195000278","","","1.5418","CuKα","","0.0466","0.0342","","0.1035","0.1002","","","","1.062","1.173","1.173","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003626","9.802","0.009","11.682","0.009","10.384","0.016","90","","108","0.1","90","","1131","2","293","2","293","2","","","","","","","Lab. of Medicinal Chemistry, Li\`ege","5","P 1 21/a 1","-P 2yab","14","","3-tert butyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C40 H52 N12 O8 S4 -","4","1","AB1238","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3-Amino-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate and 3-<i>tert</i>-Butyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1995","51","7","1385","1388","10.1107/S0108270195000278","","","1.5418","CuKα","","0.0489","0.0443","","0.1297","0.1276","","","","1.103","1.16","1.16","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003627","9.315","0.003","12.995","0.005","8.913","0.003","105.63","0.03","104.29","0.03","69.98","0.03","961.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(3-chloro-1,2-propanediolato)bis(2,3-dimethyl-2,3- butanediolato)tungsten(VI)","","- C15 H29 Cl O6 W -","- C15 H29 Cl O6 W -","- C30 H58 Cl2 O12 W2 -","2","1","AB1247","Lehtonen, A.; Sillanpää, R.","(3-Chloro-1,2-propanediolato-<i>O</i>,<i>O</i>')bis(2,3-dimethyl-2,3-butanediolato-<i>O</i>,<i>O</i>')tungsten(VI)","Acta Crystallographica Section C","1995","51","7","1270","1271","10.1107/S0108270195000485","","","0.71069","MoKα","","0.0813","0.0466","","0.1225","0.1091","","","","1.056","1.076","1.076","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003628","10.352","0.002","7.119","0.001","10.652","0.002","90","","104.89","0.03","90","","758.6","0.3","130","2","130","2","","","","","","","evaporation from hexane/dichloromethane","5","P 1 21 1","P 2yb","4","","methyl (S)-2-benzenesulfonyloxy-4-bromo-4-methylpentanoate","","- C13 H17 Br O5 S -","- C13 H17 Br O5 S -","- C26 H34 Br2 O10 S2 -","2","1","AB1251","Shaw, J. P.; Tan, E. W.; Blackman, A. G.","Homochiral Methyl (<i>S</i>)-2-Benzenesulfonyloxy-4-bromo-4-methylpentanoate","Acta Crystallographica Section C","1995","51","7","1411","1412","10.1107/S0108270195001818","","","0.71073","MoKα","","0.0555","0.04","","0.0898","0.0829","","","","1.05","1.068","1.068","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003629","9.834","0.005","10.973","0.006","11.51","0.006","112.51","0.02","89.56","0.02","107.24","0.02","1087.9","1","295","2","295","2","","","","","","","","3","P -1","-P 1","2","anthracenecarboxylic anhydride","5,5'-di(anthracenecarboxylic) anhydride","","- C30 H18 O3 -","- C30 H18 O3 -","- C60 H36 O6 -","2","1","AB1274","Blake, A. J.; Grimditch, R. S.; Schröder, M.","5,5'-Di(anthracenecarboxylic) Anhydride","Acta Crystallographica Section C","1995","51","7","1472","1474","10.1107/S0108270195004306","","","0.71073","MoKα","","0.0935","0.0555","","0.1724","0.1285","","","","1.042","1.07","1.07","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003630","6.466","0.003","4.634","0.002","10.755","0.005","90","","94.74","0.04","90","","321.2","0.3","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H4 N2 O4 -","- C5 H4 N2 O4 -","- C10 H8 N4 O8 -","2","1","AS1123","Stash, A. I.; Zavodnik, V. E.; Belsky, V. K.","A <i>Z</i> Isomer of 5-Nitrofuran-2-aldoxime","Acta Crystallographica Section C","1995","51","7","1303","1304","10.1107/S0108270194011042","","","0.71069","MoKα","","","0.03","","","0.08","","","","","1.13","1.13","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003631","10.086","0.003","8.829","0.002","10.503","0.002","90","","103.43","0.02","90","","909.7","0.4","296","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 O5 -","- C9 H10 O5 -","- C36 H40 O20 -","4","1","AS1143","Okabe, N.; Suga, T.; Kohyama, Y.","<small>DL</small>-4-Hydroxy-3-methoxymandelic Acid","Acta Crystallographica Section C","1995","51","7","1322","1324","10.1107/S0108270194013259","","","0.71069","MoKα","","","0.047","","","0.054","","","","","1.71","1.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003632","13.945","0.009","15.406","0.008","13.83","0.008","90","","90","","90","","2971","3","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H16 Br2 O4 -","- C13 H16 Br2 O4 -","- C104 H128 Br16 O32 -","8","1","AS1147","Satake, K.; Itoh, H.; Kimura, M.; Morosawa, S.; Kashino, S.","Dimethyl 4-<i>exo</i>,9-<i>endo</i>-Dibromobicyclo[3.3.1]non-2-ene-2,3-dicarboxylate","Acta Crystallographica Section C","1995","51","7","1397","1399","10.1107/S0108270195001235","","","0.71073","MoKα","","","0.047","","","0.03","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003633","11.528","0.003","9.166","0.001","14.655","0.002","90","","90","","90","","1548.5","0.5","296","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C64 H56 N24 O8 -","8","1","AS1148","Yang, Q.-C.; Huang, D.-M.; Chen, H.-Y.; Tang, Y.-Q.","Phenyl Carbamidonitrile","Acta Crystallographica Section C","1995","51","7","1412","1414","10.1107/S0108270194014290","","","0.71073","MoKα","","","0.0436","","","0.0455","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003634","4.867","0.002","6.895","0.002","20.2","0.006","90","","95.23","0.01","90","","675","0.4","293","","","","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 O3 -","- C7 H8 O3 -","- C28 H32 O12 -","4","1","AS1151","Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E.","Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol)","Acta Crystallographica Section C","1995","51","7","1335","1338","10.1107/S010827019401423X","","","0.71073","MoKα","","","0.077","","","0.104","","","","","1.83","1.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003635","20.828","0.003","20.828","0.003","7.832","0.002","90","","90","","120","","2942.4","1","293","","","","","","","","","","see text","3","R -3 :H","-R 3","148","","","","- C7 H8 O3 -","- C7 H8 O3 -","- C126 H144 O54 -","18","1","AS1151","Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E.","Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol)","Acta Crystallographica Section C","1995","51","7","1335","1338","10.1107/S010827019401423X","","","0.71073","MoKα","","","0.0408","","","0.057","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003636","7.144","0.003","7.641","0.002","7.7","0.004","62.13","0.01","68.28","0.01","76.39","0.01","344.2","0.3","293","","","","","","","","","","see text","3","P -1","-P 1","2","","","","- C7 H8 O3 -","- C7 H8 O3 -","- C14 H16 O6 -","2","1","","Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E.","Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol)","Acta Crystallographica Section C","1995","51","7","1335","1338","10.1107/S010827019401423X","","","0.71073","MoKα","","","0.0519","","","0.0733","","","","","1.1","1.1","","","","","has coordinates","175362","2020-10-21","18:00:00",""
"2003637","6.807","0.001","8.5813","0.0009","13.994","0.004","90","","98.2","0.01","90","","809.1","0.3","298","2","","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cl N O3 -","- C6 H8 Cl N O3 -","- C24 H32 Cl4 N4 O12 -","4","1","AS1154","Smith, G.; Byriel, K. A.; Kennard, C. H. L.","2-Carboxypyridinium Chloride Monohydrate","Acta Crystallographica Section C","1995","51","7","1425","1427","10.1107/S0108270195000175","","","0.71073","MoKα","","","0.039","","","0.095","","","","","1.01","1.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003638","11.356","0.002","5.358","0.001","14.122","0.002","90","","105.94","","90","","826.2","0.2","296","","","","","","","","","","evaporation from water","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","AS1155","Okabe, N.; Suga, T.","3-(<i>p</i>-Hydroxyphenyl)propionic Acid","Acta Crystallographica Section C","1995","51","7","1324","1325","10.1107/S0108270194014964","","","0.71069","MoKα","","","0.05","","","0.063","","","","","2.44","2.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003639","14.298","0.003","14.4","0.003","27.187","0.003","90","","91.54","0.01","90","","5595.5","1.8","296","1","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C272 H224 N32 O32 -","16","2","BK0003","Akama, Y.; Shiro, M.; Ueda, T.; Kajitani, M.","Keto and Enol Tautomers of 4-Benzoyl-3-methyl-1-phenyl-5(2<i>H</i>)-pyrazolone","Acta Crystallographica Section C","1995","51","7","1310","1314","10.1107/S0108270194007389","","","1.54178","CuKα","","","0.038","","","0.056","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003640","11.44","0.004","9.11","0.007","13.51","0.009","90","","90.8","0.3","90","","1407.9","1.5","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","BK0003","Akama, Y.; Shiro, M.; Ueda, T.; Kajitani, M.","Keto and Enol Tautomers of 4-Benzoyl-3-methyl-1-phenyl-5(2<i>H</i>)-pyrazolone","Acta Crystallographica Section C","1995","51","7","1310","1314","10.1107/S0108270194007389","","","0.7107","MoKα","","","0.063","","","0.077","","","","","2.19","2.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003641","10.33","0.001","24.092","0.001","21.543","0.001","90","","97.89","0.01","90","","5310.7","0.6","127","2","127","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquo-5,10,15,20-(Tetraphenylporphinato)iron(III) Perchlorate","","- C44 H32 Cl Fe N4 O6 -","- C44 H32 Cl Fe N4 O6 -","- C264 H192 Cl6 Fe6 N24 O36 -","6","1.5","BK1091","Cheng, B.; Scheidt, W. R.","Diaqua(5,10,15,20-tetraphenylporphinato)iron(III) Perchlorate, [Fe(C~44~H~28~N~4~)(H~2~O)~2~]ClO~4~","Acta Crystallographica Section C","1995","51","7","1271","1275","10.1107/S0108270195001028","","","0.71073","MoKα","","0.1133","0.0684","","0.1939","0.1657","","","","1.057","1.156","1.156","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003642","32.456","0.005","5.674","0.002","3.995","0.002","90","","90","","90","","735.7","0.5","296","","","","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- Nb5 O17 Sr5 -","- Nb5 O17 Sr5 -","- Nb10 O34 Sr10 -","2","0.5","BR1096","Schmalle, H. W.; Williams, T.; Reller, A.; Lichtenberg, F.; Widmer, D.; Bednorz, J. G.","A Novel Semiconducting Perovskite-Related Phase: Sr~5~Nb~5~O~17~","Acta Crystallographica Section C","1995","51","7","1243","1246","10.1107/S0108270195000977","","","0.71073","MoKα","","","0.0387","","","0.0449","","","","","3.396","3.396","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003643","6.7214","0.0006","13.8558","0.0007","7.2764","0.0004","90","","105.927","0.006","90","","651.64","0.08","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Al4 F9 K3 O8 P2 -","- Al4 F9 K3 O8 P2 -","- Al8 F18 K6 O16 P4 -","2","0.5","BR1099","Massa, W.; Yakubovich, O. V.; Karimova, O. V.; Dem'yanets, L. N.","A New Type of Mixed Anionic Framework in the Structure of K~3~[Al~4~F~9~(PO~4~)~2~]","Acta Crystallographica Section C","1995","51","7","1246","1249","10.1107/S0108270195000576","","","1.54178","CuKα","","0.0381","0.0333","","0.0912","0.0879","","","","1.03","1.056","1.056","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003644","7.479","0.002","12.221","0.005","19.306","0.006","90","","90","","90","","1764.6","1","295","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H25 F2 N2 O5 P S -","- C10 H25 F2 N2 O5 P S -","- C40 H100 F8 N8 O20 P4 S4 -","4","1","CR1095","Baenziger, N. C.; Burton, D. J.; Modak, A. S.","Triethylammonium Isopropyl [(Aminosulfonyl)(difluoro)methyl]phosphonate","Acta Crystallographica Section C","1995","51","7","1355","1356","10.1107/S0108270194012254","","","0.71073","MoKα","","","0.034","","","0.056","","","","","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003645","7.37","0.001","10.919","0.002","9.887","0.001","90","","108.45","0.01","90","","754.74","0.19","293","","","","","","","","","","recrystallization from ethanol","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Br N O3 -","- C6 H4 Br N O3 -","- C24 H16 Br4 N4 O12 -","4","1","CR1140","Pomés, R.; Duque, J.; Novoa, H.; Castañedo, N.; Toscano, A.","5-Bromo-2-(2-nitroethenyl)furan","Acta Crystallographica Section C","1995","51","7","1368","1369","10.1107/S0108270194012394","","","0.71069","MoKα","","","0.05","","","0.06","","","","","1.61","1.61","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003646","9.248","0.002","16.521","0.004","10.359","0.002","90","","109.31","0.01","90","","1493.7","0.6","294","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","CR1149","Wireko, F. C.; Matthews, R. S.; Thoman, S. M.; Hennes, D. H.; Sickman, L. H.","An Unexpected Intermediate in the Synthesis of Substituted Pyridones","Acta Crystallographica Section C","1995","51","7","1404","1407","10.1107/S0108270195001259","","","1.5406","CuKα","","","0.052","","","0.035","","","","","2.43","2.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003647","7.986","0.001","12.798","0.003","5.481","0.001","94.08","0.02","95.45","0.01","95.81","0.01","552.94","0.18","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10 N Na O9 S -","- C6 H10 N Na O9 S -","- C12 H20 N2 Na2 O18 S2 -","2","1","CR1155","Squattrito, P. J.","Sodium 4-Hydroxy-3-nitrobenzenesulfonate Trihydrate","Acta Crystallographica Section C","1995","51","7","1282","1284","10.1107/S0108270195000849","","","0.71073","MoKα","","","0.031","","","0.032","","","","","1.74","1.74","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003648","5.502","0.001","15.384","0.001","9.918","0.002","90","","93.43","0.02","90","","838","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2',3'-dideoxy-3'-C-2'-N-[N(R)-methyl-5-(R)-ethoxycarbonyl-1,2-isoxazolidine] ribothymidine","","- C15 H21 N3 O7 -","- C15 H21 N3 O7 -","- C30 H42 N6 O14 -","2","1","CR1159","Burkhart, B. M.; Papchikhin, A.; Chattopadhyaya, J.; Sundaralingam, M.","2',3'-Dideoxy-3'-<i>C</i>,2'-<i>N</i>-[(3<i>R</i>,5<i>R</i>)-5-ethoxycarbonyl-2-methyl-1,2-isoxazolidine]ribothymidine","Acta Crystallographica Section C","1995","51","7","1462","1464","10.1107/S0108270194014332","","","0.7107","MoKα","","0.0762","0.0369","","0.1311","0.0834","","","","1.05","1.091","1.091","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003649","15.134","0.002","7.403","0.002","17.27","0.002","90","","105.25","0.01","90","","1866.7","0.6","293","","293","","","","","","","","synthesized by authors","3","P 1 21 1","P 2yb","4","cholesteryl-4-octeneoxybenzoate","cholesteryl-4-octeneoxybenzoate","","- C42 H64 O3 -","- C42 H64 O3 -","- C84 H128 O6 -","2","1","CR1163","Chabinyc, M. L.; Fratini, A. V.; Socci, E. P.; Farmer, B. L.; Bunning, T. J.; Adams, W. W.","Cholesteryl 4-(8-Octenyloxy)benzoate","Acta Crystallographica Section C","1995","51","7","1444","1447","10.1107/S010827019500093X","","","0.71073","MoKα","","0.163","0.059","","0.079","0.05","","","","1.492","1.549","1.549","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2003650","8.2796","0.0009","8.644","0.001","11.336","0.001","97.84","0.01","104.36","0.01","115.03","0.01","684.7","0.16","293","","","","","","","","","","see text","5","P -1","-P 1","2","","","","- C14 H12 Cl2 N2 O -","- C14 H12 Cl2 N2 O -","- C28 H24 Cl4 N4 O2 -","2","1","CR1173","Mague, J. T.; De, D.; Krogstad, D. J.","An Intermediate for Chloroquine Analogs: (<i>E</i>)-2-(4,7-Dichloro-2-quinolinyl)-3-(dimethylamino)-2-propenal","Acta Crystallographica Section C","1995","51","7","1423","1425","10.1107/S0108270195000151","","","0.71073","MoKα","","","0.038","","","0.049","","","","","1.56","1.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003651","9.418","0.006","14.31","0.01","6.303","0.007","90","","92.45","0.07","90","","848.7","1.2","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 F N O3 P -","- C6 H9 F N O3 P -","- C24 H36 F4 N4 O12 P4 -","4","1","DU1082","Khaoulani Idrissi, A.; Rafiq, M.; Gougeon, P.; Guerin, R.","Anilinium Hydrogen Monofluorophosphate, C~6~H~8~N^+^.HPO~3~F^{-^}","Acta Crystallographica Section C","1995","51","7","1359","1361","10.1107/S010827019401214X","","","0.71073","MoKα","","","0.046","","","0.049","","","","","1.165","1.165","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003652","4.904","0.001","4.904","0.001","26.186","0.01","90","","90","","120","","545.4","0.3","293","2","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Co6.3 Nb6.7 -","- Co6.3 Nb6.7 -","- Co18.9 Nb20.1 -","3","0.0833333","DU1106","Wagner, V.; Conrad, M.; Harbrecht, B.","The μ-Phase of Co~6.3~Nb~6.7~","Acta Crystallographica Section C","1995","51","7","1241","1243","10.1107/S0108270195000552","","","0.71069","MoKα","","","0.0286","","0.096","0.081","","","","","1.076","1.076","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2003653","7.2169","0.0005","7.2821","0.0006","11.5524","0.0002","82.154","0.01","87.096","0.01","64.494","0.01","542.8","0.08","293","2","293","2","","","","","","","synth\`ese","5","P -1","-P 1","2","","Ortho-phénylènediammonium Dihydrogénodiphosphate","","- C6 H12 N2 O7 P2 -","- C6 H12 N2 O7 P2 -","- C12 H24 N4 O14 P4 -","2","1","DU1108","Soumhi, E. H.; Jouini, T.","<i>o</i>-Phénylènediammonium Dihydrogénodiphosphate","Acta Crystallographica Section C","1995","51","7","1457","1459","10.1107/S0108270195000230","","","0.71069","MoKα","","0.031","0.028","","0.0808","0.0801","","","","2.817","2.925","2.925","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003654","23.512","0.004","23.861","0.004","22.417","0.004","90","","103.16","0.01","90","","12246","4","120","","","","","","","","","","Mn(O~2~CCH~3~)~2~.4H~2~O + C~5~H~5~N + 3,5-(NO~2~)~2~-C~6~H~3~CO~2~H + ^n^Bu~4~MnO~4~ in C~2~H~5~OH; crystals from acetone/ether","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H84 Mn6 N22 O68 -","- C104 H78 Mn6 N22 O67 -","- C416 H312 Mn24 N88 O268 -","4","0.5","FG1000","Halcrow, M. A.; Streib, W. E.; Folting, K.; Christou, G.","[Mn~6~O~2~{O~2~C-3,5-(NO~2~)~2~-C~6~H~3~}~10~(C~5~H~5~N)~2~{(CH~3~)~2~CO}~2~].2(CH~3~)~2~CO.2(C~2~H~5~)~2~O and [Mn~6~O~2~(O~2~CC~6~H~5~)~10~(NCCH~3~)~4~]","Acta Crystallographica Section C","1995","51","7","1263","1267","10.1107/S0108270194013764","","","0.71069","MoKα","","","0.0685","","","0.0666","","","","","1.415","1.415","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003655","18.441","0.003","24.561","0.004","17.497","0.003","90","","90","","90","","7925","2","103","","","","","","","","","","Ph~4~P[Mn~4~O~2~(O~2~CPh)~9~(OH~2~)] + Na^+^(2-Me~2~N-C~6~H~4~CO~2~^-^) in MeCN at 263 K","5","P b n a","-P 2ac 2b","60","","","","- C78 H62 Mn6 N4 O22 -","- C78 H62 Mn6 N4 O22 -","- C312 H248 Mn24 N16 O88 -","4","0.5","FG1000","Halcrow, M. A.; Streib, W. E.; Folting, K.; Christou, G.","[Mn~6~O~2~{O~2~C-3,5-(NO~2~)~2~-C~6~H~3~}~10~(C~5~H~5~N)~2~{(CH~3~)~2~CO}~2~].2(CH~3~)~2~CO.2(C~2~H~5~)~2~O and [Mn~6~O~2~(O~2~CC~6~H~5~)~10~(NCCH~3~)~4~]","Acta Crystallographica Section C","1995","51","7","1263","1267","10.1107/S0108270194013764","","","0.71069","MoKα","","","0.075","","","0.064","","","","","1.072","1.072","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003656","11.968","0.002","7.34","0.001","13.539","0.002","90","","99.77","0.01","90","","1172.1","0.3","195","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 O2 S2 -","- C24 H38 O2 S2 -","- C48 H76 O4 S4 -","2","0.5","FG1013","Pelletier, M.; Brisse, F.; Cloutier, R.; Leclerc, M.","3,3'-Bis(octyloxy)-2,2'-bithiophene at 195 K","Acta Crystallographica Section C","1995","51","7","1394","1397","10.1107/S0108270195001090","","","1.54184","CuKα","","","0.036","","","0.046","","","","","1.749","1.749","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003657","10.345","0.001","17.316","0.002","15.94","0.002","90","","90","","90","","2855.4","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis(5,5-diphenylhydantoinato)diamminezinc(II) Hemihydrate","","- C30 H29 N6 O4.5 Zn -","- C30 H29 N6 O4.5 Zn -","- C120 H116 N24 O18 Zn4 -","4","0.5","FG1044","Roszak, A. W.; Milne, P.; Weaver, D. F.","Diamminebis(5,5-diphenylhydantoinato)zinc(II) Hemihydrate","Acta Crystallographica Section C","1995","51","7","1297","1300","10.1107/S0108270195000291","","","0.71069","MoKα","","0.0577","0.0423","","0.1373","0.1199","","","","1.092","1.092","1.092","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003658","11.793","0.003","23.267","0.003","12.713","0.001","90","","111.48","0.02","90","","3246","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 As2 Cl Pd -","- C37 H33 As2 Cl Pd -","- C148 H132 As8 Cl4 Pd4 -","4","1","FG1047","Rath, N. P.; Ladipo, F. T.; Anderson, G. K.","<i>trans</i>-Chloro(methyl)bis(triphenylarsine)palladium(II)","Acta Crystallographica Section C","1995","51","7","1289","1290","10.1107/S010827019401485X","","","0.71073","MoKα","","0.0812","0.0365","","0.0807","0.0723","","","","0.815","0.996","0.996","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003659","7.136","0.001","7.221","0.001","24.405","0.003","90","","90","","90","","1257.6","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4R,5R)-(-)-3 Isopropyl-4-methyl-5-phenyl-1,2,3-oxathiazolidine 2-Oxide","","- C12 H17 N O2 S -","- C12 H17 N O2 S -","- C48 H68 N4 O8 S4 -","4","1","FG1054","Robinson, P. D.; Hua, D. H.; Chen, J.; Lagneau, N.","(2<i>S</i>,4<i>R</i>,5<i>R</i>)-({-})-3-Isopropyl-4-methyl-5-phenyl-1,2,3-oxathiazolidine 2-Oxide","Acta Crystallographica Section C","1995","51","7","1372","1374","10.1107/S010827019500076X","","","0.71069","MoKα","","","0.031","","","0.036","","","","","1.54","1.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003660","12.33","0.03","8.26","0.04","14.25","0.03","90","","115","0.5","90","","1315","9","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2-dimethyl-9-phenyl-1,2H-dihydropurine-6-carboxamide","","- C14 H15 N5 O -","- C14 H15 N5 O -","- C56 H60 N20 O4 -","4","1","HA1128","Beagley, B.; Booth, B. L.; Eastwood, P. R.; Kieger, S.; Pritchard, R. G.; Alves, M. J.; Carvalho, A.; Proença, M. F. J. R. P.","A Tautomeric Pair of 2,2-Dimethyl-6-carbamoyl-9-phenyldihydropurines","Acta Crystallographica Section C","1995","51","7","1467","1470","10.1107/S0108270194009558","","","0.71069","MoKα","","","0.049","","","0.052","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003661","11.13","0.008","7.999","0.008","15.162","0.008","90","","95.81","0.05","90","","1342.9","1.8","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2-dimethyl-9-phenyl-2,3H-dihydropurine-6-carboxamide","","- C14 H15 N5 O -","- C14 H15 N5 O -","- C56 H60 N20 O4 -","4","1","HA1128","Beagley, B.; Booth, B. L.; Eastwood, P. R.; Kieger, S.; Pritchard, R. G.; Alves, M. J.; Carvalho, A.; Proença, M. F. J. R. P.","A Tautomeric Pair of 2,2-Dimethyl-6-carbamoyl-9-phenyldihydropurines","Acta Crystallographica Section C","1995","51","7","1467","1470","10.1107/S0108270194009558","","","0.71069","MoKα","","","0.066","","","0.078","","","","","2.51","2.51","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003662","25.166","0.001","8.588","0.001","18.382","0.001","90","","136.53","0.04","90","","2733","2","296","1","","","","","","","","","recrystallization from methanol","3","C 1 2 1","C 2y","5","","","","- C17 H19 N3 -","- C17 H19 N3 -","- C136 H152 N24 -","8","2","HA1136","Baradarani, M. M.; Beddoes, R. L.; Mills, O. S.; Joule, J. A.","A Naphthalene-Fused Tricyclic Orthoamide","Acta Crystallographica Section C","1995","51","7","1345","1347","10.1107/S010827019401471X","","","0.71073","MoKα","","","0.032","","","0.041","","","","","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003663","15.988","0.004","5.715","0.001","16.097","0.004","90","","112.88","0.02","90","","1355.1","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(∓)-threo-2,3-diphenyl-3-hydroxypropanoic acid, methyl ester","","- C16 H16 O3 -","- C16 H15 O3 -","- C64 H60 O12 -","4","1","HA1137","Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I.","(±)-<i>threo</i>-3-Hydroxy-2,3-diphenylpropanoic Acid Methyl Ester","Acta Crystallographica Section C","1995","51","7","1350","1352","10.1107/S0108270194014277","","","0.71073","MoKα","","0.0579","0.0409","","0.1202","0.1079","","","","1.041","1.175","1.175","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003664","26.6","0.01","12.219","0.002","7.822","0.002","90","","90","","90","","2542.3","1.2","293","2","293","2","","","","","","","chemical synthesis (see Comment)","6","P b c a","-P 2ac 2ab","61","","4-[2-(methylamino)ethyl]-1,2-benzenediol 1-(dihydrogenphospate) hydrochloride","","- C9 H15 Cl N O5 P -","- C9 H15 Cl N O5 P -","- C72 H120 Cl8 N8 O40 P8 -","8","1","HA1141","Ianelli, S.; Nardelli, M.; Doggi, F.; Norcini, G.; Santangelo, F.","Hydrogen-Bonding Stabilization of <i>N</i>-Methyldopamine 4-<i>O</i>-Dihydrogenphosphate in HCl Acidic Solution: Synthesis of Z2055, a New Dopaminergic Prodrug","Acta Crystallographica Section C","1995","51","7","1338","1341","10.1107/S0108270194014721","","","1.54178","CuKα","","0.1368","0.1077","","0.2299","0.2085","","","","1.27","1.325","1.325","","","","","has coordinates","288349","2023-12-15","17:38:15",""
"2003665","10.809","0.002","9.581","0.002","10.986","0.002","90","","109.54","0.01","90","","1072.2","0.4","293","","","","","","","","","","Single crystals were obtained by slow evaporation of an aqueous ethanol solution.","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N6 O4 -","- C8 H8 N6 O4 -","- C32 H32 N24 O16 -","4","1","HR1036","Casas, J. S.; Castiñeiras, A.; Martínez, G.; Sordo, J.; Varela, J. M.","1,1'-Dimethyl-4,5'-dinitro-2,2'-biimidazole, C~8~H~8~N~6~O~4~","Acta Crystallographica Section C","1995","51","7","1414","1416","10.1107/S0108270194014915","","","0.71073","MoKα","","","0.0515","","","0.0524","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003666","14.339","0.001","4.804","0.001","20.812","0.002","90","","101.48","0.01","90","","1404.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1-(2`-Benzthiazolyl)-3-Carbomethoxymethyl-2-Thioxo-4-imidazolinone], C~13~H~11~N~3~O~3~S~2~","","- C13 H11 N3 O3 S2 -","- C13 H11 N3 O3 S2 -","- C52 H44 N12 O12 S8 -","4","1","HR1040","Kozísek, J.; Ulický, L.; Floch, L.; Langer, V.","1-(2-Benzothiazolyl)-3-methoxycarbonylmethyl-2-thioxo-4-imidazolidinone, C~13~H~11~N~3~O~3~S~2~","Acta Crystallographica Section C","1995","51","7","1429","1431","10.1107/S0108270195000254","","","0.71069","MoKα","","0.1772","0.0417","","0.1249","0.0905","","","","1.004","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003667","21.395","0.003","13.517","0.001","14.905","0.002","90","","107.75","0.01","90","","4105.3","0.9","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H28 N4 O5 -","- C19 H28 N4 O5 -","- C152 H224 N32 O40 -","8","1","HR1051","Hundal, G.; Hundal, M. S.; Kumar, S.; Singh, H.; Sanz-Aparicio, J.","2,3-Benzo-11-(2-cyanoethyl)-1,4-dioxa-7,11,15-triazacycloheptadec-2-ene-6,16-dione‒Water (1/1)","Acta Crystallographica Section C","1995","51","7","1459","1462","10.1107/S0108270195000424","","","1.5418","CuKα","","","0.049","","","0.058","","","","","0.54","0.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003668","8.537","0.004","13.936","0.002","12.839","0.003","90","","92.92","0.03","90","","1525.5","0.8","140","2","140","2","","","","","","","Aldrich","4","P 1 21/a 1","-P 2yab","14","chloroxylenol","4-chloro-3,5-dimethylphenol","","- C8 H9 Cl O -","- C8 H9 Cl O -","- C64 H72 Cl8 O8 -","8","2","HU1115","Cox, P. J.","Chloroxylenol, C~8~H~9~ClO","Acta Crystallographica Section C","1995","51","7","1361","1364","10.1107/S0108270194012588","","","0.71069","MoKα","","0.0483","0.0407","","0.1001","0.0979","","","","0.99","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003669","5.59","0.002","25.299","0.004","7.31","0.002","90","","90.9","0.02","90","","1033.7","0.5","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-N-4-Fluorophenyl-C-phenylnitrone","","- C13 H10 F N O -","- C13 H10 F N O -","- C52 H40 F4 N4 O4 -","4","1","HU1138","Banks, R. E.; DuBoisson, R. A.; Pritchard, R. G.; Tipping, A. E.","(<i>Z</i>)-<i>N</i>-4-Fluorophenyl-<i>C</i>-phenylnitrone. Confirmation that the Exclusive Product of the Reaction Between Benzaldehyde and 4-Fluorophenylhydroxylamine is the <i>Z</i> Isomer","Acta Crystallographica Section C","1995","51","7","1470","1472","10.1107/S0108270194014745","","","0.71069","MoKα","","","0.0561","","","0.0695","","","","","1.478","1.478","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003670","5.556","0.002","15.332","0.004","10.427","0.004","90","","90.47","0.02","90","","888","1","296","","","","","","","","","","synthesized at UMIST","5","P 1 21 1","","","","","","- C21 H17 F N2 O3 -","- C21 H17 F N2 O3 -","- C42 H34 F2 N4 O6 -","2","1","","Banks, R. E.; DuBoisson, R. A.; Pritchard, R. G.; Tipping, A. E.","(Z)-2-(4-Fluorophenyl)-3-(3-nitrophenyl)-5-phenylisoxazolidine: the Major Isomer Formed by 1,3-Dipolar Addition of an Arylnitrone to Styrene","Acta Crystallographica Section C","1995","51","7","1434","1435","10.1107/S0108270194014757","","","0.71069","MoKα","","","0.0617","","","0.0701","","","","","1.649","1.649","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2003671","5.842","0.001","10.309","0.001","11.062","0.001","66.53","0.01","76.15","0.01","73.03","0.01","578.7","0.13","296","","296","","","","","","","","","5","P -1","-P 1","2","","N-(4-fluorophenyl)-2,3,4,5-tetrafluoro-6-hydroxybenzamide","","- C13 H6 F5 N O2 -","- C13 H6 F5 N O2 -","- C26 H12 F10 N2 O4 -","2","1","HU1141","Banks, R. E.; DuBoisson, R. A.; Pritchard, R. G.; Tipping, A. E.","2,3,4,5-Tetrafluoro-<i>N</i>-(4-fluorophenyl)-6-hydroxybenzamide: an Example of a Combined Inter- and Intramolecular O···H···O Bifurcated Hydrogen Bond","Acta Crystallographica Section C","1995","51","7","1427","1429","10.1107/S0108270194014769","","","0.71069","MoKα","","","0.0528","","","0.053","","","","","1.39","1.39","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003672","6.361","0.001","6.878","0.001","7.801","0.001","90","","108.47","0.01","90","","323.72","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,3-Dideoxy-D-erythro-hex-2-enono-1,5-lactone","","- C6 H8 O4 -","- C6 H8 O4 -","- C12 H16 O8 -","2","1","HU1146","Fun, H.-K.; Sivakumar, K.; Ang, H.-B.; Sam, T.-W.; Gan, E.-K.","2,3-Dideoxy-<small>D</small>-<i>erythro</i>-hex-2-enono-1,5-lactone and 1,4-Lactone Obtained from Tri-<i>O</i>-acetyl-<small>D</small>-glucal","Acta Crystallographica Section C","1995","51","7","1330","1333","10.1107/S0108270194014782","","","0.71073","MoKα","","0.0315","0.031","","0.0885","0.0879","","","","1.071","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003673","4.558","0.001","4.747","0.001","8.15","0.002","76.92","0.02","75.61","0.02","82.17","0.02","165.78","0.07","293","2","293","2","","","","","","","","3","P 1","P 1","1","","2,3-Dideoxy-D-erythro-hex-2-enono-1,4-lactone","","- C6 H8 O4 -","- C6 H8 O4 -","- C6 H8 O4 -","1","1","HU1146","Fun, H.-K.; Sivakumar, K.; Ang, H.-B.; Sam, T.-W.; Gan, E.-K.","2,3-Dideoxy-<small>D</small>-<i>erythro</i>-hex-2-enono-1,5-lactone and 1,4-Lactone Obtained from Tri-<i>O</i>-acetyl-<small>D</small>-glucal","Acta Crystallographica Section C","1995","51","7","1330","1333","10.1107/S0108270194014782","","","0.71073","MoKα","","0.0463","0.0372","","0.0944","0.0916","","","","0.946","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003674","10.216","0.006","13.236","0.006","15.534","0.007","93.89","0.03","99.92","0.03","102.28","0.03","2009.8","1.8","223","","","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H38 N3 O P2 Re S2 -","- C45 H38 N3 O P2 Re S2 -","- C90 H76 N6 O2 P4 Re2 S4 -","2","1","JZ1024","Hübener, R.; Abram, U.; Strähle, J.","Isothiocyanato Complexes of Rhenium. V. <i>trans</i>-Bis(isothiocyanato)(methoxy)(phenylimido)bis(triphenylphosphine)rhenium(V)","Acta Crystallographica Section C","1995","51","7","1284","1286","10.1107/S0108270195000564","","","0.71073","MoKα","","","0.032","","","0.036","","","","","1.305","1.305","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003675","9.841","0.002","9.841","","9.841","","81.33","0.02","81.33","","81.33","","923.37","0.19","295","","295","","","","","","","","Umsetzung von Urotropiniumiodid UrHI mit iodges\""attigter Acetonitrill\""osung","4","R 3 c :R","P 3* -2n","161","Urotropin-3-Diiod","1,3,5,7-Tetraazatricyclo[3.3.1.1^3,7^]decan-3-Diiod","","- C6 H12 I6 N4 -","- C6 H12 I6 N4 -","- C12 H24 I12 N8 -","2","0.333333","JZ1025","Tebbe, K.-F.; Nagel, K.","Urotropin-3-Diiod, Ur.3I~2~","Acta Crystallographica Section C","1995","51","7","1388","1390","10.1107/S0108270194015003","","","0.71069","MoKα","","0.0295","0.0262","","0.0705","0.069","","","","1.059","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003676","7.735","0.001","8.066","0.001","14.319","0.002","103.94","0.02","98.2","0.02","107.83","0.02","802.5","0.2","300","","","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N3 O2 -","- C21 H15 N3 O2 -","- C42 H30 N6 O4 -","2","1","JZ1027","Krieger, C.; Peraus, G.; Neugebauer, F. A.","Pair Stacking of 10-(4-Nitrophenyl)-5(10<i>H</i>)-phenazinyl Radicals","Acta Crystallographica Section C","1995","51","7","1420","1423","10.1107/S0108270195000941","","","0.71073","MoKα","","","0.033","","","0.035","","","","","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003677","15.685","0.007","25.364","0.009","7.579","0.004","90","","90","","90","","3015","2","143","","","","","","","","","","Ethanol","3","P c c n","-P 2ab 2ac","","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C144 H176 O16 -","8","1","KA1025","Yufit, D. S.; Struchkov, Yu. T.; Kozhushkov, S. I.; De Meijere, A.","Ethyl Pentaspiro[2.0.2.0.0.2.0.2.0.1]tetradeca-14-ylideneacetate, C~18~H~22~O~2~","Acta Crystallographica Section C","1995","51","7","1325","1327","10.1107/S0108270194013971","","","0.71073","MoKα","","","0.063","","","0.06","","","","","1.52","1.52","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003678","8.919","0.004","14.128","0.003","14.079","0.006","90","","104.58","0.05","90","","1716.9","1.2","243","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H34 F12 N6 O12 S4 -","- C16 H32 F12 N6 O12 S4 -","- C32 H64 F24 N12 O24 S8 -","2","0.5","KA1089","Thuéry, P.; Keller, N.; Lance, M.; Vigner, J.-D.; Nierlich, M.","(H~4~-Hexaaza-18-crown-6)^4+^.4CF~3~SO~3~^{-^} and its Hydrated Form","Acta Crystallographica Section C","1995","51","7","1407","1411","10.1107/S0108270194014241","","","0.71073","MoKα","","","0.058","","","0.06","","","","","2.09","2.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003679","8.984","0.005","31.147","0.012","13.357","0.003","90","","106.98","0.06","90","","3575","3","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 F12 N6 O13 S4 -","- C16 H32 F12 N6 O13 S4 -","- C64 H128 F48 N24 O52 S16 -","4","1","KA1089","Thuéry, P.; Keller, N.; Lance, M.; Vigner, J.-D.; Nierlich, M.","(H~4~-Hexaaza-18-crown-6)^4+^.4CF~3~SO~3~^{-^} and its Hydrated Form","Acta Crystallographica Section C","1995","51","7","1407","1411","10.1107/S0108270194014241","","","0.71073","MoKα","","","0.074","","","0.077","","","","","4.48","4.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003680","5.976","0.001","13.146","0.001","25.883","0.003","90","","93.84","0.01","90","","2028.8","0.4","213","1","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 O2 S -","- C24 H30 O2 S -","- C96 H120 O8 S4 -","4","1","KA1094","Kraus, G. A.; Su, Q.; Young, Jnr, V. G.","Construction of the Tetracyclic Skeleton of Leucothol A. 1,2,4a,5,6,7,8,9,10,10a,11,11a-Dodecahydro-11-hydroxy-11-methyl-7-phenylthiomethyl-5a<i>H</i>-5a,8-methanocyclohepta[<i>b</i>]naphthalen-10-one","Acta Crystallographica Section C","1995","51","7","1366","1368","10.1107/S0108270194014071","","","1.54178","CuKα","","0.046","0.0399","","0.1","0.0957","","","","1.044","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003681","19.158","0.003","19.029","0.003","6.377","0.002","90","","90","","90","","2324.8","0.9","296","","298","","","","","","","","crystallized from ethanol-water","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 O3 -","- C29 H32 O3 -","- C116 H128 O12 -","4","1","KA1098","Böcskei, Z.; Simon, K.; Ambrus, G.; Ilköy, E.","On the Isostructural Molecular Compound Formation of a Steroid with α- and β- Naphthols","Acta Crystallographica Section C","1995","51","7","1319","1322","10.1107/S0108270194013442","","","1.5418","CuKα","","","0.088","","","0.062","","","","","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003682","19.058","0.002","19.209","0.002","6.275","0.001","90","","90","","90","","2297.2","0.5","298","","298","","","","","","","","crystallized from ethanol-water","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 O3 -","- C29 H32 O3 -","- C116 H128 O12 -","4","1","KA1098","Böcskei, Z.; Simon, K.; Ambrus, G.; Ilköy, E.","On the Isostructural Molecular Compound Formation of a Steroid with α- and β- Naphthols","Acta Crystallographica Section C","1995","51","7","1319","1322","10.1107/S0108270194013442","","","1.5418","CuKα","","0.0831","0.0513","","0.052","0.0456","","","","","4.581","4.581","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003683","7.937","0.004","11.249","0.006","15.144","0.006","99.59","0.04","98","0.04","110.59","0.04","1219.1","1.1","295","2","295","2","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C28 H16 Cu N8 O S -","- C28 H16 Cu N8 O S -","- C56 H32 Cu2 N16 O2 S2 -","2","1","KA1099","Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Kabešová, M.; Jäger, L.","Isothiocyanatobis(1,10-phenanthroline)copper(II) Dicyanonitrosomethanide","Acta Crystallographica Section C","1995","51","7","1291","1293","10.1107/S0108270195001946","","","0.71073","MoKα","","0.1041","0.0506","","0.1318","0.1112","","","","1.024","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003684","8.082","0.002","3.954","0.001","16.103","0.003","90","","98.54","0.03","90","","508.9","0.2","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","0.5","KA1101","Janczak, J.","2-Aminoanthraquinone","Acta Crystallographica Section C","1995","51","7","1381","1382","10.1107/S0108270194014885","","","1.54184","CuKα","","","0.0616","","","0.0563","","","","","0.55","0.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003685","14.662","0.003","5.419","0.001","21.475","0.004","90","","101.66","0.03","90","","1671.1","0.6","289","2","289","2","","","","","","","grown from ethanol","4","P 1 21 1","P 2yb","4","","6-(3,5-Di-O-acetyl-β-D-2-deoxyribofuranosyl)-3,4-dihydro-8-H-pyrimido[4,5-c][1,2]oxazin-7-one","","- C15 H19 N3 O7 -","- C15 H19 N3 O7 -","- C60 H76 N12 O28 -","4","2","","Van Meervelt, Luc; Kong Thoo Lin, Paul; Brown, Daniel M.","6-(3,5-Di-O-acetyl-β-D-2-deoxyribofuranosyl)-3,4-dihydro-8-H-pyrimido[4,5-c][1,2]oxazin-7-one","Acta Crystallographica Section C","1995","51","7","1347","1350","10.1107/S0108270195000096","","","1.54184","CuKα","","0.1235","0.0692","","0.1726","0.1468","","","","1.073","1.313","1.313","","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"2003686","17.589","0.003","10.164","0.001","16.807","0.004","90","","84.16","0.01","90","","2989.1","0.9","213","2","213","2","","","","","","","[ReNCl~2~(Me~2~PhP)~3~] + HOSO~2~CF~3~","9","P 1 21/c 1","-P 2ybc","14","","chlorotris(dimethylphenylphosphine)nitrido(trifluoromethanesulfonato)rhenium(V)","","- C25 H33 Cl F3 N O3 P3 Re S -","- C25 H33 Cl F3 N O3 P3 Re S -","- C100 H132 Cl4 F12 N4 O12 P12 Re4 S4 -","4","1","KA1103","Abram, U.; Walker, I.","<i>mer</i>,<i>cis</i>-Chlorotris(dimethylphenylphosphine)nitrido(trifluoromethylsulfonato)rhenium(V)","Acta Crystallographica Section C","1995","51","7","1250","1251","10.1107/S0108270195000692","","","0.7093","MoKα","","0.0829","0.0513","","0.1469","0.1201","","","","1.097","1.046","1.046","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003687","12.584","0.003","3.894","0.001","6.955","0.001","90","","90","","90","","340.81","0.13","295","","","","","","","","","","see text","3","P m n 21","P 2ac -2","31","","","","- C8 H4 N2 -","- C8 H4 N2 -","- C16 H8 N4 -","2","0.5","KA1110","Janczak, J.; Kubiak, R.","1,2-Dicyanobenzene. A Precursor of Phthalocyanines","Acta Crystallographica Section C","1995","51","7","1399","1401","10.1107/S0108270195001387","","","0.71073","MoKα","","","0.0501","","","0.0614","","","","","0.61","0.61","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003688","14.788","0.004","7.47","0.002","24.188","0.004","90","","90","","90","","2672","1.1","293","2","293","2","","","","","","","recrystallized from benzene at room temperature","3","P b c a","-P 2ac 2ab","61","α-naphthoflavone","","","- C19 H12 O2 -","- C19 H12 O2 -","- C152 H96 O16 -","8","1","KA1111","Panneerselvam, K.; Soriano-García, M.","α-Naphthoflavone","Acta Crystallographica Section C","1995","51","7","1418","1420","10.1107/S0108270195000680","","","1.54178","CuKα","","0.05","0.0399","","0.1034","0.096","","","","1.112","1.142","1.142","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003689","15.347","0.007","17.493","0.005","15.0003","0.0008","102.8","0.03","116.77","0.03","79.94","0.03","3493","2","296","","","","","","","","","","","7","P -1","-P 1","2","","","","- C148 H130 Cl4 Co6 O P8 S8 -","- C148 H114 Cl6 Co6 O2 P10 S8 -","- C148 H114 Cl6 Co6 O2 P10 S8 -","1","0.5","KH1003","Jiang, F.; Huang, X.; Cao, R.; Hong, M.; Liu, H.","A Hexacobalt Sulfide Cluster Compound, [Co~6~(μ-S)~8~(PPh~3~)~6~].2PPh~3~.2C~2~H~4~Cl~2~.H~2~O","Acta Crystallographica Section C","1995","51","7","1275","1278","10.1107/S0108270194014873","","","0.71073","MoKα","","","0.058","","","0.069","","","","","1.4","1.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003690","14.611","0.002","5.423","0.006","12.191","0.002","90","","96.89","0.01","90","","959","1.1","297","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H9 N O -","- C11 H9 N O -","- C44 H36 N4 O4 -","4","1","KH1007","Suh, M. C.; Kim, S. N.; Lee, H. J.; Shim, S. C.; Suh, I.-H.; Lee, J.-H.; Park, J.-R.","6-(2-Pyridyl)-3,5-hexadiyn-1-ol","Acta Crystallographica Section C","1995","51","7","1416","1418","10.1107/S0108270195001089","","","0.71073","MoKα","","","0.0664","","","0.0633","","","","","2.713","2.713","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003691","6.4574","0.0012","11.1198","0.0024","6.2652","0.0011","90","","114.382","0.014","90","","409.75","0.14","291","2","","","","","","","","","Furneaux, Mason & Miller (1984), compound (9)","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 O4 -","- C10 H8 O4 -","- C20 H16 O8 -","2","0.5","KH1010","Gainsford, G. J.; Furneaux, R. H.; Mason, J. M.; Miller, I. J.","Adducts from the Pyrolysis of Cellulose: (1α,2β,6β,7α)-3,8-Dioxatricyclo[5.3.1.1^2,6^]dodeca-4,9-diene-11,12-dione and (1<i>R</i>)-(1α,2β,3α,6α,8β,9α)-5,13,14-Trioxatetracyclo[7.3.1.1^3,6^.0^2,8^]tetradec-10-ene-7,12-dione","Acta Crystallographica Section C","1995","51","7","1369","1372","10.1107/S0108270195000242","","","0.71073","MoKα","","","0.041","","","0.1","","","","","1.038","1.038","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003692","5.154","0.002","12.257","0.008","16.034","0.008","90","","90","","90","","1012.9","0.9","291","2","","","","","","","","","Furneaux, Mason & Miller (1984), compound (17)","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O5 -","- C11 H10 O5 -","- C44 H40 O20 -","4","1","KH1010","Gainsford, G. J.; Furneaux, R. H.; Mason, J. M.; Miller, I. J.","Adducts from the Pyrolysis of Cellulose: (1α,2β,6β,7α)-3,8-Dioxatricyclo[5.3.1.1^2,6^]dodeca-4,9-diene-11,12-dione and (1<i>R</i>)-(1α,2β,3α,6α,8β,9α)-5,13,14-Trioxatetracyclo[7.3.1.1^3,6^.0^2,8^]tetradec-10-ene-7,12-dione","Acta Crystallographica Section C","1995","51","7","1369","1372","10.1107/S0108270195000242","","","0.71069","MoKα","","","0.0461","","","0.0621","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003693","11.8054","0.001","5.0922","0.001","20.0693","0.0013","90","","90","","90","","1206.5","0.3","293","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 N O2 Se -","- C14 H9 N O2 Se -","- C56 H36 N4 O8 Se4 -","4","1","KH1013","Fong, M. C.; Gable, R. W.; Schiesser, C. H.","3-Phenyl-1,3(4<i>H</i>)-benzoselenazine-2,4(3<i>H</i>)-dione","Acta Crystallographica Section C","1995","51","7","1333","1335","10.1107/S0108270194014563","","","1.5418","CuKα","","","0.0333","","","0.0894","","","","","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003694","8.651","0.002","11.534","0.003","8.878","0.003","90","","93.6","0.02","90","","884.1","0.4","291","1","291","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-Oxybispyridine","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C40 H32 N8 O4 -","4","1","KH1016","Dunne, S. J.; von Nagy-Felsobuki, E. I.; Mackay, M. F.","2,2'-Oxybispyridine and 2,2'-Selenobispyridine","Acta Crystallographica Section C","1995","51","7","1454","1457","10.1107/S010827019500014X","","","1.5418","CopperKα","","","0.057","","","0.075","","","","","1.52","1.52","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003695","12.37","0.001","5.977","0.001","13.909","0.001","90","","113.1","0.01","90","","945.9","0.2","291","1","291","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,2'-Selenobispyridine","","- C10 H8 N2 Se -","- C10 H8 N2 Se -","- C40 H32 N8 Se4 -","4","1","KH1016","Dunne, S. J.; von Nagy-Felsobuki, E. I.; Mackay, M. F.","2,2'-Oxybispyridine and 2,2'-Selenobispyridine","Acta Crystallographica Section C","1995","51","7","1454","1457","10.1107/S010827019500014X","","","1.5418","CopperKα","","","0.041","","","0.056","","","","","3.71","3.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003696","8.531","0.002","9.406","0.001","9.759","0.002","75.92","0.01","78.44","0.02","68.71","0.01","702.3","0.2","293","","299","","","","","","","","","4","P -1","-P 1","2","","1,3,4,10b-tetrahydro-4-phenylpyrido[2,1-a]isoindole-2,6-dione","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","KH1018","Beckwith, A. L. J.; Joseph, S. P.; Mayadunne, R. T. A.; Willis, A. C.","1,3,4,10b-Tetrahydro-4-phenylpyrido[2,1-<i>a</i>]isoindole-2,6-dione","Acta Crystallographica Section C","1995","51","7","1438","1440","10.1107/S0108270195001132","","","1.5418","CuKα","","0.056","0.047","","0.072","0.069","","","","1.674","1.789","1.789","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003697","6.926","0.001","15.054","0.003","14.471","0.002","90","","99.94","0.01","90","","1486.2","0.4","293","2","293","2","","","","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","","N-3-methoxyphenyl-2-(5-methoxyindole)carboxamide","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","LI1132","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Caubère, C.; Caubère, P.","Conformation at the Amide N Atom of 1-Carboxamide Indole Derivatives","Acta Crystallographica Section C","1995","51","7","1341","1345","10.1107/S0108270195000837","","","1.54056","CuKα~1~","","0.0651","0.0375","","0.1096","0.0923","","","","0.921","0.968","0.968","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003698","11.311","0.008","10.22","0.007","6.586","0.001","79.59","0.02","79.2","0.04","78.86","0.03","725.5","0.7","293","2","293","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","","N-methyl-N-phenyl-2-(5-methoxyindole)carboxamide","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C34 H32 N4 O4 -","2","1","LI1132","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Caubère, C.; Caubère, P.","Conformation at the Amide N Atom of 1-Carboxamide Indole Derivatives","Acta Crystallographica Section C","1995","51","7","1341","1345","10.1107/S0108270195000837","","","0.71069","MoKα","","0.0964","0.0374","","0.0672","0.0594","","","","0.767","0.994","0.994","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003699","7.611","0.002","11.808","0.002","12.609","0.002","103.86","0.01","103.12","0.01","103.48","0.01","1020.7","0.4","294","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 Cl Mn N2 O10 -","- C17 H18 Cl Mn N2 O10 -","- C34 H36 Cl2 Mn2 N4 O20 -","2","1","MU1128","Tan, X.-S.; Chen, J.; Zheng, P.-J.; Tang, W.-X.","<i>trans</i>-Diaqua(bipyridyl)(salicylato)manganese(III) Perchlorate Monohydrate","Acta Crystallographica Section C","1995","51","7","1268","1269","10.1107/S0108270195000539","","","0.71073","MoKα","","","0.044","","","0.048","","","","","1.094","1.094","","","","","has coordinates","199741","2020-10-21","18:00:00",""
"2003700","10.235","0.005","10.249","0.008","11.81","0.003","86.88","0.04","80.46","0.03","66.59","0.06","1121.1","1.2","218","","","","","","","","","","evaporation from water","5","P -1","-P 1","2","","","","- C15 H37 Ge Na O8 -","- C15 H37 Ge Na O8 -","- C30 H74 Ge2 Na2 O16 -","2","1","MU1145","Chiang, H.-C.; Hwang, S.-F.; Ueng, C.-H.","Sodium Bis(2,3-dimethylbutane-2,3-diolato)hydroxogermanate(IV)‒Methanol (1/3)","Acta Crystallographica Section C","1995","51","7","1258","1260","10.1107/S0108270194013934","","","0.71073","MoKα","","","0.032","","","0.039","","","","","2.59","2.59","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2003701","11.119","0.006","16.062","0.003","12.027","0.004","90","","100.72","0.03","90","","2110.5","1.4","296","","","","","","","","","","Crystals were obtained by slow evaporation at room temperature of solutions in 50% ethanol","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Al N6 O6 -","- C18 H15 Al N6 O6 -","- C72 H60 Al4 N24 O24 -","4","1","MU1149","Okabe, N.; Tamaki, K.; Suga, T.; Kohyama, Y.","Aluminium Cupferronate, [Al(C~6~H~5~N~2~O~2~)~3~]","Acta Crystallographica Section C","1995","51","7","1295","1297","10.1107/S0108270195000102","","","0.71069","MoKα","","","0.076","","","0.067","","","","","1.65","1.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003702","14.985","0.006","17.375","0.006","16.437","0.006","90","","92.23","0.04","90","","4276","3","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 In K N6 O5 S4 -","- C34 H48 In K N6 O5 S4 -","- C136 H192 In4 K4 N24 O20 S16 -","4","1","MU1159","Carmalt, C. J.; Clegg, W.; Elsegood, M. R. J.; Kneisel, B. O.; Norman, N. C.","Two Anionic Indium(III)‒Thiocyanate Complexes with Potassium-Centred Complex Cations","Acta Crystallographica Section C","1995","51","7","1254","1258","10.1107/S0108270195000527","","","0.71073","MoKα","","0.0692","0.0472","","0.1313","0.1089","","","","1.067","1.048","1.048","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003703","8.941","0.002","9.682","0.002","13.113","0.003","87.25","0.03","72.33","0.02","89.05","0.02","1080.3","0.4","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H44 In K N8 O6 S4 -","- C36 H44 In K N8 O6 S4 -","- C36 H44 In K N8 O6 S4 -","1","0.5","MU1159","Carmalt, C. J.; Clegg, W.; Elsegood, M. R. J.; Kneisel, B. O.; Norman, N. C.","Two Anionic Indium(III)‒Thiocyanate Complexes with Potassium-Centred Complex Cations","Acta Crystallographica Section C","1995","51","7","1254","1258","10.1107/S0108270195000527","","","0.71073","MoKα","","0.0285","0.0207","","0.0674","0.0508","","","","1.06","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003704","11.069","0.002","14.426","0.003","16.561","0.004","81.64","0.02","105.19","0.02","94.05","0.02","2523.5","1","293","2","","","","","","","","","see text","5","P -1","-P 1","2","","","","- C59 H51 O4 P4 Rh -","- C59 H51 O4 P4 Rh -","- C118 H102 O8 P8 Rh2 -","2","1","MU1160","Smit, D. M. C.; Basson, S. S.; Roodt, A.; Steynberg, E. C.","Carbonyl-κ<i>C</i>-[tris(diphenylphosphinoyl)methanido-κ^2^<i>O</i>,<i>O</i>'][tris(<i>o</i>-tolyl)phosphine-κ<i>P</i>]rhodium(I), [Rh(C{P(O)Ph~2~}~3~)(CO){P(<i>o</i>-Tol)~3~}]","Acta Crystallographica Section C","1995","51","7","1278","1280","10.1107/S0108270195000515","","","1.5418","CuKα","","0.0359","0.0359","","0.0973","0.0973","","","","1.044","1.044","1.044","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003705","9.083","0.006","31.918","0.002","8.594","0.003","90","","93.1","0.2","90","","2487.9","1.9","293","","","","","","","","","","crystallization from the original solution","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 Cu9 N24 Se6 -","- C24 H48 Cu9 N24 Se6 -","- C48 H96 Cu18 N48 Se12 -","2","0.5","NA1103","Vrábel, V.; Kellö, E.; Garaj, J.; Lokaj, J.","Tris[bis(ethylenediamine)copper(II)] Poly[hexakis(μ-cyano)hexakis(μ-selenocyanato)hexacopper(I)], [Cu^II^en~2~]~3~[Cu^I^~6~(CN)~6~(SeCN)~6~]","Acta Crystallographica Section C","1995","51","7","1286","1288","10.1107/S0108270194014976","","","1.54178","CuKα","","","0.03","","","0.034","","","","","0.94","0.94","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003706","5.333","0.0004","5.633","0.0006","21.203","0.003","90","","90","","90","","636.95","0.12","293","","293","","","","","","","","Norwich Eaton Pharmaceuticals, Inc. (Norwich, New York)","4","P 21 21 21","P 2ac 2ab","19","","5-nitro-2-aldoxime","","- C5 H4 N2 O4 -","- C5 H4 N2 O4 -","- C20 H16 N8 O16 -","4","1","NA1116","Olszak, T. A.; Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","5-Nitrofuran-2-aldoxime","Acta Crystallographica Section C","1995","51","7","1304","1306","10.1107/S0108270194008425","","","0.71069","MoKα","","0.0371","0.0255","","0.0719","0.0685","","","","1.035","1.101","1.101","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003707","6.504","0.002","13.121","0.002","22.192","0.002","90","","92.37","0.02","90","","1892.2","0.7","295","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-3-etoxycarbonyl- 2-methyl-pyrrole","","- C20 H16 Cl3 N O2 -","- C20 H16 Cl3 N O2 -","- C80 H64 Cl12 N4 O8 -","4","1","NA1117","Bachechi, F.; Gavuzzo, E.; Cerreto, F.; Scalzo, M.","A 1,5-Diarylpyrrole Derivative","Acta Crystallographica Section C","1995","51","7","1431","1434","10.1107/S0108270195000734","","","1.54178","CuKα","","","0.048","","","0.064","","","","","2.36","2.36","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2003708","8.653","0.001","11.418","0.005","18.018","0.002","90","","90","","90","","1780.2","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3aRS,9aSR,9bSR)-Octahydro-1H-furo[3',4':4,5]isoxazolo[2,3-a] pyridin-1-one.","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C72 H104 N8 O24 -","8","1","NA1129","Alvarez-Larena, A.; Piniella, J. F.; Cid, P.; de March, P.; Figueredo, M.; Font, J.; Milán, S.; Soria, A.","Three Lactone Fused Perhydroisoxazolo[2,3-<i>a</i>]pyridines: a Conformational Study","Acta Crystallographica Section C","1995","51","7","1314","1319","10.1107/S0108270194013661","","","0.70926","MoKα","","0.0702","0.0378","","0.1182","0.0968","","","","1.075","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003709","6.765","0.003","8.93","0.002","16.166","0.005","90","","90","","90","","976.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aRS,10aRS,10bRS)-Octahydro-1H,3H-pyrano[3',4':4,5]isoxazolo[2,3-a]pyridin- 1-one.","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","NA1129","Alvarez-Larena, A.; Piniella, J. F.; Cid, P.; de March, P.; Figueredo, M.; Font, J.; Milán, S.; Soria, A.","Three Lactone Fused Perhydroisoxazolo[2,3-<i>a</i>]pyridines: a Conformational Study","Acta Crystallographica Section C","1995","51","7","1314","1319","10.1107/S0108270194013661","","","0.70926","MoKα","","0.0373","0.0281","","0.0779","0.0719","","","","1.088","1.089","1.089","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003710","6.0456","0.0007","16.735","0.003","10.786","0.002","90","","98.84","0.01","90","","1078.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(5aRS,11aRS,11bRS)-Decahydro-1H-oxepino[3',4':4,5]isoxazolo[2,3-a]pyridin-1-one","","- C11 H17 N O3 -","- C11 H17 N O3 -","- C44 H68 N4 O12 -","4","1","NA1129","Alvarez-Larena, A.; Piniella, J. F.; Cid, P.; de March, P.; Figueredo, M.; Font, J.; Milán, S.; Soria, A.","Three Lactone Fused Perhydroisoxazolo[2,3-<i>a</i>]pyridines: a Conformational Study","Acta Crystallographica Section C","1995","51","7","1314","1319","10.1107/S0108270194013661","","","0.70926","MoKα","","0.0538","0.0367","","0.1005","0.0879","","","","1.089","1.092","1.092","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003711","6.755","0.005","7.068","0.007","40.62","0.05","90","","90","","90","","1939","3","288","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O5 S -","- C19 H30 O5 S -","- C76 H120 O20 S4 -","4","1","NA1130","Adams, H.; Bailey, N. A.; Jones, D. N.; Aversa, M. C.; Bonaccorsi, P.; Giannetto, P.","An Enantiopure Isobornylsulfinylcyclohexene Derivative, C~19~H~30~O~5~S","Acta Crystallographica Section C","1995","51","7","1357","1359","10.1107/S0108270195000746","","","0.71073","MoKα","","","0.0766","","","0.0773","","","","","1.71","1.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003712","3.851","0.001","15.077","0.002","9.99","0.002","90","","95.2","0.1","90","","577.6","0.2","295","2","","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Br2 Cl2 Cu N4 -","- C6 H6 Br2 Cl2 Cu N4 -","- C12 H12 Br4 Cl4 Cu2 N8 -","2","0.5","NA1136","Valle, G.; Ettorre, R.; Peruzzo, V.","Bis(4-bromopyrazole)dichlorocopper(II)","Acta Crystallographica Section C","1995","51","7","1293","1295","10.1107/S0108270195000163","","","0.71073","MoKα","","","0.048","","","0.048","","","","","0.71","0.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003713","9.973","0.001","17.101","0.002","25.496","0.003","90","","90","","90","","4348.3","0.8","293","","293","","","","","","","","Janssen Research Foundation, Beerse, Belgium","5","P c a b","-P 2bc 2ac","61","","4-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)- 1-methylpiperidinium hydrogen malate","","- C23 H27 N O5 S -","- C27 H32 N O10 S -","- C216 H256 N8 O80 S8 -","8","1","NA1139","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","4-(9,10-Dihydro-4<i>H</i>-benzo[4,5]cyclohepta[1,2-<i>b</i>]thien-4-ylidene)-1-methylpiperidinium Hydrogen Malate","Acta Crystallographica Section C","1995","51","7","1435","1438","10.1107/S0108270194015088","","","1.54184","CuKα","","0.1952","0.0561","","0.1411","0.0909","","","","1.136","1.415","1.415","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003714","30.328","0.003","15.279","0.002","12.499","0.004","90","","90","","90","","5792","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-butyl-2-methyl-3-[[3-(methoxycarbonyl)thien-2-yl]methyl]- -5-[[2'-(1H-tetrazol-5-yl)]][1,1'-biphenyl)-4-yl]methyl]pyrimidin-4(3H)-one","","- C30 H30 N6 O3 S -","- C30 H30 N6 O3 S -","- C240 H240 N48 O24 S8 -","8","1","NA1145","Destro, R.; Soave, R.","A New Non-Peptide Angiotensin II Receptor Antagonist","Acta Crystallographica Section C","1995","51","7","1383","1385","10.1107/S0108270195000722","","","0.71073","MoKα","","0.2153","0.0777","","0.153","0.1281","","","","0.903","1.279","1.279","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003715","12.044","0.007","12.461","0.007","13.73","0.008","104.33","0.03","94.47","0.03","101","0.03","1943","2","293","","293","","","","","","","","synth\`ese","5","P -1","-P 1","2","","1,7-diéthoxycarbonyl-3a-méthyl-4a-phényl- 3,5-diparanitrophényl-3a,4,4a,5-tétrahydro-3H-bis[1,2,4] triazolo[4,3-a:3',4'-d][1,5]benzodiazépine","","- C37 H33 Cl3 N8 O8 -","- C37 H33 Cl3 N8 O8 -","- C74 H66 Cl6 N16 O16 -","2","1","PA1151","Chiaroni, A.; Riche, C.; Baouid, A.; Hasnaoui, A.; Benharref, A.; Lavergne, J.-P.","1,7-Bis(éthoxycarbonyl)-3a-méthyl-4a-phényl-3,5-bis(<i>p</i>-nitrophényl)-3a,4,4a,5-tétrahydro-3<i>H</i>-bis-[1,2,4]triazolo[4,3-<i>a</i>:3',4'-<i>d</i>][1,5]benzodiazépine, C~36~H~32~N~8~O~8~.CHCl~3~","Acta Crystallographica Section C","1995","51","7","1352","1355","10.1107/S0108270194014113","","","0.7107","MoKα","","","0.088","","","0.111","","","","","1.34","1.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003716","9.891","0.002","6.492","0.001","14.84","0.002","90","","90","","90","","952.9","0.3","293","","","","","","","","","","produit Aldrich, recristallis\'e en refroidissant \`a 253 K","4","P b c a","-P 2ac 2ab","61","","","","- C3 H5 N3 O2 -","- C3 H5 N3 O2 -","- C24 H40 N24 O16 -","8","1","PA1153","Tenon, J. A.; Carles, M.; Aycard, J.-P.","4-Méthyl-1,2,4-triazolidine-3,5-dione (Méthylurazole)","Acta Crystallographica Section C","1995","51","7","1440","1442","10.1107/S0108270195000199","","","0.71073","MoKα","","","0.051","","","0.051","","","","","1.01","1.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003717","7.244","0.005","14.863","0.008","27.308","0.012","90","","90","","90","","2940","3","293","","293","","","","","","","","from chemical synthesis","5","P 21 21 21","P 2ac 2ab","19","","4-benzyl-6-methoxy-3-propylsulfonyl-2-(2,2,2',2'-tetramethyl-[4,4'] bi{[1,3]dioxolanyl}-5-yl)-1-aza-bicyclo[3.2.0]heptane-7-one","","- C27 H39 N O8 S -","- C30 H46 N O8 S -","- C120 H184 N4 O32 S4 -","4","1","PA1154","Chiaroni, A.; Riche, C.; Adonias, M.; Anaya, J.; Géro, S. D.; Tachdjian, C.","Two Methyl-Substituted Carbapenem Antibiotic Precursors","Acta Crystallographica Section C","1995","51","7","1306","1310","10.1107/S0108270194014423","","","1.5418","CuKα","","","0.068","","","0.093","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003718","10.136","0.006","10.136","0.006","25.026","0.012","90","","90","","90","","2571","2","293","","293","","","","","","","","from chemical synthesis","5","P 41","P 4w","76","","3-ethylsulfuryl-4-furan-2-yl-methyl-6-methoxy-2- (2,2,2',2'-tetramethyl-[4,4']bi[[1,3] dioxolanyl]-5-yl) -1-aza-bicyclo[3.2.0] heptane-7-one","","- C24 H35 N O7 S -","- C26 H40 N O7 S -","- C104 H160 N4 O28 S4 -","4","1","PA1154","Chiaroni, A.; Riche, C.; Adonias, M.; Anaya, J.; Géro, S. D.; Tachdjian, C.","Two Methyl-Substituted Carbapenem Antibiotic Precursors","Acta Crystallographica Section C","1995","51","7","1306","1310","10.1107/S0108270194014423","","","1.5418","CuKα","","","0.048","","","0.052","","","","","0.61","0.61","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003719","7.304","0.001","15.437","0.003","10.65","0.004","90","","109.47","0.01","90","","1132.1","0.5","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Carnidazole","O-Methyl[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]thiocarbamate","","- C8 H12 N4 O3 S -","- C8 H12 N4 O3 S -","- C32 H48 N16 O12 S4 -","4","1","PA1156","Bernardinelli, G.; Berclaz, T.; Geoffroy, M.; Rajalakshmi, N.","Anhydrous Form of Carnidazole, C~8~H~12~N~4~O~3~S","Acta Crystallographica Section C","1995","51","7","1390","1392","10.1107/S0108270195000217","","","0.7093","MoKα","","0.138","0.067","","0.056","0.032","","","","3.06","2","2","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003720","9.8098","0.0005","16.5788","0.001","19.1759","0.0008","90","","90","","90","","3118.7","0.3","293","2","293","2","","","","","","","Laboratory of Medicinal Chemistry, Li\`ege","3","P c a b","-P 2bc 2ac","61","","11-(4-methylpiperazin-1-yl)-5H-pyrido[4,3-b][1,5]benzodiazepine","","- C17 H19 N5 -","- C17 H19 N5 -","- C136 H152 N40 -","8","1","PA1158","Dupont, L.; Liégeois, J.-F.; Rogister, F.; Delarge, J.","11-(4-Methylpiperazin-1-yl)-5<i>H</i>-pyrido[4,3-<i>b</i>][1,5]benzodiazepine","Acta Crystallographica Section C","1995","51","7","1379","1381","10.1107/S0108270194014459","","","1.5418","CuKα","","0.0534","0.037","","0.1154","0.1027","","","","1.095","1.224","1.224","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003721","15.749","0.004","14.283","0.006","19.01","0.005","90","","90.35","0.02","90","","4276","2","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 F6 O21 S2 U -","- C30 H40 F6 O21 S2 U -","- C120 H160 F24 O84 S8 U4 -","4","1","PA1160","Thuéry, P.; Nierlich, M.; Keller, N.; Lance, M.; Vigner, J.-D.","A Complex Between Uranyl Trifluoromethanesulfonate Hydrate and Benzo-15-crown-5","Acta Crystallographica Section C","1995","51","7","1300","1302","10.1107/S0108270195000138","","","0.71073","MoKα","","","0.04","","","0.05","","","","","2.02","2.02","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003722","4.842","0.002","16.848","0.004","13.489","0.003","90","","90.56","0.02","90","","1100.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","methyl 3,5-nitro-trans-cinnamate","","","- C10 H8 N2 O6 -","- C10 H8 N2 O6 -","- C40 H32 N8 O24 -","4","1","SE1059","Sharma, C. V. K.; Panneerselvam, K.; Desiraju, G. R.; Pilati, T.","Methyl 3,5-Dinitro-<i>trans</i>-cinnamate","Acta Crystallographica Section C","1995","51","7","1364","1366","10.1107/S010827019500237X","","","0.71069","MoKα","","0.0938","0.0476","","0.1295","0.1175","","","","0.998","1.228","1.228","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003723","5.743","0.001","13.036","0.002","8.431","0.003","90","","103.66","0.02","90","","613.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","DL-Glutamic acid","","- C5 H9 N O4 -","- C5 H9 N O4 -","- C20 H36 N4 O16 -","4","1","SE1069","Dunitz, J. D.; Schweizer, W. B.","Anhydrous <small>DL</small>-Glutamic Acid","Acta Crystallographica Section C","1995","51","7","1377","1379","10.1107/S0108270195001648","","","0.71069","MoKα","","0.1022","0.038","","0.1563","0.1132","","","","1.22","1.195","1.195","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003724","43.851","0.008","9.588","0.001","8.788","0.002","90","","90","","90","","3694.9","1.1","299","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","sodium cyclododecanephosphonic acid monoethylester trihydrate","","- C14 H34 Na O6 P -","- C14 H34 Na O6 P -","- C112 H272 Na8 O48 P8 -","8","1","SE1077","Rudert, R.; Czichocki, G.; Weiland, B.; Vollhardt, D.","Sodium Cyclododecylphosphonic Acid Monoethyl Ester Trihydrate","Acta Crystallographica Section C","1995","51","7","1252","1254","10.1107/S0108270195000412","","","1.54184","CuKα","","","0.06","","","0.069","","","","","2.518","2.518","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003725","18.959","0.003","13.339","0.003","19.684","0.002","90","","90","","90","","4978","1.5","297","","","","","","","","","","Acetone","3","P b c a","-P 2ac 2ab","61","","","","- C16 H10 O3 -","- C16 H10 O3 -","- C256 H160 O48 -","16","2","TA1003","Yoon, M.; Kim, Y. H.; Cho, D. W.; Suh, I.-H.; Lee, J.-H.; Ryu, B.-Y.; Park, J.-R.","2,3-Diphenylmaleic Anhydride, an Analogue of <i>cis</i>-Stilbene","Acta Crystallographica Section C","1995","51","7","1374","1377","10.1107/S0108270194013892","","","0.71069","MoKα","","","0.0657","","","0.0657","","","","","3.0897","3.0897","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003726","7.572","0.001","13.25","0.002","17.376","0.002","90","","90","","90","","1743.3","0.4","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","VJ1011","Bidyasagar, M.; Ravikumar, K.; Rama Rao, A. V.; Sarma, B. V. N. B. S.; Singh, A. K.","Structural Studies of Intermediates in the Synthesis of Mifepristone (RU 486). III. 3,3-Ethylenedioxy-5(10),9(11)-estradien-17-one","Acta Crystallographica Section C","1995","51","7","1327","1330","10.1107/S010827019401468X","","","0.71069","MoKα","","","0.041","","","0.049","","","","","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003727","5.083","0.002","15.551","0.006","13.647","0.005","90","","98.94","0.03","90","","1065.6","0.7","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","AB1059","Pomés Hernández, R.; Duque Rodriguez, J.; Villena Rodriguez, R.; Soriano Garcia, M.","Two Cyanacrylamides","Acta Crystallographica Section C","1995","51","8","1575","1577","10.1107/S0108270194000442","","","1.5406","CuKα","","","0.045","","","0.057","","","","","3.16","3.16","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003728","9.876","0.003","10.325","0.004","3.87","0.008","93.86","0.02","97.61","0.02","103.52","0.03","378.3","0.8","293","","","","","","","","","","Recrystallized from ethanol","4","P -1","-P 1","2","","","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C16 H12 N4 O4 -","2","1","AB1059","Pomés Hernández, R.; Duque Rodriguez, J.; Villena Rodriguez, R.; Soriano Garcia, M.","Two Cyanacrylamides","Acta Crystallographica Section C","1995","51","8","1575","1577","10.1107/S0108270194000442","","","1.5406","CuKα","","","0.064","","","0.067","","","","","1.19","1.19","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003729","7.08","0.002","14.245","0.001","12.072","0.003","90","","95.86","0.02","90","","1211.2","0.5","294","","","","","","","","","","recrystallization from methanol","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 Cl N4 O -","- C13 H9 Cl N4 O -","- C52 H36 Cl4 N16 O4 -","4","1","AB1133","Wang, X.; Wang, W.; Liu, H.-X.; Tan, M.-Y.; Li, M.","A Derivative of 1,3,4-Oxadiazole","Acta Crystallographica Section C","1995","51","8","1585","1587","10.1107/S010827019400510X","","","1.5418","CuKα","","","0.052","","","0.068","","","","","1.88","1.88","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003730","14.3658","0.0012","11.0537","0.0006","19.3767","0.0007","90","","128.707","0.005","90","","2401.1","0.3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[C,O-(2-acetylbicyclohept[2.2.1]-3-yl)palladium(II)(2,2'-bipyridyl)] trifluoromethanesulfonate 0.5 diethylether solvate","","- C44 H52 F6 N4 O9 Pd2 S2 -","- C22 H26 F3 N2 O4.5 Pd S -","- C88 H104 F12 N8 O18 Pd4 S4 -","4","1","AB1183","Spek, A. L.; Markies, B. A.; Kruis, D.; Boersma, J.; van Koten, G.","(2-Acetylbicyclo[2.2.1]heptyl-<i>C</i>^3^,<i>O</i>)(2,2'-bipyridyl)palladium(II) Trifluoromethanesulfonate 0.5-Diethyl Ether Solvate","Acta Crystallographica Section C","1995","51","8","1535","1537","10.1107/S0108270194004245","","","0.71073","MoKα","","","0.037","","","0.043","","","","","1.4","1.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003731","8.14","0.002","9.672","0.003","27.079","0.004","90","","94.26","0.02","90","","2126","0.9","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 N2 O14 Zn2 -","- C15 H14 N2 O14 Zn2 -","- C60 H56 N8 O56 Zn8 -","4","1","AB1187","Hernandez-Padilla, M.; Dominguez, S.; Mederos, A.; Arrieta, J. M.","Tetraaqua(3,4-toluenediamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraacetato)dizinc(II)‒Water (1/2)","Acta Crystallographica Section C","1995","51","8","1549","1552","10.1107/S0108270195000758","","","0.71069","MoKα","","","0.0526","","","0.0571","","","","","1.31","1.31","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003732","9.776","0.002","10.74","0.002","15.135","0.003","71.69","0.02","87.93","0.02","63.48","0.02","1339.7","0.6","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br4 Cd N4 O4 -","- C22 H18 Br4 Cd N4 O4 -","- C44 H36 Br8 Cd2 N8 O8 -","2","1","AB1188","Ravikumar, K.; Venkata Lakshmi, N.; Swamy, G. Y. S. K.; Chandra Mohan, K.","Water-Bridged Molecular Adduct of Tetrabromocadmate(II) with Protonated Dafone (4,5-Diazafluoren-9-one), (C~11~H~7~N~2~O)~2~[CdBr~4~].2H~2~O","Acta Crystallographica Section C","1995","51","8","1556","1558","10.1107/S0108270194013867","","","0.71073","MoKα","","","0.034","","","0.039","","","","","0.913","0.913","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003733","8.234","0.004","7.678","0.005","15.345","0.008","90","","99.94","0.04","90","","955.6","0.9","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-methyl-1-phenyl-4-nitroimidazole","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","AB1197","Kowalski, A.","2-Methyl-4-nitro-1-phenylimidazole and 2-Methyl-1-(<i>p</i>-methylphenyl)-4-nitroimidazole","Acta Crystallographica Section C","1995","51","8","1670","1672","10.1107/S0108270195001831","","","1.54178","CuKα","","0.0567","0.0364","","0.1214","0.1021","","","","1.069","1.188","1.188","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003734","8.259","0.002","7.805","0.002","16.774","0.003","90","","103.58","0.03","90","","1051","0.4","293","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methyl-1-(p-methylphenyl)-4-nitroimidazole","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","1","AB1197","Kowalski, A.","2-Methyl-4-nitro-1-phenylimidazole and 2-Methyl-1-(<i>p</i>-methylphenyl)-4-nitroimidazole","Acta Crystallographica Section C","1995","51","8","1670","1672","10.1107/S0108270195001831","","","1.54178","CuKα","","0.1029","0.0466","","0.164","0.1369","","","","1.042","1.266","1.266","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003735","12.328","0.004","8.596","0.004","13.294","0.005","90","","97.21","0.03","90","","1397.6","1","295","","","","","","","","","","see text","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H14 N2 O8 S U -","- C9 N2 O8 S U -","- C36 N8 O32 S4 U4 -","4","1","AB1210","Thuéry, P.; Keller, N.; Lance, M.; Vigner, J.-D.; Nierlich, M.","Bis(<i>N</i>,<i>N</i>-dimethylformamide)(μ-sulfato)dioxouranium(VI)","Acta Crystallographica Section C","1995","51","8","1526","1529","10.1107/S0108270194014411","","","0.71073","MoKα","","","0.035","","","0.043","","","","","1.2","1.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003736","5.2983","0.0006","9.2529","0.0008","11.261","0.002","90","","101.85","0.014","90","","540.3","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","disilver-cis-butene-dicarboxylate","","- C4 H2 Ag2 O4 -","- C4 H2 Ag2 O4 -","- C16 H8 Ag8 O16 -","4","1","AB1232","Eriksson, L.; Kritikos, M.","Disilver <i>cis</i>-Butenedioate","Acta Crystallographica Section C","1995","51","8","1508","1510","10.1107/S0108270195000606","","","0.7106","MoKα","","0.0395","0.0234","","0.0543","0.0493","","","","1.055","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003737","10.471","0.005","16.433","0.005","11.426","0.004","90","","92.67","0.03","90","","1963.9","1.3","293","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl2 Si Zr -","- C20 H26 Cl2 Si Zr -","- C80 H104 Cl8 Si4 Zr4 -","4","1","AB1236","Luttikhedde, H. J. G.; Leino, R. P.; Näsman, J. H.; Ahlgrén, M.; Pakkanen, T.","Racemic Dichloro{(<i>R</i>,<i>R</i>)-3,3'-(dimethylsilanediyl)bis[(1,2,3,3a,7a-η)-4,5,6,7-tetrahydro-1-indenyl]}zirconium","Acta Crystallographica Section C","1995","51","8","1488","1490","10.1107/S0108270195000266","","","0.71073","MoKα","","","0.047","","","0.05","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003738","9.539","0.002","9.684","0.001","10.218","0.001","90","","106.26","0.01","90","","906.1","0.2","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 N8 Ni2 S4 -","- C8 H12 N8 Ni2 S4 -","- C16 H24 N16 Ni4 S8 -","2","0.5","AB1237","Zhu, Y.; Lu, S.; Huang, X.; Wu, Q.; Yu, R.; Huang, J.","A Novel Nickel-Containing Chain-Like Polymer: [{Ni(NH~3~)~4~}Ni{S~2~C= C(CN)~2~}~2~]~{∞~}","Acta Crystallographica Section C","1995","51","8","1515","1517","10.1107/S010827019500182X","","","0.71073","MoKα","","","0.043","","","0.053","","","","","1.28","1.28","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003739","5.502","0.005","7.036","0.007","27.688","0.024","90","","93.57","0.07","90","","1069.8","1.7","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Z-ethyl 2-cyano-3-methylsulfinyl-3-methylthio propenoate","","- C8 H11 N O3 S2 -","- C8 H11 N O3 S2 -","- C32 H44 N4 O12 S8 -","4","1","AB1239","Singh, S. K.; Kumar, N.; Kumar, A.; Bisht, K. S.; Parmar, V. S.; Errington, W.","(<i>Z</i>)-Ethyl 2-Cyano-3-methylsulfinyl-3-methylthiopropenoate","Acta Crystallographica Section C","1995","51","8","1630","1632","10.1107/S0108270195002538","","","0.71073","MoKα","","0.0582","0.0398","","0.1062","0.0937","","","","1.031","1.057","1.057","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003740","12.43","0.003","7.601","0.002","15.219","0.005","90","","108.1","0.04","90","","1366.7","0.7","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaqua-[2-ethylphenyl(N-carboxymethyl)glycinato-O,O',N]copper(II)","","- C12 H17 Cu N O6 -","- C12 H17 Cu N O6 -","- C48 H68 Cu4 N4 O24 -","4","1","AB1241","Hidalgo, M. A.; Romero, J.; Suárez-Varela, J.; Avila-Rosón, J. C.; Martín-Ramos, J. D.","Diaqua[<i>N</i>-(2-ethylphenyl)-<i>N</i>-(carboxymethyl)glycinato-<i>N</i>,<i>O</i>,<i>O</i>'']copper(II)","Acta Crystallographica Section C","1995","51","8","1512","1514","10.1107/S0108270195002009","","","0.71069","MoKα","","0.0333","0.0315","","0.0391","0.0385","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003741","9.9342","0.0008","13.0495","0.0013","15.3141","0.0014","96.612","0.0009","102.291","0.001","105.039","0.008","1842.5","0.3","291","1","293","","","","","","","","synthesised by the authors","9","P -1","-P 1","2","","closo-[(3-tert-Butylisocyanide)-3,8-bis(dimethylphenylphosphine)- octahydro-1,2-diarsenanonaborato(1-)-3-palladium(II)(1+)] Hexafluoroantimonate","","- C21 H39 As2 B9 F6 N P2 Pd Sb -","- C21 H39 As2 B9 F6 N P2 Pd Sb -","- C42 H78 As4 B18 F12 N2 P4 Pd2 Sb2 -","2","1","AB1248","Ferguson, G.; Li, Y.; Spalding, T. R.; Patterson, J. C.","(3-<i>tert</i>-Butyl isocyanide)-3,8-bis(dimethylphenylphosphine)octahydro-1,2-diarsa-3-pallada-<i>closo</i>-dodecaboron(1+) Hexafluoroantimonate","Acta Crystallographica Section C","1995","51","8","1498","1500","10.1107/S0108270195002198","","","0.7107","MolybdenumKα","","0.0899","0.043","","0.1176","0.1071","","","","1.026","1.216","1.216","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003742","5.824","0.006","23.038","0.003","10.589","0.005","90","","103.59","0.05","90","","1381","1.6","293.2","","293.2","","","","","","","","synthesized by authors","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 O4 S2 -","- C13 H12 O4 S2 -","- C52 H48 O16 S8 -","4","1","AB1250","Glidewell, C.; Lightfoot, P.; Patterson, I. L. J.","Bis(phenylsulfonyl)methane, (PhSO~2~)~2~CH~2~, and Dibromobis(phenylsulfonyl)methane, (PhSO~2~)~2~CBr~2~","Acta Crystallographica Section C","1995","51","8","1648","1651","10.1107/S0108270195002095","","","0.7107","MoKα","","","0.033","","","0.045","","","","","1.95","1.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003743","8.215","0.001","10.234","0.001","18.589","0.001","90","","93.72","0.01","90","","1559.5","0.3","293.2","","293.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Br2 O4 S2 -","- C13 H10 Br2 O4 S2 -","- C52 H40 Br8 O16 S8 -","4","1","AB1250","Glidewell, C.; Lightfoot, P.; Patterson, I. L. J.","Bis(phenylsulfonyl)methane, (PhSO~2~)~2~CH~2~, and Dibromobis(phenylsulfonyl)methane, (PhSO~2~)~2~CBr~2~","Acta Crystallographica Section C","1995","51","8","1648","1651","10.1107/S0108270195002095","","","0.7107","MoKα","","","0.029","","","0.03","","","","","2.86","2.86","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003744","12.759","0.001","10.027","0.001","14","0.001","90","","90","","90","","1791.1","0.3","293","1","293","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-Imino-1,4,4-triphenylimidazolidin-2-one","","- C21 H17 N3 O -","- C21 H17 N3 O -","- C84 H68 N12 O4 -","4","1","AB1252","Kopf, J.; Heuer, J. R. P.; Schweim, H. G.","5-Imino-1,4,4-triphenylimidazolidin-2-one: an Imidazolidine with an Exocyclic Imino Group","Acta Crystallographica Section C","1995","51","8","1583","1585","10.1107/S0108270195002630","","","1.54178","CuKα","","0.033","0.0328","","0.0924","0.0919","","","","1.033","1.031","1.031","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003745","8.2971","0.0011","10.0909","0.0013","13.863","0.004","78.33","0.014","86.203","0.014","87.326","0.008","1133.5","0.4","293","","294","","","","","","","","synthesized by the authors","7","P -1","-P 1","2","","Di-μ-bromo-3:3'κ^4^Br-bis[μ-(2-phenyl-3-phenylamino-3-sulfido-2-azonia prop-2-en-1-yl-3κS:8κC^1^)-1,2-dicarba-3-rhodadodecaborane].","","- C32 H46 B18 Br2 N4 Rh2 S2 -","- C32 H46 B18 Br2 N4 Rh2 S2 -","- C32 H46 B18 Br2 N4 Rh2 S2 -","1","0.5","AB1253","Ferguson, G.; Spalding, T. R.; McEneaney, P. A.","Di-μ-bromo-3:3'κ^4^<i>Br</i>-bis[μ-(2-phenyl-3-phenylamino-3-sulfido-2-azoniaprop-2-en-1-yl-3κ<i>S</i>:8κ<i>C</i>^1^)-1,2-dicarba-3-rhoda-<i>closo</i>-dodecaborane], a Novel Dimeric Metallacarborane Containing a Rh~2~Br~2~ Bridging Section and the {‒SC(NHPh)‒N(Ph)CH~2~‒} Ligand","Acta Crystallographica Section C","1995","51","8","1501","1503","10.1107/S0108270195002101","","","0.7107","MolybdenumKα","","0.06","0.027","","0.038","0.033","","","","","0.97","0.97","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003746","78.98","0.04","5.836","0.003","43.68","0.02","90","","96.89","0.03","90","","19988","17","170","","","","","","","","","","GE speciality chemicals","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H50 O6 P2 -","- C33 H50 O6 P2 -","- C792 H1200 O144 P48 -","24","3","AS1091","Barren, J. P.; Bryant, G. L.; Garbauskas, M. F.; Mahood, J. A.","Bis(2,4-di-<i>tert</i>-butylphenyl) Pentaerythritol Diphosphite","Acta Crystallographica Section C","1995","51","8","1636","1639","10.1107/S0108270195000965","","","1.54178","CuKα","","0.0553","0.0423","","0.1185","0.1099","","","","","1.185","1.185","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003747","13.3863","0.0009","13.5141","0.0007","24.227","0.002","90","","90","","90","","4382.8","0.5","298","3","","","","","","","","","","6","C c m 21","C 2c -2c","36","","","","- C12 H32 Cl2 N6 Ni O8 -","- C12 H32 Cl2 N6 Ni O8 -","- C96 H256 Cl16 N48 Ni8 O64 -","8","1","AS1130","Tahirov, T. H.; Lu, T.-H.; Lan, W.-J.; Lai, C.-Y.; Chi, T.-Y.; Chung, C.-S.","(Ethylenediamine-<i>N</i>,<i>N</i>')(1,4,7,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) Diperchlorate","Acta Crystallographica Section C","1995","51","8","1531","1533","10.1107/S0108270195001223","","","0.71073","MoKα","","","0.045","","","0.064","","","","","1.4","1.4","","","","","has coordinates","190662","2020-10-21","18:00:00",""
"2003748","8.582","0.003","9.702","0.002","15.004","0.004","93.75","0.02","98","0.03","114.38","0.02","1116.3","0.6","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H9 N5 O11 S4 -","- C16 H9 N5 O11 S4 -","- C32 H18 N10 O22 S8 -","2","1","AS1133","Yu, W.-T.; Fang, Q.; Xu, D.; Jiang, M.-H.; Lei, H.","4,5-Bis(2,4-dinitrophenylthio)-1,3-dithiol-2-one Nitromethane Solvate (BNPT-DTO.CH~3~NO~2~)","Acta Crystallographica Section C","1995","51","8","1602","1604","10.1107/S0108270195001429","","","0.71073","MoKα","","","0.0466","","","0.0466","","","","","0.973","0.973","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003749","8.153","0.001","8.482","0.001","20.638","0.002","90","","92.45","0.01","90","","1425.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Cyclohexyl-3(2-tolyl)thiourea","","- C14 H20 N2 S -","- C14 H20 N2 S -","- C56 H80 N8 S4 -","4","1","AS1160","Akilan, R.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","1-Cyclohexyl-3-(2-tolyl)thiourea","Acta Crystallographica Section C","1995","51","8","1627","1629","10.1107/S0108270195001211","","","0.71073","MoKα","","0.0571","0.0383","","0.1145","0.1065","","","","0.95","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003750","7.996","0.003","20.077","0.002","7.733","0.002","90","","90","","90","","1241.4","0.6","269","","","","","","","","","","Crystallised from methanol solution","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 I N O4 -","- C10 H14 I N O4 -","- C40 H56 I4 N4 O16 -","4","1","AS1168","Okabe, N.; Suga, T.","3-Iodo-<small>L</small>-tyrosine Methanol Solvate (1/1)","Acta Crystallographica Section C","1995","51","8","1700","1701","10.1107/S010827019500271X","","","0.71069","MoKα","","","0.027","","","0.036","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003751","14.212","0.003","17.39","0.004","14.84","0.001","90","","96.1","0.01","90","","3646.9","1.2","193","","","","","","","","","","THF/heptane","6","P 1 21/a 1","-P 2yab","","","","","- C46 H28 F3 Fe N4 O2 -","- C46.57 H28 F1.71 Fe N4 O3 -","- C186.28 H112 F6.84 Fe4 N16 O12 -","4","1","BK0001","Moy, S. A.; González, J. A.; Wilson, L. J.","Molecular Stereochemistry of [Fe^III^(TPP)(OCOCF~3~)]","Acta Crystallographica Section C","1995","51","8","1490","1494","10.1107/S010827019401334X","","","0.71073","MoKα","","","0.064","","","0.083","","","","","1.95","1.95","","","","","has coordinates","192016","2020-10-21","18:00:00",""
"2003752","7.609","0.002","7.587","0.002","9.414","0.002","90","","105.24","0.03","90","","524.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-Methylimidazolium D-Tartrate","1-Methylimidazolium D-Tartrate","","- C8 H12 N2 O6 -","- C8 H12 N2 O6 -","- C16 H24 N4 O12 -","2","1","BK1056","Fuller, J.","The Influence of Hydrogen Bonding on the Structure of 1-Methylimidazolium <small>D</small>-Tartrate","Acta Crystallographica Section C","1995","51","8","1680","1683","10.1107/S0108270195002514","","","0.71073","MoKα","","0.0584","0.0435","","0.1245","0.1095","","","","1.07","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003753","10.259","0.003","12.016","0.004","8.42","0.003","93.23","0.03","96.52","0.03","78.22","0.02","1008.9","0.6","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H64 Ni P2 S2 -","- C36 Ni P2 S2 -","- C36 Ni P2 S2 -","1","0.5","BK1083","Cao, R.; Jiang, F.; Hong, M.; Li, H.; Liu, H.","Bis(phenylthiolato-<i>S</i>)bis(tri-<i>n</i>-butylphosphine-<i>P</i>)nickel(II), [Ni(SPh)~2~(P^<i>n^</i>Bu~3~)~2~]","Acta Crystallographica Section C","1995","51","8","1552","1554","10.1107/S0108270194014940","","","0.71073","MoKα","","","0.05","","","0.063","","","","","1.55","1.55","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003754","13.401","0.002","13.5794","0.001","8.695","0.001","90","0.01","90","0.01","90","0.01","1582.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","exo-2-(eta-6-Hexamethylbenzene)-endo-2-chloro-2-ruthena-arachno-tetraborane","","- C12 H26 B3 Cl Ru -","- C12 H26 B3 Cl Ru -","- C48 H104 B12 Cl4 Ru4 -","4","1","BK1106","Bown, M.; Ingham, S. L.; Norris, G. E.; Waters, J. M.","<i>exo</i>-2-(η^6^-Hexamethylbenzene)-<i>endo</i>-2-chloro-2-ruthena-<i>arachno</i>-tetraborane(8)","Acta Crystallographica Section C","1995","51","8","1503","1505","10.1107/S0108270195001272","","","0.71073","MoKα","","0.0353","0.0253","","0.0796","0.072","","","","1.023","1.017","1.017","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003755","7.312","0.003","8.349","0.004","10.358","0.002","98.82","0.03","96.98","0.03","114.7","0.04","555.4","0.4","297","","","","","","","","","","","4","P -1","-P 1","2","","3-(3-Nitroanilino)cyclohex-2-en-1-one","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C24 H24 N4 O6 -","2","1","BK1107","Huang, K.-S.; Britton, D.; Etter, M. C.","3-(3-Nitroanilino)cyclohex-2-en-1-one: an Unexpected Product from the Co-Crystallization of <i>m</i>-Nitroaniline with 1,3-Cyclohexanedione","Acta Crystallographica Section C","1995","51","8","1661","1663","10.1107/S0108270195001740","","","0.71073","MoKα","","","0.062","","","0.079","","","","","2.15","2.15","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003756","9.8537","0.001","14.2586","0.0013","14.7465","0.0014","90","","90","","90","","2071.9","0.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","BK1114","Clegg, W.; Ranelli, M.; Jackson, R. F. W.","An Epoxyamide","Acta Crystallographica Section C","1995","51","8","1604","1606","10.1107/S0108270195001260","","","1.54184","CuKα","","0.0512","0.048","","0.151","0.1369","","","","1.04","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003757","14.454","0.002","6.305","0.0006","15.085","0.003","90","","112.03","0.02","90","","1274.4","0.4","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","? #Bis(pentafluorophenyl)boron Chloride","","- C12 B Cl F10 -","- C12 B Cl F10 -","- C48 B4 Cl4 F40 -","4","1","BK1115","Piers, W. E.; von Spence, R. E.; MacGillivray, L. R.; Zaworotko, M. J.","Bis(pentafluorophenyl)boron Chloride","Acta Crystallographica Section C","1995","51","8","1688","1689","10.1107/S0108270195002526","","","0.7107","MoKα","","0.066","0.035","","0.034","0.033","","","","","2.11","2.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003758","9.349","0.008","13.439","0.008","11.703","0.008","90","","108.16","0.03","90","","1397.1","1.8","293","","","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N8 S4 Zn2 -","- C28 H20 N8 S4 Zn2 -","- C56 H40 N16 S8 Zn4 -","2","0.5","BM0001","Gronlund, P. J.; Wacholtz, W. F.; Mague, J. T.","A Mixed-Ligand Zinc(II) Complex Containing a Bridging Dithiolate Ligand","Acta Crystallographica Section C","1995","51","8","1540","1543","10.1107/S0108270195001995","","","0.71073","MoKα","","","0.071","","","0.083","","","","","2.42","2.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003759","8.684","0.003","12.239","0.004","8.974","0.002","90","","93.91","0.02","90","","951.6","0.5","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(-)-(2S,5R)-2-[(1'R)-1'-(N,N-dimethylsulfamoyl)-2'-methyl-1'-phenylprop- 2'-yl]-5-methylcyclohexan-1-one","","- C19 H29 N O3 S -","- C19 H29 N O3 S -","- C38 H58 N2 O6 S2 -","2","1","BM1003","Linden, A.; Stanchev, S.","Absolute Configurations of Two Enantiomers of a Substituted Cyclohexanone","Acta Crystallographica Section C","1995","51","8","1697","1699","10.1107/S0108270195002356","","","0.71069","MoKα","","0.0481","0.0368","","0.0363","0.0353","","","","","1.754","1.754","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003760","12.457","0.001","12.457","0.001","10.505","0.002","90","","90","","120","","1411.7","0.3","173","1","173","1","","","","","","","","5","P 32","P 32","145","","(+)-(2S,5R)-2-[(1'S)-1'-(N,N-dimethylsulfamoyl)-2'-methyl-1'-phenylprop- 2'-yl]-5-methylcyclohexan-1-one","","- C19 H29 N O3 S -","- C19 H29 N O3 S -","- C57 H87 N3 O9 S3 -","3","1","BM1003","Linden, A.; Stanchev, S.","Absolute Configurations of Two Enantiomers of a Substituted Cyclohexanone","Acta Crystallographica Section C","1995","51","8","1697","1699","10.1107/S0108270195002356","","","0.71069","MoKα","","0.0338","0.0295","","0.0297","0.0292","","","","","1.768","1.768","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003761","10.609","0.003","10.879","0.003","13.419","0.001","90","","100.14","0.01","90","","1524.6","0.6","173","1","173","1","","","","","","","(I) was prepared as described by Stanchev, Christov, Simova, Mladenova & Linden (1995). Suitable crystals were obtained by recrystallisation from CHCl~3~/hexane.","5","P 1 21 1","P 2yb","4","","(-)-(1S,2S,5R)-1-(N,N-Dimethylsulfamoylmethyl)-2-isopropyl-5-methylcyclohexan- 1-ol","","- C13 H27 N O3 S -","- C13 H27 N O3 S -","- C52 H108 N4 O12 S4 -","4","2","BM1004","Linden, A.; Stanchev, S.","Absolute Configuration of a Substituted Cyclohexanol","Acta Crystallographica Section C","1995","51","8","1694","1696","10.1107/S0108270195002368","","","0.71069","MoKα","","0.0448","0.0335","","0.0318","0.0309","","","","","1.705","1.705","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003762","9.415","0.001","9.415","0.001","7.078","0.001","90","","90","","120","","543.35","0.11","298","","298","","","","","","","","","3","P -6 2 m","P -6 -2","189","","σ-Dibarium Diphosphate","","- Ba2 O7 P2 -","- Ba2 O9 P2 -","- Ba6 O27 P6 -","3","0.25","BR1095","ElBelghitti, A. A.; Elmarzouki, A.; Boukhari, A.; Holt, E. M.","σ-Dibarium Pyrophosphate","Acta Crystallographica Section C","1995","51","8","1478","1480","10.1107/S0108270195001739","","","0.71073","MoKα","","","0.0254","","","0.0333","","","","","0.9","0.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003763","7.786","0.002","8.984","0.003","11.696","0.004","108.21","0.02","95.13","0.02","109.79","0.02","713.6","0.4","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Cl4 Cu N3 -","- C10 H11 Cl4 Cu N3 -","- C20 H22 Cl8 Cu2 N6 -","2","1","CR1092","Willett, R. D.","2,2'-Iminodipyridinium Tetrachlorocuprate(II)","Acta Crystallographica Section C","1995","51","8","1517","1519","10.1107/S0108270195002149","","","1.54178","CuKα","","","0.064","","","0.109","","","","","1.74","1.74","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003764","9.5781","0.0008","16.3763","0.0018","17.4396","0.0014","90","","90","","90","","2735.5","0.4","295","","","","","","","","","","","3","F d d d","-F 2uv 2vw","","","","","- C12 F14 O2 -","- C1.5 F1.5 O0.5 -","- C12 F12 O4 -","8","","CR1096","Baenziger, N. C.; Burton, D. J.; Tortelli, V.","2,3,5,6-Tetrakis(trifluoromethyl)terephthaloyl Difluoride","Acta Crystallographica Section C","1995","51","8","1663","1665","10.1107/S0108270195002125","","","1.5418","CuKα","","","0.051","","","0.087","","","","","1.032","1.032","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003765","11.011","0.002","11.395","0.002","11.491","0.002","114.5","0.2","101.8","0.1","93.3","0.2","1268","2","296","","","","","","","","","","Recrystallized","3","P -1","-P 1","2","","","","- C32 H30 O2 -","- C32 H30 O2 -","- C64 H60 O4 -","2","1","CR1131","Chen, C.-F.; Xu, J.-H.; Zhu, Y.; Liu, Y.-C.","(±)-3,4-Bis(4-methylphenyl)-1,6-diphenyl-1,6-hexanedione","Acta Crystallographica Section C","1995","51","8","1712","1714","10.1107/S0108270195000850","","","1.5418","CuKα","","","0.069","","","0.068","","","","","0.854","0.854","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003766","7.853","0.003","11.025","0.001","22.708","0.005","90","","95.96","0.01","90","","1955.4","0.9","296","","","","","","","","","","Recrystallized","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H10 Cl5 N O2 -","- C19 H10 Cl5 N O2 -","- C76 H40 Cl20 N4 O8 -","4","1","CR1132","Chen, C.-F.; Xu, J.-H.; Liu, Y.-C.; Xu, C.","2,3,5,6-Tetrachloro-4-hydroxyphenyl <i>N</i>-(4-Chlorophenyl)benzenecarboximidate","Acta Crystallographica Section C","1995","51","8","1709","1711","10.1107/S0108270195001247","","","0.7107","MoKα","","","0.05","","","0.047","","","","","1.35","1.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003767","13.663","0.004","15.342","0.003","23.557","0.005","90","","97.64","0.03","90","","4894","2","298","","","","","","","","","","MeOH evaporation","5","P 1 21 1","P 2yb","4","","","","- C42 H68 Br N5 O12 -","- C42 H68 Br N5 O12 -","- C168 H272 Br4 N20 O48 -","4","2","CR1144","Mayer, S. C.; Carroll, P. J.; Joullié, M. M.","The Cyclic Depsipeptide Backbone of the Didemnins","Acta Crystallographica Section C","1995","51","8","1609","1614","10.1107/S0108270194013405","","","1.54184","CuKα","","","0.065","","","0.077","","","","","2.49","2.49","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2003768","6.8102","0.0014","9.8841","0.0018","11.2926","0.0018","74.487","0.016","77.343","0.015","83.58","0.023","713.5","0.2","278","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 Cl N4 O3 -","- C12 H17 Cl N4 O3 -","- C24 H34 Cl2 N8 O6 -","2","1","CR1154","Brownstein, S. K.; Enright, G. D.","2,3-Diamino-5-hydrophenazinium Chloride Trihydrate","Acta Crystallographica Section C","1995","51","8","1579","1581","10.1107/S010827019500103X","","","1.54056","CuKα","","","0.06","","","0.07","","","","","2.3","2.3","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2003769","5.9355","0.0006","11.258","0.001","13.7293","0.0007","113.667","0.006","98.617","0.007","91.947","0.008","826.27","0.13","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 N4 O4 S3 -","- C10 H18 N4 O4 S3 -","- C20 H36 N8 O8 S6 -","2","1","CR1160","Ammon, H. L.; Seymour, R. J.; Huffman, W. M.; D'Silva, T. D. J.","Thiodicarb","Acta Crystallographica Section C","1995","51","8","1619","1621","10.1107/S0108270195000795","","","1.54178","CuKα","","","0.037","","","0.05","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003770","7.182","0.001","8.947","0.001","18.277","0.002","90","","91.89","0.01","90","","1173.8","0.2","293","","","","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N3 O4 -","- C10 H16 N3 O4 -","- C40 H64 N12 O16 -","4","1","CR1161","Abboud, K. A.; Summers, S. P.; Palenik, G. J.","Salicylaldehyde Semicarbazone‒Acetic Acid Hydrogen-Bonded Complex","Acta Crystallographica Section C","1995","51","8","1707","1709","10.1107/S0108270195002113","","","0.71073","MoKα","","","0.042","","","0.041","","","","","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003771","5.21","0.002","9.527","0.003","16.524","0.006","90","","90","","90","","820.2","0.5","295","","","","","","","","","","crystallized from CH~3~CN","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 I N S2 -","- C6 H4 I N S2 -","- C24 H16 I4 N4 S8 -","4","1","CR1162","Oakley, R. T.; von Spence, R. E.; Richardson, J. F.","Benzo-1,3,2-dithiazolium Iodide","Acta Crystallographica Section C","1995","51","8","1654","1655","10.1107/S0108270195000862","","","0.71073","MoKα","","","0.026","","","0.03","","","","","1.159","1.159","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003772","9.288","0.002","10.809","0.002","13.379","0.002","90","","100.91","0.01","90","","1318.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tetrachlorophenyl","","","- C12 H5 Cl4 N S -","- C12 H5 Cl4 N S -","- C48 H20 Cl16 N4 S4 -","4","1","CR1176","Zhang, H.; Refat, H. M.; Biehl, E.","α-(2,3,5,6-Tetrachlorophenyl)-α-(3-thienyl)acetonitrile and α-(3-Methoxyphenyl)-α-(2,3,4,5,6-pentachlorophenyl)acetonitrile","Acta Crystallographica Section C","1995","51","8","1667","1670","10.1107/S0108270195004288","","","0.71073","MoKα","","0.058","0.043","","0.131","0.114","","","","1.036","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003773","7.681","0.002","8.78","0.002","12.761","0.003","100.24","0.02","99.65","0.02","108.39","0.02","780.2","0.4","293","2","230","2","","","","","","","","5","P -1","-P 1","2","pentachlorophenyl","","","- C15 H8 Cl5 N O -","- C15 H8 Cl5 N O -","- C30 H16 Cl10 N2 O2 -","2","1","CR1176","Zhang, H.; Refat, H. M.; Biehl, E.","α-(2,3,5,6-Tetrachlorophenyl)-α-(3-thienyl)acetonitrile and α-(3-Methoxyphenyl)-α-(2,3,4,5,6-pentachlorophenyl)acetonitrile","Acta Crystallographica Section C","1995","51","8","1667","1670","10.1107/S0108270195004288","","","0.71073","MoKα","","0.144","0.056","","0.105","0.075","","","","1.016","1.161","1.161","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003774","9.2037","0.0006","11.114","0.002","30.012","0.005","90","","90","","90","","3069.9","0.8","295","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Mo8 O14 Pr -","- Mo8 O14 Pr -","- Mo96 O168 Pr12 -","12","1.5","DU1118","Kerihuel, G.; Gougeon, P.","PrMo~8~O~14~, a Fourth Crystalline Form of the Series <i>R</i>Mo~8~O~14~ (<i>R</i> = La, Ce, Pr, Nd, Sm)","Acta Crystallographica Section C","1995","51","8","1475","1478","10.1107/S0108270195002423","","","0.71073","MoKα","","","0.042","","","0.044","","","","","1.649","1.649","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003775","12.884","0.005","13.675","0.006","9.844","0.006","104.77","0.04","111.99","0.03","73.95","0.04","1523.1","1.4","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H27 B N6 O2 Zn -","- C34 H27 B N6 O2 Zn -","- C68 H54 B2 N12 O4 Zn2 -","2","1","FG1030","Kawabata, S.; Nakata, K.; Ichikawa, K.","Benzoato[hydrotris(3-phenylpyrazol-1-yl-<i>N</i>^2^)borato]zinc(II)","Acta Crystallographica Section C","1995","51","8","1554","1556","10.1107/S0108270195001302","","","1.54184","CuKα","","","0.051","","","0.083","","","","","2.38","2.38","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003776","12.0905","0.0015","12.0619","0.0013","13.97","0.002","89.416","0.008","81.601","0.008","75.202","0.008","1947.8","0.4","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","1-triphenylphosphine-μ^3^-(2,7,11)-triphenylphosphinecupradihydrido-closo- 1,2-selenacupraoctahydrododecaborane","","- C36 H40 B10 Cu2 P2 Se -","- C36 H40 B10 Cu2 P2 Se -","- C72 H80 B20 Cu4 P4 Se2 -","2","1","FG1040","Thornton-Pett, M.; Kennedy, J. D.; Breen, S. P.; Spalding, T. R.","<i>exo</i>-2,7,11-μ~3~-[Dihydro(triphenylphosphine)cuprio-2<i>Cu</i>,7<i>H</i>,11<i>H</i>]-2-triphenylphosphine-<i>closo</i>-1,2-selenacupradodecaborane(8)","Acta Crystallographica Section C","1995","51","8","1496","1498","10.1107/S0108270194012011","","","0.71069","MoKα","","0.0307","0.0246","","0.067","0.0641","","","","1.09","1.115","1.115","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003777","14.383","0.004","9.579","0.002","20.122","0.005","90","","90","","90","","2772.3","1.2","293","2","293","2","","","","","","","moved to publ/section/exptl/prep","3","P b c a","-P 2ac 2ab","61","","(+)-1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydro-anthraquinone","","- C16 H14 O5 -","- C16 H14 O5 -","- C128 H112 O40 -","8","1","FG1057","Bolaños-García, V. M.; Jaramillo-Flores, M. E.; Panneerselvam, K.; Soriano-García, M.","(±)-1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydroanthraquinone","Acta Crystallographica Section C","1995","51","8","1641","1643","10.1107/S0108270195001107","","","1.54178","CuKα","","0.0545","0.0478","","0.1427","0.1344","","","","1.081","1.104","1.104","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003778","8.502","0.002","21.675","0.013","8.741","0.003","90","","115.76","0.02","90","","1450.7","1.1","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1(R)-methyl-4(1'(R)-phenylethyl)-1H-2,3-benzodiazepine","","- C18 H18 N2 -","- C18 H18 N2 -","- C72 H72 N8 -","4","1","HA1139","Blake, A. J.; Harding, M.; Sharp, J. T.","4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds","Acta Crystallographica Section C","1995","51","8","1621","1627","10.1107/S0108270195001120","","","0.71073","MoKα","","0.0559","0.0452","","0.1281","0.1194","","","","1.033","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003779","11.7871","0.0009","10.3877","0.0007","12.4807","0.0008","90","","102.276","0.006","90","","1493.21","0.18","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1(R)-methyl-4(1'(R),2',2'-trimethylpropyl)-1H-2,3-benzodiazepine","","- C16 H22 N2 -","- C16 H22 N2 -","- C64 H88 N8 -","4","1","HA1139","Blake, A. J.; Harding, M.; Sharp, J. T.","4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds","Acta Crystallographica Section C","1995","51","8","1621","1627","10.1107/S0108270195001120","","","0.71073","MoKα","","0.0863","0.0435","","0.1226","0.1133","","","","1.035","1.219","1.219","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003780","12.852","0.006","10.605","0.005","12.331","0.006","90","","111.07","0.03","90","","1568.3","1.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1(R)-methyl-4(1'(R)-ethyl-2',2'-dimethylpropyl)-1H-2,3-benzodiazepine","","- C17 H24 N2 -","- C17 H24 N2 -","- C68 H96 N8 -","4","1","HA1139","Blake, A. J.; Harding, M.; Sharp, J. T.","4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds","Acta Crystallographica Section C","1995","51","8","1621","1627","10.1107/S0108270195001120","","","0.71073","MoKα","","0.1076","0.0486","","0.1433","0.1251","","","","1.054","1.208","1.208","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003781","6.35","0.005","10.954","0.008","21.118","0.018","90","","90","","90","","1469","2","150","0.2","150","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-methyl-4(1'-methoxy-benzyl)-1H-2,3-benzodiazepine","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","HA1139","Blake, A. J.; Harding, M.; Sharp, J. T.","4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds","Acta Crystallographica Section C","1995","51","8","1621","1627","10.1107/S0108270195001120","","","0.71073","MoKα","","0.0691","0.0552","","0.1591","0.1379","","","","1.035","1.057","1.057","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003782","7.7357","0.0009","9.4583","0.001","11.0128","0.0013","102.929","0.008","101.797","0.006","100.792","0.005","745.48","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1(S)-methyl-4(1'(R)-methoxy-2',2'-dimethylpropyl)-1H-2,3-benzodiazepine","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C32 H44 N4 O2 -","2","1","HA1139","Blake, A. J.; Harding, M.; Sharp, J. T.","4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds","Acta Crystallographica Section C","1995","51","8","1621","1627","10.1107/S0108270195001120","","","0.71073","MoKα","","0.037","0.0336","","0.0991","0.0925","","","","1.096","1.132","1.132","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003783","12.962","0.002","13.4604","0.0008","22.2464","0.0015","90","","90","","90","","3881.4","0.7","298","2","298","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","1(R)-methyl-4(1'(R)-benzoyloxy-2',2'-dimethylpropyl)-1H-2,3-benzodiazepine","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C176 H192 N16 O16 -","8","1","HA1139","Blake, A. J.; Harding, M.; Sharp, J. T.","4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds","Acta Crystallographica Section C","1995","51","8","1621","1627","10.1107/S0108270195001120","","","0.71073","MoKα","","0.046","0.0345","","0.0992","0.0938","","","","1.069","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003784","10.3302","0.0003","10.638","0.0002","9.7044","0.0002","90","","90","","90","","1066.44","0.04","293","","293","","","","","","","","Associated Octel Company Ltd","4","P 21 21 21","P 2ac 2ab","19","2,6-dichlorophenylguanidinium chloride","2,6-dichlorophenylguanidinium chloride","","- C7 H8 Cl3 N3 -","- C7 H8 Cl3 N3 -","- C28 H32 Cl12 N12 -","4","1","HA1140","Barker, J.; Powell, H. R.","2,6-Dichlorophenylguanidinium Chloride","Acta Crystallographica Section C","1995","51","8","1714","1716","10.1107/S0108270195002150","","","1.5418","CuKα","","0.0417","0.0405","","0.0432","0.0429","","","","","1.0991","1.0991","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003785","7.214","0.001","10.513","0.001","19.459","0.002","90","","90.81","0.01","90","","1475.7","0.5","293","","","","","","","","","","slow evaporation","5","P 1 21 1","P 2yb","4","","","","- C13 H16 N4 O3 S -","- C13 H16 N4 O3 S -","- C52 H64 N16 O12 S4 -","4","2","","Tsiveriotis, P.; Hadjiliadis, N.; Dahan, F.; Laussac, J. P.","Methyl 4-Diethylamino-2-formamidothieno[2,3-d]pyrimidine-6-carboxylate","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","8","1607","1609","10.1107/S0108270194012692","","","0.71073","MoKα","","","0.021","","","0.025","","","","","0.85","0.85","","","","","has coordinates","205899","2020-10-21","18:00:00",""
"2003786","10.828","0.006","16.339","0.003","15.034","0.006","90","","125.5","0.02","90","","2165.4","1.6","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Cl Cu N5 S -","- C25 H16 Cl Cu N5 S -","- C100 H64 Cl4 Cu4 N20 S4 -","4","1","HR1027","Parker, O. J.; Breneman, G. L.","<i>cis</i>-Chloro(isothiocyanato)bis(1,10-phenanthroline)copper(II), <i>cis</i>-[CuCl(NCS)(phen)~2~]","Acta Crystallographica Section C","1995","51","8","1529","1531","10.1107/S0108270194007109","","","0.71073","MoKα","","","0.043","","","0.046","","","","","1.26","1.26","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2003787","12.384","0.002","7.684","0.002","15.739","0.003","90","","111.65","0.03","90","","1392","0.6","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,6-DIMETHYLPHENYL(CARBOXYMETHYL)GLYCINATOCOPPER(II)MONOAQUOMONOAMMIN.","","- C12 H18 Cu N2 O5 -","- C12 H18 Cu N2 O5 -","- C48 H72 Cu4 N8 O20 -","4","1","HR1039","Hidalgo, M. A.; Romerosa, A.; Suárez-Varela, J.; Avila-Rosón, J. C.; Martín-Ramos, J. D.","(Ammine)(aqua)[<i>N</i>-(2,6-dimethylphenyl)-<i>N</i>-(carboxymethyl)glycinato-<i>N</i>,<i>O</i>,<i>O</i>'']copper(II)","Acta Crystallographica Section C","1995","51","8","1510","1512","10.1107/S0108270194015064","","","0.71069","MoKα","","0.2751","0.0387","","0.2601","0.0459","","","","","1.9165","1.9165","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003788","12.195","0.001","12.1952","","6.713","0.002","90","","90","","120","","864.6","0.3","293","","293","","","","","","","","The literature synthesis (Peringer, 1980) produced (1) in crystalline form","6","P -3","-P 3","147","","","","- C14 H36 F6 Hg O12 S8 -","- C14 H36 F6 Hg O12 S8 -","- C14 H36 F6 Hg O12 S8 -","1","0.166667","HR1049","Hook, J. M.; Dean, P. A. W.; Hockless, D. C. R.","Hexakis(dimethyl sulfoxide)mercury(II) Trifluoromethanesulfonate, a Standard for Solid-State ^199^Hg NMR","Acta Crystallographica Section C","1995","51","8","1547","1549","10.1107/S010827019500196X","","","1.5418","CuKalpha","","","0.036","","","0.046","","","","","2.69","2.69","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003789","9.534","0.004","14.283","0.004","24.02","0.005","90","","90","","90","","3270.9","1.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","oleandrin dihydrate","16ß-(Acetyloxy)-3ß-[(2,6-dideoxy-3-o-mothyl-L-arabino- hexopyranosyl)oxy]-14-hydroxycard-20-(22)-enolide.dihydrate","","- C32 H52 O11 -","- C32 H52 O11 -","- C128 H208 O44 -","4","1","HR1054","Panneerselvam, K.; Soriano-García, M.","16β-(Acetyloxy)-3β-[(2,6-dideoxy-3-<i>O</i>-methyl-<small>L</small>-<i>arabino</i>-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide Dihydrate","Acta Crystallographica Section C","1995","51","8","1646","1648","10.1107/S0108270195002216","","","1.54178","CuKα","","0.0393","0.0383","","0.1044","0.1033","","","","1.109","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003790","11.679","0.001","11.31","0.001","7.847","0.001","90","","90","","90","","1036.51","0.18","238","5","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 O4 S -","- C8 H16 O4 S -","- C32 H64 O16 S4 -","4","1","HU1071","Hellier, D. G.; Motevalli, M.","5-<i>tert</i>-Butyl-5-methyl-1,3,2-dioxathiane 2,2-Dioxide","Acta Crystallographica Section C","1995","51","8","1701","1703","10.1107/S0108270193012314","","","0.71069","MoKα","","0.0257","0.0248","","0.0574","0.057","","","","1.011","1.017","1.017","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003791","8.418","0.001","5.676","0.001","13.403","0.002","90","","94.81","0.01","90","","638.15","0.17","300","","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis-cupferronato copper(II)","bis-(N-nitroso-N-phenylhydroxylaminato) copper(II)","","- C12 H10 Cu N4 O4 -","- C12 H10 Cu N4 O4 -","- C24 H20 Cu2 N8 O8 -","2","0.5","HU1103","Elerman, Y.; Atakol, O.; Svoboda, I.; Geselle, M.","Bis(cupferronato)copper(II), [Cu(C~6~H~5~N~2~O~2~)~2~]","Acta Crystallographica Section C","1995","51","8","1520","1522","10.1107/S0108270195002770","","","0.71069","MoKα","","0.0461","0.0292","","0.0632","0.0617","","","","2.308","2.558","2.558","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003792","9.148","0.002","11.461","0.002","10.22","0.002","90","","90.271","0.015","90","","1071.5","0.4","296","","","","","","","","","","Recrystallized from a CH~2~Cl~2~/acetone","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 N4 Ni2 P4 -","- C14 H28 N4 Ni2 P4 -","- C28 H56 N8 Ni4 P8 -","2","0.5","HU1128","Manojlovic-Muir, Lj.; Muir, K. W.; Rennie, M.-A.","<i>trans</i>,<i>trans</i>-[Ni~2~(CN)~4~(Me~2~PCH~2~PMe~2~)~2~]","Acta Crystallographica Section C","1995","51","8","1533","1535","10.1107/S0108270194014733","","","0.71069","MoKα","","","0.029","","","0.033","","","","","1.79","1.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003793","17.473","0.003","10.926","0.002","16.163","0.003","90","","91.17","0.03","90","","3085","1","295","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Cl2 N6 O8 Zn -","- C30 H24 Cl2 N6 O8 Zn -","- C120 H96 Cl8 N24 O32 Zn4 -","4","0.5","JZ1001","Chen, X.-M.; Wang, R.-Q.; Yu, X.-L.","Tris(2,2'-bipyridine)zinc(II) Perchlorate","Acta Crystallographica Section C","1995","51","8","1545","1547","10.1107/S0108270195000321","","","0.71073","MoKα","","","0.047","","","0.0646","","","","","2.05","2.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003794","20.32","0.003","18.618","0.004","5.095","0.002","90","","90","","90","","1927.5","0.9","294","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","JZ1016","Sudha, L.; Subramanian, K.; Sivaraman, J.; Sriraghavan, K.; Steiner, Th.","5-Amino-8-methyl-2-quinolone Monohydrate","Acta Crystallographica Section C","1995","51","8","1689","1691","10.1107/S0108270195001867","","","1.54184","CuKα","","","0.054","","","0.062","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003795","9.441","0.001","9.441","0.002","39.253","0.005","90","","90","","90","","3498.7","0.9","295","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C152 H184 N8 O32 -","8","1","KA1093","Stankovic, S.; Lazar, D.; Petrovic, J.; Miljovic, D.; Pejanovic, V.; Courseille, C.","17β-Hydroxy-3-methoxyestra-1,3,5(10)-triene-6,7-dione 7-Oxime","Acta Crystallographica Section C","1995","51","8","1581","1583","10.1107/S0108270195001375","","","1.54184","CuKα","","","0.06","","","0.063","","","","","1.9","1.9","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003796","24.612","0.006","60.31","0.008","9.131","0.007","90","","90","","90","","13554","11","293","2","293","2","","","","","","","synthesis","4","F d d 2","F 2 -2d","43","Depogen","","","- C33 H43 N5 O9 -","- C33 H43 N5 O9 -","- C528 H688 N80 O144 -","16","1","KA1104","Böcskei, Z.; Simon, K.; Friesz, A.; Hermecz, I.","Depogen, a Haemorheological Agent","Acta Crystallographica Section C","1995","51","8","1587","1590","10.1107/S0108270195000709","","","1.5418","CuKα","","0.1266","0.0581","","0.2132","0.1556","","","","1.024","1.126","1.126","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2003797","8.869","0.001","21.561","0.003","9.014","0.001","90","","98.33","0.02","90","","1705.5","0.4","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 O4 S -","- C18 H15 N3 O4 S -","- C72 H60 N12 O16 S4 -","4","1","KA1106","Główka, M. L.; Olubek, Z.; Olczak, A.","3-Nitro-<i>N</i>-phenyl-4-(phenylamino)benzenesulfonamide","Acta Crystallographica Section C","1995","51","8","1639","1641","10.1107/S0108270195001776","","","1.54178","CuKα","","","0.039","","","0.062","","","","","1.072","1.072","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003798","5.522","0.005","19.389","0.017","8.208","0.006","90","","92.68","0.07","90","","877.8","1.3","293","1","293","1","","","","","","","","4","P 1 21 1","P 2yb","4","","L-(+)-α-Bromobenzeneacetic acid, (-)-Menthyl ester","","- C18 H25 Br O2 -","- C18 H25 Br O2 -","- C36 H50 Br2 O4 -","2","1","KA1107","Kolev, T.; Preut, H.; Koniczek, L.; Bleckmann, P.; Juchnovski, I.; Mladenova, M.","<small>L</small>-(+)-α-Bromobenzeneacetic Acid ({-})-Menthyl Ester","Acta Crystallographica Section C","1995","51","8","1634","1636","10.1107/S0108270195001430","","","0.71073","MoKα","","0.0406","0.0292","","0.0401","0.0299","","","","","0.68","0.68","","","","","has coordinates","288531","2023-12-23","23:35:59",""
"2003799","7.032","0.001","7.443","0.001","19.574","0.004","90","","90","","90","","1024.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(2-Methoxyphenyl)pyridine-N-oxide","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","KA1113","Wolska, I.; Kubicki, M.; Gawron, M.; Borowiak, T.; Antkowiak, W. Z.","2-(2-Methoxyphenyl)pyridine 1-Oxide and its 3-Methyl Derivative","Acta Crystallographica Section C","1995","51","8","1590","1593","10.1107/S0108270195002083","","","1.54178","CuKα","","0.0413","0.0398","","0.1164","0.1157","","","","1.098","1.113","1.113","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003800","10.677","0.002","7.75","0.001","13.961","0.003","90","","104.77","0.01","90","","1117.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-methoxyphenyl)-3-methylpyridine-1-oxide","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","KA1113","Wolska, I.; Kubicki, M.; Gawron, M.; Borowiak, T.; Antkowiak, W. Z.","2-(2-Methoxyphenyl)pyridine 1-Oxide and its 3-Methyl Derivative","Acta Crystallographica Section C","1995","51","8","1590","1593","10.1107/S0108270195002083","","","1.54178","CuKα","","0.0444","0.0371","","0.1047","0.0981","","","","1.176","1.205","1.205","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003801","11.028","0.002","11.308","0.003","10.988","0.003","117.1","0.02","114.48","0.02","77.16","0.02","1109.2","0.5","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H44 Cl6 Er2 N4 O40 -","- C12 Cl6 Er2 N4 O40 -","- C12 Cl6 Er2 N4 O40 -","1","0.5","KH1001","Hu, N.-H.; Wang, Z.-L.; Niu, C.-J.; Ni, J.-Z.","Tetrakis(μ-<small>DL</small>-alanine-<i>O</i>:<i>O</i>')octaaquadierbium(III) Hexaperchlorate","Acta Crystallographica Section C","1995","51","8","1565","1568","10.1107/S0108270194013752","","","0.71073","MoKα","","","0.03","","","0.033","","","","","1.39","1.39","","","","","has coordinates","208885","2020-10-21","18:00:00",""
"2003802","7.9455","0.0011","5.8831","0.0007","12.56","0.002","90","","100.822","0.011","90","","576.67","0.14","293","1","293","1","","","","","","","Lowe & Tsanaktsidis","3","P 1 21/c 1","-P 2ybc","14","","(1) Dimethyl 2-methylcubane-1,4-dicarboxylate","","- C13 H14 O4 -","- C13 H14 O4 -","- C26 H28 O8 -","2","0.5","KH1021","Cristiano, D.; Gable, R. W.; Lowe, D. A.; Tsanaktsidis, J.","Dimethyl 2-Methylcubane-1,4-dicarboxylate and Dimethyl 2,3-Dimethylcubane-1,4-dicarboxylate","Acta Crystallographica Section C","1995","51","8","1658","1661","10.1107/S0108270195002411","","","0.71069","MoKα","","0.0551","0.0465","","0.1279","0.1233","","","","1.088","1.179","1.179","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003803","6.5835","0.0012","9.487","0.002","10.546","0.002","74.1","0.02","83.81","0.02","87.89","0.02","629.8","0.2","293","1","293","1","","","","","","","Cristiano & Tsanaktsidis","3","P -1","-P 1","2","","(2) Dimethyl 2,3 Dimethylcubane-1,4-dicarboxylate","","- C14 H16 O4 -","- C14 H16 O4 -","- C28 H32 O8 -","2","1","KH1021","Cristiano, D.; Gable, R. W.; Lowe, D. A.; Tsanaktsidis, J.","Dimethyl 2-Methylcubane-1,4-dicarboxylate and Dimethyl 2,3-Dimethylcubane-1,4-dicarboxylate","Acta Crystallographica Section C","1995","51","8","1658","1661","10.1107/S0108270195002411","","","0.71069","MoKα","","0.0551","0.0439","","0.133","0.1256","","","","1.064","1.144","1.144","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003804","10.527","0.003","12.163","0.003","12.653","0.005","107.36","0.03","104.31","0.03","108.6","0.02","1356.5","0.9","133","","133","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H58 Cu4 N18 S4 -","- C50 H58 Cu4 N18 S4 -","- C50 H58 Cu4 N18 S4 -","1","0.5","KH1024","Brooker, S.; Carter, B. M.","Synthesis and Structure of a Tetracopper(II) Complex of a Pyrrole-Containing Unsymmetrical Binucleating Ligand: [Cu~2~<i>L</i>(NCS)~2~]~2~","Acta Crystallographica Section C","1995","51","8","1522","1524","10.1107/S0108270195001363","","","0.71073","MoKα","","0.0807","0.045","","0.0966","0.0838","","","","1.052","1.103","1.103","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003805","8.128","0.003","10.174","0.003","11.191","0.004","115.19","0.03","97.27","0.03","105.55","0.03","775.4","0.6","298","","","","","","","","","","see text","5","P -1","-P 1","2","","","","- C40 H28 N2 Ni O6 -","- C40 H28 N2 Ni O6 -","- C40 H28 N2 Ni O6 -","1","0.5","LI1124","Farina, Y.; Yamin, B. M.; Fun, H.-K.; Yip, B.-C.; Teoh, S.-G.","<i>trans</i>-Bis(3-hydroxy-2-phenyl-4<i>H</i>-1-benzopyran-4-onato)bis(pyridine)nickel(II)","Acta Crystallographica Section C","1995","51","8","1537","1540","10.1107/S0108270195000825","","","0.7107","MoKα","","","0.0389","","","0.0477","","","","","1.24","1.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003806","13.188","0.002","7.722","0.001","21.178","0.003","90","","90","","90","","2156.7","0.5","298","","","","","","","","","","prepared in the laboratory","5","P b c a","-P 2ac 2ab","61","","","","- C13 H9 N O S -","- C13 H9 N O S -","- C104 H72 N8 O8 S8 -","8","1","LI1128","Teo, S.-B.; Okechuckwu, R. C.; Teoh, S.-G.; Fun, H.-K.; Chinnakali, K.","2-(4-Hydroxyphenyl)benzothiazole","Acta Crystallographica Section C","1995","51","8","1629","1630","10.1107/S0108270195002071","","","0.71069","MoKα","","","0.0371","","","0.0573","","","","","1.34","1.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003807","7.242","0.003","8.454","0.003","12.23","0.006","74.53","0.03","74.15","0.03","78.64","0.03","688","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Mono-[N-(3-aminopropyl)-1,3-propanediamine] diaquasulfatonickel(II) monohydrate","","- C6 H23 N3 Ni O7 S -","- C6 H23 N3 Ni O7 S -","- C12 H46 N6 Ni2 O14 S2 -","2","1","LI1131","Mukherjee, M.; Mukherjee, A. K.; Pariya, C.; Ray Chaudhuri, N.","[<i>N</i>-(3-Aminopropyl)-1,3-propanediamine]diaquasulfatonickel(II) Monohydrate, [Ni(SO~4~)(dpt)(H~2~O)~2~].H~2~O [dpt = NH~2~(CH~2~)~3~NH(CH~2~)~3~NH~2~]","Acta Crystallographica Section C","1995","51","8","1543","1545","10.1107/S0108270195000813","","","0.71073","MoKα","","0.0329","0.0246","","0.0789","0.0579","","","","0.944","0.947","0.947","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003808","10.06","0.002","13.953","0.005","23.804","0.004","90","","95.27","0.01","90","","3327.2","1.5","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 La2 O16 -","- C24 H38 La2 O16 -","- C96 H152 La8 O64 -","4","0.5","MU1143","Lu, W.-M.; Wu, J.-B.; Dong, N.; Chun, W.-G.; Gu, J.-M.; Liang, K.-L.","<i>catena</i>-Diaquatris(α-methylacrylato)lanthanum(III)","Acta Crystallographica Section C","1995","51","8","1568","1570","10.1107/S0108270194013223","","","0.71073","MoKα","","","0.0471","","","0.056","","","","","5.991","5.991","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2003809","25.64","0.005","8.4901","0.0008","17.662","0.002","90","","94.22","0.01","90","","3834.3","0.9","298","","","","","","","","","","evaporation from CH~2~Cl~2~/n-hexane","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H30 Cr2 O10 P2 -","- C39 H30 Cr2 O10 P2 -","- C156 H120 Cr8 O40 P8 -","4","0.5","MU1146","Ueng, C.-H.; Shih, G.-Y.","[<i>M</i>~2~(CO)~10~(μ-dppp~e~)] [<i>M</i> = Cr, W; dppp~e~ = Ph~2~P(CH~2~)~5~PPh~2~]","Acta Crystallographica Section C","1995","51","8","1524","1526","10.1107/S0108270194014605","","","0.71073","MoKα","","","0.034","","","0.029","","","","","3.13","3.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003810","25.956","0.004","8.553","0.001","17.784","0.003","90","","94.04","0.01","90","","3938.3","1","298","","","","","","","","","","evaporation from CH~2~Cl~2~/n-hexane","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H30 O10 P2 W2 -","- C39 H30 O10 P2 W2 -","- C156 H120 O40 P8 W8 -","4","0.5","MU1146","Ueng, C.-H.; Shih, G.-Y.","[<i>M</i>~2~(CO)~10~(μ-dppp~e~)] [<i>M</i> = Cr, W; dppp~e~ = Ph~2~P(CH~2~)~5~PPh~2~]","Acta Crystallographica Section C","1995","51","8","1524","1526","10.1107/S0108270194014605","","","0.71073","MoKα","","","0.028","","","0.026","","","","","2.92","2.92","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003811","11.002","0.006","8.857","0.004","12.246","0.005","90","","91.38","0.03","90","","1193","1","293","","","","","","","","","","see text","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 As I -","- C12 H10 As I -","- C48 H40 As4 I4 -","4","1","MU1163","Begley, M. J.; Sowerby, D. B.; Silaghi-Dumitrescu, L.","Diphenylarsenic(III) Iodide","Acta Crystallographica Section C","1995","51","8","1632","1634","10.1107/S0108270195001466","","","0.71073","MoKα","","","0.039","","","0.045","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003812","19.656","0.003","35.939","0.002","12.149","0.002","90","","90","","90","","8582","2","298","","","","","","","","","","see text","6","F d d 2","F 2 -2d","43","","","","- C10 H28 La N2 Na O16 -","- C10 H16 La N2 Na O16 -","- C160 H256 La16 N32 Na16 O256 -","16","1","MU1164","Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.","Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts","Acta Crystallographica Section C","1995","51","8","1559","1563","10.1107/S0108270195001843","","","0.71073","MoKα","","","0.027","","","0.034","","","","","1.93","1.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003813","19.543","0.005","35.683","0.008","12.142","0.005","90","","90","","90","","8467","5","298","","","","","","","","","","see text","6","F d d 2","F 2 -2d","43","","","","- C10 H28 N2 Na Nd O16 -","- C10 N2 Na Nd O16 -","- C160 N32 Na16 Nd16 O256 -","16","1","MU1164","Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.","Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts","Acta Crystallographica Section C","1995","51","8","1559","1563","10.1107/S0108270195001843","","","0.71073","MoKα","","","0.025","","","0.031","","","","","1.56","1.56","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2003814","19.46","0.003","35.583","0.003","12.127","0.003","90","","90","","90","","8397","3","298","","","","","","","","","","see text","6","F d d 2","F 2 -2d","43","","","","- C10 H28 Eu N2 Na O16 -","- C10 Eu N2 Na O16 -","- C160 Eu16 N32 Na16 O256 -","16","1","MU1164","Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.","Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts","Acta Crystallographica Section C","1995","51","8","1559","1563","10.1107/S0108270195001843","","","0.71073","MoKα","","","0.028","","","0.032","","","","","1.97","1.97","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2003815","7.494","0.001","7.538","0.003","38.3","0.09","90","","90","","90","","2164","5","293","2","293","2","","","","","","","chemical synthesis","5","P 21 21 21","P 2ac 2ab","19","","(1S)-2-[(1R,1'R)-bis(1-Methylpropyl)amino]-1-[(5S)-1-(2-chlorophenyl) methyl-2-oxo-5-pyrrolidinyl]ethanol","","- C21 H33 Cl N2 O2 -","- C21 H33 Cl N2 O2 -","- C84 H132 Cl4 N8 O8 -","4","1","MU1165","Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F.","Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic","Acta Crystallographica Section C","1995","51","8","1675","1680","10.1107/S0108270195001478","","","1.54056","CuKα","","0.2612","0.0784","","0.327","0.2139","","","","0.904","1.236","1.236","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003816","17.224","0.003","17.224","0.003","7.416","0.002","90","","90","","90","","2200.1","0.8","293","2","293","2","","","","","","","chemical synthesis","5","P 43","P 4cw","78","","(1S)-2-[(1S,1'S)-bis(1-Methylpropyl)amino]-1-[(5S)-1-(2-chlorophenyl) methyl-2-oxo-5-pyrrolidinyl]ethanol","","- C21 H33 Cl N2 O2 -","- C21 H33 Cl N2 O2 -","- C84 H132 Cl4 N8 O8 -","4","1","MU1165","Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F.","Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic","Acta Crystallographica Section C","1995","51","8","1675","1680","10.1107/S0108270195001478","","","1.54178","CuKα","","0.1211","0.0616","","0.1876","0.1527","","","","0.958","1.139","1.139","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003817","13.627","0.002","7.298","0.002","11.527","0.002","90","","108.16","0.01","90","","1089.3","0.4","293","2","293","2","","","","","","","chemical synthesis","5","P 1 21 1","P 2yb","4","","(1S)-2-[(1R,1'S)-bis(1-Methylpropyl)amino]-1-[(5S)-1-(2-chlorophenyl) methyl-2-oxo-5-pyrrolidinyl]ethanol","","- C21 H33 Cl N2 O2 -","- C21 H33 Cl N2 O2 -","- C42 H66 Cl2 N4 O4 -","2","1","MU1165","Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F.","Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic","Acta Crystallographica Section C","1995","51","8","1675","1680","10.1107/S0108270195001478","","","1.54178","CuKα","","0.072","0.0369","","0.0924","0.0831","","","","0.795","0.997","0.997","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003818","10.567","0.003","11.156","0.003","9.54","0.002","90","","95.42","0.04","90","","1119.6","0.5","293","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 N3 O5 S2 -","- C6 H11 N3 O5 S2 -","- C24 H44 N12 O20 S8 -","4","1","MU1166","Kubiak, M.; Glowiak, T.; Raper, E. S.","(2-Oxo-1,3-thiazolidin-3-yl)carbonylthioethylammonium Nitrate, C~6~H~11~N~2~O~2~S~2~^+^.NO~3~^{-^}","Acta Crystallographica Section C","1995","51","8","1691","1693","10.1107/S010827019500148X","","","0.71069","MoKα","","","0.038","","","0.041","","","","","3.81","3.81","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003819","8.235","0.002","8.602","0.001","19.604","0.001","90","","90","","90","","1388.7","0.4","293","","","","","","","","","","synthesis and recrystallization","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 Cl2 Cu N3 -","- C12 H17 Cl2 Cu N3 -","- C48 H68 Cl8 Cu4 N12 -","4","1","MU1170","Wong, W.-T.; Leung, W.-H.; Chan, E. Y. Y.","Dichloro[(1<i>R</i>,2<i>R</i>)-<i>N</i>-(2-pyridylmethylene)-1,2-cyclohexanediamine]copper(II)","Acta Crystallographica Section C","1995","51","8","1519","1520","10.1107/S010827019500223X","","","0.71073","MoKα","","","0.031","","","0.042","","","","","1.034","1.034","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003820","13.029","0.002","25.722","0.009","13.791","0.006","90","","90","","90","","4622","3","293","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H24 Cl2 Cr F6 N4 P -","- C17 H24 Cl2 Cr F6 N4 P -","- C136 H192 Cl16 Cr8 F48 N32 P8 -","8","1","MU1171","Wong, W.-T.; Leung, W.-H.","<i>cis</i>-Dichloro[<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>,<i>N</i>'-bis(2-pyridylmethyl)-1,3-propanediamine]chromium(III) Hexafluorophosphate","Acta Crystallographica Section C","1995","51","8","1494","1495","10.1107/S0108270195002241","","","0.71073","MoKα","","","0.074","","","0.088","","","","","3.061","3.061","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003821","25.975","0.003","8.013","0.002","14.051","0.002","90","","110.34","0.02","90","","2742.2","0.9","299","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Cl3 Hg N2 -","- C10 H14 Cl3 Hg N2 -","- C80 H112 Cl24 Hg8 N16 -","8","1","NA1108","Zouari, F.; Ben Salah, A.; Hovestreydt, E. R.","Phenylpiperazinium Trichloromercurate","Acta Crystallographica Section C","1995","51","8","1563","1565","10.1107/S0108270194013454","","","0.71073","MoKα","","","0.0529","","","0.0615","","","","","1.14","1.14","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003822","19.1","0.002","9.826","0.001","13.411","0.001","90","","129.53","0.06","90","","1941.3","1.7","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Cl N6 -","- C8 H11 Cl N6 -","- C64 H88 Cl8 N48 -","8","2","NA1131","Carugo, O.; Castellani, C. B.; Perotti, A.","Mono- and Diprotonated 1,4-Dihydrazinophthalazine: C~8~H~11~N~6~^+^.Cl^{-^} and C~8~H~12~N~6~^2+^.2Cl^{-^}.2H~2~O","Acta Crystallographica Section C","1995","51","8","1683","1687","10.1107/S0108270195000187","","","1.54184","CuKα","","","0.047","","","0.031","","","","","0.899","0.899","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003823","9.819","0.001","21.581","0.002","7.027","0.001","90","","113.88","0.06","90","","1361.6","0.7","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Cl2 N6 O2 -","- C8 H16 Cl2 N6 O2 -","- C32 H64 Cl8 N24 O8 -","4","1","NA1131","Carugo, O.; Castellani, C. B.; Perotti, A.","Mono- and Diprotonated 1,4-Dihydrazinophthalazine: C~8~H~11~N~6~^+^.Cl^{-^} and C~8~H~12~N~6~^2+^.2Cl^{-^}.2H~2~O","Acta Crystallographica Section C","1995","51","8","1683","1687","10.1107/S0108270195000187","","","1.54184","CuKα","","","0.039","","","0.03","","","","","0.935","0.935","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003824","34.342","0.009","12.642","0.002","34.23","0.009","90","","119.43","0.02","90","","12943","6","295","","","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C120 H190 N8 O17 U2 -","- C122 N8 O17 U2 -","- C488 N32 O68 U8 -","4","0.5","NA1138","Thuéry, P.; Keller, N.; Lance, M.; Vigner, J.-D.; Nierlich, M.","A Bimetallic Complex Between Uranyl and <i>p</i>-<i>tert</i>-Butylcalix[8]arene","Acta Crystallographica Section C","1995","51","8","1570","1574","10.1107/S0108270195000710","","","0.71073","MoKα","","","0.052","","","0.073","","","","","2.92","2.92","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003825","7.624","0.002","10.027","0.002","12.001","0.003","97.46","0.01","106.79","0.01","108.76","0.01","806.2","0.3","294","2","294","2","","","","","","","","5","P 1","P 1","1","","[(Aqua)(L-serinato)(1,10-phenantroline) copper(II)] nitrate.","","- C15 H16 Cu N4 O7 -","- C15 H16 Cu N4 O7 -","- C30 H32 Cu2 N8 O14 -","2","2","NA1141","Moreno-Esparza, R.; Molins, E.; Briansó-Penalva, J. L.; Ruiz-Ramírez, L.; Redón, R.","Aqua(1,10-phenanthroline)(<small>L</small>-serinato)copper(II) Nitrate","Acta Crystallographica Section C","1995","51","8","1505","1508","10.1107/S0108270195002010","","","0.71073","MoKα","","0.0516","0.0383","","0.107","0.1018","","","","1.046","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003826","7.9463","0.0015","9.549","0.005","26.364","0.006","90","","90","","90","","2000.5","1.2","293","2","293","2","","","","","","","slow evaporation of aqueous solution at 293K","4","P b c a","-P 2ac 2ab","61","","Potassium_hydrogen_cis-4-cyclohexene-1,2-dicarboxylate_monohydrate","","- C8 H11 K O5 -","- C8 H11 K O5 -","- C64 H88 K8 O40 -","8","1","NA1143","Kim, S. A.","Potassium Hydrogen <i>cis</i>-4-Cyclohexene-1,2-dicarboxylate Monohydrate","Acta Crystallographica Section C","1995","51","8","1486","1488","10.1107/S0108270195001673","","","0.71069","MoKα","","0.0674","0.0434","","0.1286","0.1121","","","","1.026","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003827","6.988","0.002","14.11","0.003","30.133","0.006","90","","90","","90","","2971.1","1.2","293","2","293","2","","","","","","","recrystallized from an aqueous solution at room temperature","5","P b c a","-P 2ac 2ab","61","","3-[(2-benzotrifluoride)-2-hydroxy-3H-naphth-3-ylidene)methyl]aldamine","","- C18 H12 F3 N O -","- C18 H12 F3 N O -","- C144 H96 F24 N8 O8 -","8","1","NA1150","Fernández-G., J. M.; Rodríguez-Romero, A.; Panneerselvam, K.; Soriano-García, M.","Two 2,3-Naphthalenic Schiff Bases","Acta Crystallographica Section C","1995","51","8","1643","1646","10.1107/S0108270195001417","","","1.54178","CuKα","","0.0588","0.0554","","0.1543","0.1497","","","","1.181","1.212","1.212","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003828","6.076","0.002","14.055","0.006","15.087","0.009","90","","90","","90","","1288.4","1","293","2","293","2","","","","","","","recrystallized from an aqueous solution at room temperature","4","P 21 21 21","P 2ac 2ab","19","","3-[(tertbutyl)-2-Hydroxy-3H-Naphth-3-ylidene)methyl]aldamine","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","NA1150","Fernández-G., J. M.; Rodríguez-Romero, A.; Panneerselvam, K.; Soriano-García, M.","Two 2,3-Naphthalenic Schiff Bases","Acta Crystallographica Section C","1995","51","8","1643","1646","10.1107/S0108270195001417","","","1.54178","CuKα","","0.0585","0.0554","","0.1643","0.1597","","","","1.153","1.164","1.164","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003829","12.139","0.003","14.635","0.003","27.951","0.007","90","","90","","90","","4966","2","293","","","","","","","","","","?","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O4 -","- C27 H40 O4 -","- C216 H320 O32 -","8","2","","Puliti, R.; Mattia, C. A.; Mazzarella, L.","Scalaradial, a Sesterterpenoid Metabolite from the Marine Sponge Cacospongia mollior","Acta Crystallographica Section C","1995","51","8","1703","1707","10.1107/S0108270195002034","","","1.54056","CuKα","","","0.04","","","0.039","","","","","0.89","0.89","","","","","has coordinates","175356","2020-10-21","18:00:00",""
"2003830","8.166","0.002","8.845","0.002","5.934","0.001","102.54","0.02","94.37","0.02","113.57","0.02","377.05","0.16","297","","","","","","","","","","hydrothermal synthesis","4","P -1","-P 1","2","","","","- Cu9 H2 O20 P4 -","- Cu9 H2 O20 P4 -","- Cu9 H2 O20 P4 -","1","0.5","OH1045","Yamashita, A.; Kawahara, A.; Sasaki, N.","Synthetic Copper Monophosphate","Acta Crystallographica Section C","1995","51","8","1483","1485","10.1107/S0108270193008145","","","0.71069","MoKα","","","0.042","","","0.057","","","","","1.77","1.77","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003831","22.288","0.002","22.288","0.002","22.288","0.002","90","","90","","90","","11071.7","1.7","295","","","","","","","","","","synthesis","5","F d -3 c","-F 4ud 2vw 3","","","","","- Cl5 Cr Cu H18 N6 -","- Cl5 Cr Cu H18 N6 -","- Cl160 Cr32 Cu32 H576 N192 -","32","","OH1078","Ohba, S.; Fujita, T.; Bernal, I.","Phase Transition of Hexaamminechromium(III) Pentachlorocuprate(II)","Acta Crystallographica Section C","1995","51","8","1481","1483","10.1107/S0108270195001521","","","0.71073","MoKα","","","0.03","","","0.031","","","","","1.82","1.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003832","22.155","0.003","22.155","0.003","22.181","0.006","90","","90","","90","","10887","4","120","","","","","","","","","","synthesis","5","F 41/a d c","-I 4bd 2c (1/2*x+1/2*y,-1/2*x+1/2*y,z)","142","","","","- Cl5 Cr Cu H18 N6 -","- Cl5 Cr Cu H18 N6 -","- Cl160 Cr32 Cu32 H576 N192 -","32","","OH1078","Ohba, S.; Fujita, T.; Bernal, I.","Phase Transition of Hexaamminechromium(III) Pentachlorocuprate(II)","Acta Crystallographica Section C","1995","51","8","1481","1483","10.1107/S0108270195001521","","","0.71073","MoKα","","","0.1","","","0.092","","","","","6.73","6.73","","","","","has coordinates","206090","2020-10-21","18:00:00",""
"2003833","6.999","0.001","7.787","0.002","26.933","0.003","91.68","0.02","89.54","0.01","105.37","0.02","1414.8","0.5","293","","293","","","","","","","","","5","P -1","-P 1","2","","2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5,6-dihydro-1,3-dithiolo[4,5-b]-1,4- dithiin tetrafluoroborate (2:1)","","- C20 H20 B F4 S12 -","- C20 H16 B F4 S12 -","- C40 H32 B2 F8 S24 -","2","1","OH1079","Saitoh, H.; Saito, K.; Itoh, H.; Mochiduki, T.; Kikuchi, K.; Ikemoto, I.","Organic Metal (DIMET)~2~BF~4~","Acta Crystallographica Section C","1995","51","8","1656","1658","10.1107/S0108270195001806","","","0.71068","MoKα","","","0.04","","","0.043","","","","","4.38","4.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003834","10.021","0.003","5.991","0.002","18.094","0.006","90","","101.1","0.03","90","","1066","0.6","298","","","","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","PA1059","Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.","Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères","Acta Crystallographica Section C","1995","51","8","1595","1602","10.1107/S0108270194002945","","","0.71069","MoKα","","","0.037","","","0.037","","","","","0.83","0.83","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003835","11.28","0.05","7.92","0.03","13.45","0.05","90","","105.16","0.08","90","","1160","8","298","","","","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","PA1059","Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.","Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères","Acta Crystallographica Section C","1995","51","8","1595","1602","10.1107/S0108270194002945","","","0.71069","MoKα","","","0.072","","","0.072","","","","","0.98","0.98","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003836","7.236","0.007","7.714","0.003","21.663","0.007","90","","112.34","0.06","90","","1118.4","1.3","298","","","","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","","","","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","1","PA1059","Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.","Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères","Acta Crystallographica Section C","1995","51","8","1595","1602","10.1107/S0108270194002945","","","0.71069","MoKα","","","0.046","","","0.046","","","","","1.34","1.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003837","10.749","0.009","9.509","0.003","17.977","0.005","90","","146.08","0.07","90","","1025","2","298","","","","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","","","","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","1","PA1059","Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.","Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères","Acta Crystallographica Section C","1995","51","8","1595","1602","10.1107/S0108270194002945","","","0.71069","MoKα","","","0.034","","","0.034","","","","","0.046","0.046","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003838","9.8","0.02","15.88","0.05","9.38","0.02","96.08","0.08","105.8","0.08","77.3","0.1","1369","6","100","","","","","","","","","","synthesis","4","P -1","-P 1","2","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C60 H66 N6 O12 -","6","3","PA1059","Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.","Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères","Acta Crystallographica Section C","1995","51","8","1595","1602","10.1107/S0108270194002945","","","1.5428","CuKα","","","0.066","","","0.066","","","","","1.22","1.22","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2003839","9.598","0.001","11.636","0.002","12.759","0.002","110.64","0.02","107.07","0.02","96.58","0.02","1236.3","0.4","25","","","","","","","","","","methanol solution","4","P -1","-P 1","2","","","","- C10 H20 N2 O3 -","- C10 H19 N2 O3 -","- C40 H76 N8 O12 -","4","2","PA1103","Aubry, A.; Dupont, V.; Marraud, M.","^<i>t^</i>BuCO-ψ[CO-N(OH)]-Gly-NH^<i>i^</i>Pr","Acta Crystallographica Section C","1995","51","8","1577","1579","10.1107/S0108270194006025","","","1.5406","CuKα","","","0.074","","","0.087","","","","","10.3","10.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003840","14.078","0.003","9.473","0.002","14.899","0.003","90","","79.51","0.03","90","","1953.7","0.7","293","","293","","","","","","","","grown from heptane solution","4","P 1 21/a 1","-P 2yab","14","Spiro[azatricycloundecane-naphthoxazine]","8-methyl-spiro[syn-10,11-benzo-8-azatricyclo[5,2,2,0^1,5^] undecane-9-3'[3H]naphth[1,2b][1,4]oxazine","","- C26 H24 N2 O -","- C26 H24 N2 O -","- C104 H96 N8 O4 -","4","1","PA1155","Pèpe, G.; Laréginie, P.; Samat, A.; Guglielmetti, R.; Zaballos, E.","8-Methylspiro(<i>syn</i>-10,11-benzo-8-azatricyclo[5.2.2.0^1,5^]undec-10-ene)-9,3'-[3<i>H</i>]naphth[1,2-<i>b</i>][1,4]oxazine","Acta Crystallographica Section C","1995","51","8","1617","1619","10.1107/S0108270195000205","","","1.5418","CuKα","","0.0442","0.0442","","0.0442","0.0442","","","","","0.71","0.71","","","","","has coordinates","198477","2020-10-21","18:00:00",""
"2003841","7.957","0.005","11.92","0.003","21.533","0.003","90","","99.72","0.01","90","","2013","1.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-ethoxy-2-methylspiro(syn-5,6-benzo-2-azabicyclo[2,2,2] octane-3,3'-[3H]naphth[2,1,b][1,4]oxazine)","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C100 H96 N8 O8 -","4","1","PA1159","Reboul, J.-P.; Samat, A.; Laréginie, P.; Lokshin, V.; Guglielmetti, R.; Pèpe, G.","Photochromic 8-Ethoxy-2-methylspiro(<i>syn</i>-5,6-benzo-2-azabicyclo[2.2.2]oct-5-ene-3,3'-[3<i>H</i>]naphth[2,1-<i>b</i>][1,4]oxazine)","Acta Crystallographica Section C","1995","51","8","1614","1617","10.1107/S0108270195000229","","","1.5418","CuKα","","0.052","0.052","","0.052","0.052","","","","0.19","0.19","0.19","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2003842","9.299","0.003","9.592","0.004","13.263","0.005","79.42","0.03","69.85","0.03","62.55","0.03","985.1","0.7","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H18 S2 -","- C27 H18 S2 -","- C54 H36 S4 -","2","1","PA1161","Leino, R. P.; Luttikhedde, H. J. G.; Nasman, J. H.; Ahlgrén, M.; Pakkanen, T.","Dispiro(fluorene-9,4'-[1,3]dithiolane-5',9''-fluorene)","Acta Crystallographica Section C","1995","51","8","1593","1594","10.1107/S010827019500165X","","","0.71073","MoKα","","","0.047","","","0.047","","","","","1.153","1.153","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003843","10.233","0.002","18.605","0.003","19.9","0.003","90","","101.19","0.01","90","","3716.6","1.1","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,4,5,8-hexakis-trimethylsilyl-1,2,3,4,5,8-hexahydro-naphthalene.","","- C28 H62 Si6 -","- C28 H62 Si6 -","- C112 H248 Si24 -","4","1","PA1172","Leger, J. M.; Grignon-Dubois, M.; Laguerre, M.","1,2,3,4,5,8-Hexakis(trimethylsilyl)-1,2,3,4,5,8-hexahydronaphthalene: the First Example of Double-<i>peri</i> Trimethylsilyl Substitution","Acta Crystallographica Section C","1995","51","8","1665","1667","10.1107/S0108270195002484","","","1.5418","CuKα","","","0.051","","","0.072","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003844","5.916","0.001","13.808","0.002","35.841","0.005","90","","90","","90","","2927.8","0.8","290","","","","","","","","","","grown from EtOAc","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 Br O4 -","- C34 H33 Br O4 -","- C136 H132 Br4 O16 -","4","1","PT1000","Gao, Q.; Yu, K.-L.; Mansuri, M. M.; Kerns, E. H.; Starrett, Jnr, J. E.","Methyl 6-[(4-Bromobenzoyloxy)(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthyl)methyl]-2-naphthalenecarboxylate","Acta Crystallographica Section C","1995","51","8","1672","1675","10.1107/S0108270195001958","","","1.5418","CuKα","","","0.045","","","0.057","","","","","1.643","1.643","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003845","6.169","0.002","6.894","0.002","12.797","0.002","90","","101.98","0.03","90","","532.4","0.3","293","","","","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C10 H11 N3 O4 -","- C10 H11 N3 O4 -","- C20 H22 N6 O8 -","2","1","VJ1016","Das, A. K.; Mazumdar, S. K.","3'-Isocyano-2',3'-dideoxyuridine (NCddUrd): a Nucleoside Analogue","Acta Crystallographica Section C","1995","51","8","1652","1654","10.1107/S0108270195000114","","","1.54184","CuKα","","","0.037","","","0.04","","","","","1.161","1.161","","","","","has coordinates","198478","2020-10-21","18:00:00",""
"2003846","5.333","0.002","23.891","0.006","9.876","0.002","90","","101.68","0.02","90","","1232.3","0.6","298","","","","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O3 -","- C21 H17 O3 -","- C84 H68 O12 -","4","1","AB1213","Kendi, E.; Özbey, S.; Ertan, R.; Fun, H.-K.; Yip, B.-C.","7-Hydroxyflavanone (I) and 7-Ethoxycarbonylmethoxyflavanone (II)","Acta Crystallographica Section C","1995","51","9","1880","1883","10.1107/S0108270195002940","","","0.71073","MoKα","","","0.0601","","","0.0766","","","","","2.07","2.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003847","7.238","0.003","7.822","0.003","29.518","0.013","90","","90.48","0.04","90","","1671.1","1.2","298","","","","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","AB1213","Kendi, E.; Özbey, S.; Ertan, R.; Fun, H.-K.; Yip, B.-C.","7-Hydroxyflavanone (I) and 7-Ethoxycarbonylmethoxyflavanone (II)","Acta Crystallographica Section C","1995","51","9","1880","1883","10.1107/S0108270195002940","","","0.71073","MoKα","","","0.0528","","","0.0474","","","","","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003848","7.879","0.003","16.867","0.006","11.826","0.004","90","","100.35","0.03","90","","1546","1","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 I Ir O S -","- C14 H22 I Ir O S -","- C56 H88 I4 Ir4 O4 S4 -","4","1","AB1226","Terblans, Y. M.; Basson, S. S.; Purcell, W.; Lamprecht, G. J.","(η^4^-1,5-Cyclooctadiene)(iodo)(methyl)(thioacetylacetonato)iridium(III)","Acta Crystallographica Section C","1995","51","9","1748","1750","10.1107/S010827019500254X","","","0.71073","MoKα","","","0.044","","","0.054","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003849","6.593","0.004","10.237","0.005","20.219","0.01","90","","90","","90","","1364.6","1.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R,3S,4S) 1-[(1S)-1-phenylethyl]-3-hydroxy-2-hydroxymethyl-4-methyl pyrrolidine","","- C14 H21 N O2 -","- C14 H21 N O2 -","- C56 H84 N4 O8 -","4","1","AB1230","Chiaroni, A.; Riche, C.; Nicole, L.","(2<i>R</i>,3<i>S</i>,4<i>S</i>)-3-Hydroxy-4-methyl-1-[(1<i>S</i>)-1-phenylethyl]pyrrolidine-2-methanol","Acta Crystallographica Section C","1995","51","9","1859","1861","10.1107/S0108270194015027","","","1.5418","CuKα","","","0.036","","","0.049","","","","","0.64","0.64","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2003850","6.799","0.002","10.4","0.002","22.909","0.005","90","","96.86","0.02","90","","1608.3","0.7","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1-Methylimidazolinylidene(1,3-dimethylimidazolinylidene) gold(I) trifluoromethanesufonate","","- C10 H14 Au F3 N4 O3 S -","- C10 H14 Au F3 N4 O3 S -","- C40 H56 Au4 F12 N16 O12 S4 -","4","1","AB1233","Kruger, G. J.; Olivier, P. J.; Lindeque, L.; Raubenheimer, H. G.","(1,3-Dimethylimidazolinylidene)(1-methylimidazolinylidene)gold(I) Trifluoromethanesulfonate","Acta Crystallographica Section C","1995","51","9","1814","1816","10.1107/S0108270195003167","","","0.7093","MoKα","","0.145","0.057","","0.049","0.04","","","","2.082","2.045","2.045","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003851","6.015","0.002","8.052","0.003","14.387","0.005","98.83","0.03","94.21","0.03","108.65","0.03","646.8","0.4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 N O4 S -","- C15 H9 N O4 S -","- C30 H18 N2 O8 S2 -","2","1","AB1240","Lamiot, J.; Baert, F.; Taverne, T.; Houssin, R.; Lesieur, I.","4-(2-Carboxybenzoyl)-2(3<i>H</i>)-benzothiazolone","Acta Crystallographica Section C","1995","51","9","1912","1915","10.1107/S0108270195003179","","","0.71073","MoKα","","","0.0496","","","0.0557","","","","","1.62","1.62","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003852","16.037","0.003","8.769","0.004","12.804","0.003","90","","90","","90","","1800.6","1","153","","","","","","","","","","see text","4","C m c 21","C 2c -2","36","","","","- C14 H21 B10 P -","- C14 H21 B10 P -","- C56 H84 B40 P4 -","4","0.5","AB1245","Kivekäs, R.; Teixidor, F.; Viñas, C.; Nuñez, R.","1-Diphenylphosphino-1,2-dicarba-<i>closo</i>-dodecaborane(12) at 153 K","Acta Crystallographica Section C","1995","51","9","1868","1870","10.1107/S0108270195002605","","","0.71073","MoKα","","","0.062","","","0.045","","","","","1.253","1.253","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003853","18.278","0.012","13.866","0.007","13.52","0.005","90","","90","","90","","3427","3","193","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H27 B10 P -","- C9 H27 B10 P -","- C72 H216 B80 P8 -","8","1","AB1246","Kivekäs, R.; Sillanpää, R.; Teixidor, F.; Viñas, C.; Nuñez, R.; Abad, M.","1-Diisopropylphosphino-2-methyl-1,2-dicarba-<i>closo</i>-dodecaborane(12), (1), and 1,2-Bis(diisopropylphosphino)-1,2-dicarba-<i>closo</i>-dodecaborane(12), (2), at 193 K","Acta Crystallographica Section C","1995","51","9","1864","1868","10.1107/S0108270195002629","","","0.71073","MoKα","","","0.095","","","0.082","","","","","1.442","1.442","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003854","10.254","0.005","17.128","0.006","13.717","0.006","90","","104.39","0.04","90","","2333.5","1.8","193","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H38 B10 P2 -","- C14 H38 B10 P2 -","- C56 H152 B40 P8 -","4","1","AB1246","Kivekäs, R.; Sillanpää, R.; Teixidor, F.; Viñas, C.; Nuñez, R.; Abad, M.","1-Diisopropylphosphino-2-methyl-1,2-dicarba-<i>closo</i>-dodecaborane(12), (1), and 1,2-Bis(diisopropylphosphino)-1,2-dicarba-<i>closo</i>-dodecaborane(12), (2), at 193 K","Acta Crystallographica Section C","1995","51","9","1864","1868","10.1107/S0108270195002629","","","0.71073","MoKα","","","0.053","","","0.05","","","","","1.594","1.594","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003855","12.353","0.002","12.353","0.002","12.931","0.002","90","","90","","120","","1708.9","0.5","291","2","291","2","","","","","","","","3","R -3 :H","-R 3","148","octachlorosilasesquioxane","","","- Cl8 O12 Si8 -","- Cl8 O12 Si8 -","- Cl24 O36 Si24 -","3","0.166667","AB1255","Törnroos, K. W.; Calzaferri, G.; Imhof, R.","Octachlorosilasesquioxane, Cl~8~Si~8~O~12~","Acta Crystallographica Section C","1995","51","9","1732","1735","10.1107/S0108270195004410","","","0.71073","MoKα","","0.2354","0.0459","","0.1246","0.07","","","","1.041","1.184","1.184","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003856","8.3218","0.0005","15.1916","0.0012","14.9796","0.0009","90","","102.43","0.01","90","","1849.4","0.2","153","2","153","2","","","","","","","Adolfsson et al.","6","P 1 21/n 1","-P 2yn","14","","trichloro[tris(2-pyridyl)methanol]rhodium(III).MeOH","","- C17 H17 Cl3 N3 O2 Rh -","- C17 H17 Cl3 N3 O2 Rh -","- C68 H68 Cl12 N12 O8 Rh4 -","4","1","AB1264","Ertan, A.; Adolfsson, H.; Moberg, C.","Trichloro[tris(2-pyridyl)methanol]rhodium(III)‒Methanol (1/1)","Acta Crystallographica Section C","1995","51","9","1761","1765","10.1107/S0108270195002939","","","0.71069","MoKα","","0","0.0301","","0","0.0334","","","","","","","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2003857","20.019","0.004","6.878","0.001","8.923","0.002","90","","112.87","0.03","90","","1132","0.5","293","2","293","2","","","","","","","Methylation of uridine.","4","C 1 2 1","C 2y","5","3-methyluridine","","","- C10 H14 N2 O6 -","- C10 H14 N2 O6 -","- C40 H56 N8 O24 -","4","1","AB1267","Partridge, B. L.; Pritchard, C. E.","Two Methylated Ribonucleosides: 3-Methyluridine and 1-Methylinosine","Acta Crystallographica Section C","1995","51","9","1929","1932","10.1107/S0108270195003933","","","0.71073","MoKα","","0.0442","0.0345","","0.1254","0.1029","","","","1.141","0.946","0.946","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003858","10.622","0.002","13.662","0.003","16.525","0.003","90","","90","","90","","2398.1","0.8","293","2","293","2","","","","","","","Methylation of inosine.","4","P 21 21 21","P 2ac 2ab","19","1-methylinosine","","","- C11 H14 N4 O5 -","- C11 H14 N4 O5 -","- C88 H112 N32 O40 -","8","2","AB1267","Partridge, B. L.; Pritchard, C. E.","Two Methylated Ribonucleosides: 3-Methyluridine and 1-Methylinosine","Acta Crystallographica Section C","1995","51","9","1929","1932","10.1107/S0108270195003933","","","1.54178","CuKα","","0.076","0.05","","0.1668","0.1287","","","","1.084","0.98","0.98","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003859","17.729","0.011","13.521","0.013","23.842","0.006","90","","114.64","0.02","90","","5195","6","296","","296","","","","","","","","Chloroform solution","4","C 1 2/c 1","-C 2yc","15","","dipotassium bis(2-[[2-[2-[2-[2-(2-hydroxyethoxy)]- phenoxy]ethoxy]phenoxy]ethoxy]methyl]benzoate) trihydrate","","- C52 H62 K2 O20 -","- C52 H52 K2 O24 -","- C208 H208 K8 O96 -","4","0.5","AS1158","Kasuga, N. C.; Yamaguchi, K.; Ohashi, Y.","Potassium Salt of a Synthetic Carboxylic Ionophore","Acta Crystallographica Section C","1995","51","9","1816","1819","10.1107/S0108270195003283","","","1.5418","CuKα","","","0.051","","","0.065","","","","","1.703","1.703","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003860","9.557","0.001","13.58","0.001","8.29","0.001","90.819","0.007","112.97","0.01","97.737","0.007","978.95","0.19","295","","","","","","","","","","recrystallized from ethanol solution","4","P -1","-P 1","2","","","","- C20 H28 N4 O2 -","- C20 H28 N4 O2 -","- C40 H56 N8 O4 -","2","1","AS1162","Nagahara, Y.; Hirayama, N.; Matsumiya, S.; Kono, M.; Shimada, J.; Suzuki, F.","8-(Noradamantan-3-yl)-1,3-dipropylxanthine","Acta Crystallographica Section C","1995","51","9","1955","1957","10.1107/S0108270195004021","","","1.54184","CuKα","","","0.076","","","0.0815","","","","","0.801","0.801","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003861","7.64","0.001","8.804","0.001","32.126","0.002","90","","98.28","0.01","90","","2138.4","0.4","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2:1 theophylline-5FU complex H2O","","","- C18 H21 F N10 O7 -","- C18 H21 F N10 O7 -","- C72 H84 F4 N40 O28 -","4","1","AS1172","Zaitu, S.; Miwa, Y.; Taga, T.","A 2:1 Molecular Complex of Theophylline and 5-Fluorouracil as the Monohydrate","Acta Crystallographica Section C","1995","51","9","1857","1859","10.1107/S0108270195003295","","","1.54178","CuKα","","","0.059","","","0.072","","","","","1.19","1.19","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2003862","10.872","0.001","14.559","0.001","12.674","0.001","90","","100.27","0.01","90","","1974","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Phenyl-4-(2'-thienyl)-5,5-dicarbethoxypyrrolidin-2-one.","","- C20 H21 N O5 S -","- C20 H20.867 N O5 S -","- C80 H83.468 N4 O20 S4 -","4","1","AS1174","Kandasamy, S.; Fun, H.-K.; Ray, J. K.; Roy, B. C.; Nigam, G. D.","Diethyl 5-Oxo-1-phenyl-3-(2-thienyl)pyrrolidine-2,2-dicarboxylate, C~20~H~21~NO~5~S","Acta Crystallographica Section C","1995","51","9","1942","1944","10.1107/S0108270195003362","","","0.71073","MoKα","","0.073","0.0425","","0.1183","0.1071","","","","0.936","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003863","7.6582","0.0005","23.765","0.003","5.2255","0.0003","95.68","0.007","99.073","0.005","96.759","0.007","925.88","0.14","23","","23","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H32 Cl N O -","- C17 H32 Cl N O -","- C34 H64 Cl2 N2 O2 -","2","1","AS1176","Vongbupnimit, K.; Noguchi, K.; Okuyama, K.","1-Dodecylpyridinium Chloride Monohydrate","Acta Crystallographica Section C","1995","51","9","1940","1941","10.1107/S0108270195004537","","","1.5418","CuKα","","","0.063","","","0.073","","","","","9.33","9.33","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003864","9.0653","0.0005","11.1733","0.0006","11.8981","0.0007","90","","91.253","0.005","90","","1204.86","0.12","296","","","","","","","","","","crystallized by slow evaporation from CH~2~Cl~2~/CH~3~OH","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H17 I N O3 P -","- C7 H17 I N O3 P -","- C28 H68 I4 N4 O12 P4 -","4","1","BK1019","Kumaravel, G.; Gandour, R. D.; Fronczek, F. R.","2,6,6-Trimethyl-2-oxo-1,3-dioxa-6-azonia-2-phosphocyclooctane Iodide","Acta Crystallographica Section C","1995","51","9","1919","1921","10.1107/S0108270195003556","","","0.71073","MoKα","","","0.033","","","0.04","","","","","2.074","2.074","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003865","22.662","0.005","7.671","0.001","18.443","0.001","90","","99.6","0.01","90","","3161.2","0.8","296","","","","","","","","","","National Cancer Institute, NSC 353648","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C144 H160 O32 -","8","1","BK1028","Ala, P.; Yang, D. S. C.","6-[1-(4-Ethoxyphenyl)ethyl]-5-methoxy-1,3-benzodioxole","Acta Crystallographica Section C","1995","51","9","1917","1919","10.1107/S0108270195003647","","","1.54178","CuKα","","","0.05","","","0.061","","","","","1.41","1.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003866","9.556","0.003","18.694","0.004","18.465","0.002","90","","95.77","0.01","90","","3281.9","1.3","295","1","295","5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 O8 Ru3 -","- C36 H20 O8 Ru3 -","- C144 H80 O32 Ru12 -","4","1","BK1098","Capparelli, M. V.; De Sanctis, Y.; Arce, A. J.","Alkyne Coupling Induced by a Trinuclear Ruthenium Cluster: Synthesis and Structure of Di-μ-carbonyl-hexacarbonyl-μ~3~-(1,2,3,4-tetraphenyl-1,3-butadiene-1,4-diyl)-triruthenium(2 <i>Ru</i>—<i>Ru</i>), [Ru~3~(CO)~8~(C~4~Ph~4~)]","Acta Crystallographica Section C","1995","51","9","1819","1822","10.1107/S0108270195002861","","","0.7107","MoKα","","","0.0336","","","0.049","","","","","2.012","2.012","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003867","11.984","0.002","8.769","0.001","16.215","0.002","90","","91.24","0.02","90","","1703.6","0.4","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O4 S -","- C18 H17 N O4 S -","- C72 H68 N4 O16 S4 -","4","1","BK1102","Kumaradhas, P.; Nirmala, K. A.; Ravikumar, K.","<i>trans</i>-(±)-2-(4-Methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl Acetate","Acta Crystallographica Section C","1995","51","9","1932","1934","10.1107/S0108270195002654","","","0.7106","MoKα","","","0.039","","","0.048","","","","","0.91","0.91","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2003868","10.848","0.001","10.974","0.001","14.109","0.002","100.93","0.01","104.05","0.01","90.05","0.01","1597.9","0.3","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 Br N -","- C18 H24 Br N -","- C72 H96 Br4 N4 -","4","2","BK1104","Patrick, G. L.; Willis, A. C.","(±)-(4aα,4bβ,10bβ,12aβ)-9-Bromo-2-methyl-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-<i>f</i>]isoquinoline Formed from the Acid-Catalyzed Cyclization of 5-[2-(4-Bromophenyl)ethyl]-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline","Acta Crystallographica Section C","1995","51","9","1937","1940","10.1107/S0108270195004975","","","0.71073","MoKα","","","0.039","","","0.048","","","","","1.56","1.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003869","5.0037","0.0007","10.594","0.0014","35.728","0.005","90","","93.689","0.011","90","","1890","0.5","298","","","","","","","","","","electrocrystallization","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Ag F12 S16 -","- C28 H24 Ag F12 S16 -","- C56 H48 Ag2 F24 S32 -","2","0.5","BK1111","Geiser, U.; Schlueter, J. A.; Dudek, J. D.; Williams, J. M.; Naumann, D.; Roy, T.","Non-Superconducting Phase of Bis(3,4;3',4'-ethylenedithio)-2,2',5,5'-tetrathiafulvalene‒Tetrakis(trifluoromethyl)argentate(III) (2/1), (BEDT-TTF)~2~[Ag(CF~3~)~4~]","Acta Crystallographica Section C","1995","51","9","1779","1782","10.1107/S0108270195003064","","","0.7107","MoKα","","","0.039","","","0.038","","","","","1.85","1.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003870","13.782","0.001","29.581","0.002","5.502","0.003","90","","90","","90","","2243.1","1.2","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,3,4,6-tetra-O-acetyl-N-β-D-glucopyranosyl-S-phenylsulfenamide","","- C20 H25 N O9 S -","- C20 H25 N O9 S -","- C80 H100 N4 O36 S4 -","4","1","BM1001","Lee, C. K.; Linden, A.; Vasella, A.","<i>N</i>-<small>D</small>-Glucopyranosyl-<i>S</i>-phenylsulfenamide: Structure and Evaluation as a Novel β-Glucosidase Inhibitor","Acta Crystallographica Section C","1995","51","9","1906","1910","10.1107/S0108270195005944","","","0.71073","MoKα","","0.0794","0.0452","","0.045","0.0416","","","","","1.505","1.505","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003871","9.3352","0.0006","19.2342","0.001","9.3903","0.0007","90","","93.039","0.006","90","","1683.71","0.19","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine","","- C18 H21 N5 -","- C18 H21 N5 -","- C72 H84 N20 -","4","1","BM1002","Dupont, L.; Liégeois, J.-F.; Rogister, F.; Delarge, J.","3-Methyl-6-(4-methylpiperazin-1-yl)-11<i>H</i>-pyrido[2,3-<i>b</i>][1,4]benzodiazepine","Acta Crystallographica Section C","1995","51","9","1889","1891","10.1107/S0108270195003337","","","1.5418","CuKα","","0.0775","0.0385","","0.1043","0.094","","","","0.897","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003872","6.721","0.001","9.002","0.002","22.914","0.005","90","","91.46","0.03","90","","1385.9","0.5","150","2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cyclohepta-3,5-dien-1-yl 3',5'-dinitrobenzoate","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","BM1005","Allen, F. H.; Howard, J. A. K.; Pitchford, N. A.; Steel, P. G.","Cyclohepta-3,5-dien-1-yl 3,5-Dinitrobenzoate","Acta Crystallographica Section C","1995","51","9","1946","1949","10.1107/S0108270195003957","","","0.71073","MoKα","","0.1115","0.0518","","0.2078","0.1431","","","","1.063","1.168","1.168","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003873","15.307","0.003","7.018","0.001","17.014","0.006","90","","107.61","0.02","90","","1742.1","0.8","140","0.2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Methoxy-3-(3'4'5'-trimethoxyphenyl)-5,6-methylenedioxy-1,3- dihydroisobenzofuran","","- C19 H20 O7 -","- C19 H20 O7 -","- C76 H80 O28 -","4","1","BM1006","Hibbs, D. E.; Hursthouse, M. B.; Malik, K. M. A.; Ward, R. S.; Pelter, A.; Qianrong, L.","1-Methoxy-5,6-methylenedioxy-3-(3,4,5-trimethoxyphenyl)-1,3-dihydroisobenzofuran","Acta Crystallographica Section C","1995","51","9","1891","1893","10.1107/S0108270195004689","","","0.71069","MoKα","","0.0571","0.0363","","0.1137","0.0852","","","","0.52","0.515","0.515","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003874","12.069","0.001","12.6","0.002","13.556","0.002","87.97","0.01","67.36","0.01","80.19","0.01","1873.7","0.5","150","0.2","150","2","","","","","","","","8","P -1","-P 1","2","","aquacarbonylbis(triphenylarsine)rhodium(I) tetrafluoroborate dichloromethane (1/1)","","- C38 H34 As2 B Cl2 F4 O2 Rh -","- C38 H34 As2 B Cl2 F4 O2 Rh -","- C76 H68 As4 B2 Cl4 F8 O4 Rh2 -","2","1","BM1007","Hursthouse, M. B.; Malik, K. M. A.; Evans, E. W.; Howlader, M. B. H.; Atlay, M. T.","<i>trans</i>-Aquacarbonylbis(triphenylarsine)rhodium(I) Tetrafluoroborate Dichloromethane Solvate (1/1)","Acta Crystallographica Section C","1995","51","9","1782","1784","10.1107/S0108270195004082","","","0.71069","MoKα","","0.0568","0.0287","","0.1209","0.0724","","","","0.341","0.302","0.302","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2003875","6.8923","0.0011","12.836","0.002","17.387","0.003","90","","90","","90","","1538.2","0.4","240","2","240","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-(4''-methylphenyl)(2'R,4R)-2'-bromo-2'-(2,2-dimethyl-1,3-dioxolan- 4-yl)ethanethiolate","","- C14 H17 Br O3 S -","- C14 H17 Br O3 S -","- C56 H68 Br4 O12 S4 -","4","1","BM1008","Clegg, W.; Dunbar, J. M.; Elsegood, M. R. J.; Jackson, R. F. W.; Palmer, N. J.","Two Products of Ring Opening Reactions of an Arylthionitrooxirane","Acta Crystallographica Section C","1995","51","9","1950","1953","10.1107/S0108270195004276","","","0.71073","MoKα","","0.0616","0.0372","","0.1059","0.0926","","","","1.071","1.067","1.067","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003876","5.584","0.002","9.042","0.003","10.902","0.003","77.06","0.03","78.75","0.02","87.98","0.03","526.1","0.3","160","2","160","2","","","","","","","","5","P 1","P 1","1","","S-(4''-methylphenyl)(2'R,4S)-2'-(benzyloxycarbonylamino)- 2'-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanethiolate","","- C22 H25 N O5 S -","- C22 H25 N O5 S -","- C22 H25 N O5 S -","1","1","BM1008","Clegg, W.; Dunbar, J. M.; Elsegood, M. R. J.; Jackson, R. F. W.; Palmer, N. J.","Two Products of Ring Opening Reactions of an Arylthionitrooxirane","Acta Crystallographica Section C","1995","51","9","1950","1953","10.1107/S0108270195004276","","","0.71073","MoKα","","0.049","0.0431","","0.1246","0.1158","","","","1.121","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003877","10.671","0.001","11.218","0.001","15.953","0.002","106.35","0.01","105.14","0.01","98.66","0.01","1716.3","0.4","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cs6 H14 Mo7 O31 -","- Cs6 Mo7 O31 -","- Cs12 Mo14 O62 -","2","1","BR1105","Kortz, U.; Pope, M. T.","Cs~6~[Mo~7~O~24~].7H~2~O","Acta Crystallographica Section C","1995","51","9","1717","1719","10.1107/S010827019500494X","","","0.71073","MoKα","","","0.05","","","0.132","","","","","1.123","1.123","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003878","20.569","0.008","11.3","0.006","19.179","0.007","90","0.03","96.21","0.02","90","0.04","4432","3","100","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","7,16-dihydro-2,3,6,8,11,12,15,17-octamethyldibenzo[b,i][1,4,8,11]- tetraazacyclotetradecine","","- C26 H32 N4 -","- C26 H32 N4 -","- C208 H256 N32 -","8","1","CR1112","Buzatu, D. A.; Nolan, S. P.; Stevens, E. D.","An Octamethyldibenzotetraaza[14]annulene","Acta Crystallographica Section C","1995","51","9","1855","1857","10.1107/S0108270194014708","","","0.71073","MoKα","","","0.037","","","0.044","","","","","1.911","1.911","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2003879","8.871","0.002","7.397","0.002","20.393","0.004","90","","93.83","0.02","90","","1335.2","0.5","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H20 N4 O4 -","- C9 H20 N4 O4 -","- C36 H80 N16 O16 -","4","1","CR1118","Zhou, K.-J.; Di Maio, G.; Portalone, G.; Li, S.","4-Acetamidocyclohexanone Semicarbazone Dihydrate","Acta Crystallographica Section C","1995","51","9","1844","1846","10.1107/S0108270195002137","","","0.71069","MoKα","","","0.064","","","0.066","","","","","1.79","1.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003880","6.2543","0.0001","6.2543","0.0001","12.332","0.0003","90","","90","","120","","417.755","0.014","295","","295","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","SrTa4O11","","- O11 Sr Ta4 -","- O11 Sr Ta4 -","- O22 Sr2 Ta8 -","2","0.166667","CR1170","Heunen, G. W. J. C.; IJdo, D. J. W.; Helmholdt, R. B.","SrTa~4~O~11~: a Rietveld Refinement Using Neutron Powder Diffraction Data","Acta Crystallographica Section C","1995","51","9","1723","1725","10.1107/S0108270195004264","","neutron","2.57167","Neutron","","0.0243","","","0.031","","","","","1.79","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003881","18.499","0.004","6.2149","0.0009","26.45","0.01","90","","103.16","0.03","90","","2961.1","1.4","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C136 H160 N16 O16 -","8","2","CR1197","Marsh, R. E.","On the Structure of (13-Methyl-1,4,7,8,13,13b-hexahydro[1',2']oxazepino[2',3':1,2]pyrido[3,4-<i>b</i>]indol-1-yl)methanol","Acta Crystallographica Section C","1995","51","9","1957","1958","10.1107/S0108270195006032","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003882","14.285","0.007","14.285","0.007","7.227","0.003","90","","90","","90","","1474.8","1.2","370","","370","","","","","","","","melting and slow cooling","3","I 4/m","-I 4","","","","","- Al3 F19 Pb5 -","- Al3 F19 Pb5 -","- Al12 F76 Pb20 -","4","0.25","DU1109","Sarraute, S.; Ravez, J.; Bravic, G.; Chasseau, D.; Abrahams, S. C.","Paraelastic Pb~5~Al~3~F~19~ at 370 K","Acta Crystallographica Section C","1995","51","9","1731","1732","10.1107/S0108270195001879","","","0.71073","MoKα","","","0.053","","","0.058","","","","","1.12","1.12","","","","","has coordinates","281832","2023-03-13","07:39:36",""
"2003883","9.526","0.002","10.194","0.002","16.391","0.004","90","","90","","90","","1591.7","0.6","293","2","293","2","","","","","","","from benzene","5","P 21 21 21","P 2ac 2ab","19","","2-(diphenylphosphine sulfide)cyclohexanone","","- C18 H19 O P S -","- C18 H19 O P S -","- C72 H76 O4 P4 S4 -","4","1","DU1112","Boukraa, M.; Jouini, T.; Barkallah, S.; Ben Akacha, A.; Zantour, H.; Baccar, B.","Diphenyl(2-oxocyclohexyl)phosphine Sulfide","Acta Crystallographica Section C","1995","51","9","1851","1853","10.1107/S0108270195001557","","","0.71069","MoKα","","0.0577","0.0503","","0.1313","0.1257","","","","1.058","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003884","6.2983","0.0003","9.5537","0.0009","10.4499","0.0006","90","","90","","90","","628.79","0.08","293","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- K4 O12 Si4 Zn2 -","- K4 O12 Si4 Zn2 -","- K8 O24 Si8 Zn4 -","2","0.25","DU1113","Hogrefe, A. R.; Czank, M.","Synthetic Dipotassium Zinc Disilicate","Acta Crystallographica Section C","1995","51","9","1728","1730","10.1107/S0108270195003052","","","0.71069","MoKα","","","0.0541","","","0.0365","","","","","6.016","6.016","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003885","8.641","0.001","8.76","0.001","24.335","0.003","90","","90","","90","","1842","0.4","293","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- Cr0.4 Li1.14 Nb0.93 O12 P3 Sc0.67 -","- Cr0.394 Li1.5 Nb0.932 O12 P3 Sc0.674 -","- Cr3.152 Li12 Nb7.456 O96 P24 Sc5.392 -","8","1","DU1115","Rivier, S.; Angenault, J.; Couturier, J.-C.; Robert, F.; Quarton, M.","Li~1.14~Nb~0.93~Sc~0.67~Cr~0.40~(PO~4~)~3~","Acta Crystallographica Section C","1995","51","9","1735","1737","10.1107/S0108270195003088","","","0.71069","MoKα","","","0.03","","","0.033","","","","","2.54","2.54","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2003886","6.7156","0.0005","9.8164","0.0007","10.098","0.0005","66.884","0.004","73.282","0.005","73.301","0.006","574.76","0.07","293","2","293","2","","","","","","","synth\`ese","5","P -1","-P 1","2","","Orthophénylènediammonium Bis(dihydrogénophosphate)","","- C6 H14 N2 O8 P2 -","- C6 H14 N2 O8 P2 -","- C12 H28 N4 O16 P4 -","2","1","DU1120","Soumhi, E. H.; Jouini, T.","Orthophénylènediammonium Bis(dihydrogénophosphate)","Acta Crystallographica Section C","1995","51","9","1883","1885","10.1107/S0108270195004173","","","0.71069","MoKα","","0.0341","0.0304","","0.0815","0.0793","","","","1.08","1.112","1.112","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003887","10.92","0.001","16.409","0.003","7.753","0.006","90","","93.89","0.03","90","","1386","1.1","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(H)N2-ethyl]CoCl~3~","Trichloro [N-(2-benzimidazolylmethyl)ethylammonium-N']cobalt(II)","","- C10 H14 Cl3 Co N3 -","- C10 H14 Cl3 Co N3 -","- C40 H56 Cl12 Co4 N12 -","4","1","FG1022","Cooley, J. A.; Kamaras, P.; Rapta, M.; Jameson, G. B.","Trichloro[(1<i>H</i>-benzimidazol-2-ylmethyl)(ethyl)ammonium-<i>N</i>^3^]cobalt(II)","Acta Crystallographica Section C","1995","51","9","1811","1813","10.1107/S0108270195003349","","","0.71073","MoKα","","0.0329","0.03","","0.0861","0.0817","","","","1.046","1.058","1.058","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003888","12.06","0.003","10.027","0.008","8.046","0.002","76.36","0.05","89.08","0.02","66.09","0.04","860.9","0.8","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H20 Cl3 N2 Na O9 Zn2 -","- C37 H16 Cl3 N2 Na O9 Zn2 -","- C37 H16 Cl3 N2 Na O9 Zn2 -","1","0.5","FG1024","Davies, P. J.; Taylor, M. R.; Wainwright, K. P.; Kobus, H. J.","Zinc(II) Chloride‒Methanol Complex of 2-[(1,3-Dihydro-1,3-dioxo-2<i>H</i>-inden-2-ylidene)amino]-1<i>H</i>-indene-1,3(2<i>H</i>)-dionate(1‒) Sodium Salt: a Complex of Ruhemann's Purple","Acta Crystallographica Section C","1995","51","9","1802","1805","10.1107/S0108270195003325","","","0.7107","MoKα","","0.058","0.048","","0.048","0.041","","","","3.9","3.624","3.624","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2003889","6.591","0.004","12.222","0.002","17.254","0.004","90","","96.78","0.03","90","","1380.2","0.9","293","","293","","","","","","","","Crystals were obtained by slow evaporation of an aqueous solution that was 0.64 M in each of zinc(II) chloride, hydrochloric acid and purine.","5","C 1 c 1","C -2yc","9","","Dichlorobis(purine)zinc(II)","","- C10 H8 Cl2 N8 Zn -","- C10 H8 Cl2 N8 Zn -","- C40 H32 Cl8 N32 Zn4 -","4","1","FG1031","Laity, H. L.; Taylor, M. R.","Dichlorobis(purine)zinc(II)","Acta Crystallographica Section C","1995","51","9","1791","1793","10.1107/S0108270195004227","","","0.71073","MoKα","","0.047","0.04","","0.034","0.033","","","","1.391","1.443","1.443","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003890","7.194","0.001","11.741","0.002","10.63","0.002","90","","97.08","0.01","90","","891","0.3","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 N8 P2 Pt -","- C14 H24 N8 P2 Pt -","- C28 H48 N16 P4 Pt2 -","2","0.5","FG1042","Assefa, Z.; McBurnett, B. G.; Staples, R. J.; Fackler, Jnr, J. P.","<i>trans</i>-Dicyanobis(1,3,5-triaza-7-phosphaadamantane)platinum(II), [(TPA)~2~Pt(CN)~2~]","Acta Crystallographica Section C","1995","51","9","1742","1743","10.1107/S0108270195002915","","","0.71073","MoKα","","","0.0331","","","0.0442","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003891","11.154","0.002","15.059","0.003","14.641","0.003","90","","90.37","0.02","90","","2459.2","0.8","173","2","173","2","","","","","","","tetrahydrofuran","6","P 1 21/c 1","-P 2ybc","14","","1,1'-Bis(trimethylsilyl)ferrocenium Aluminum Tetrachloride","","- C16 H26 Al Cl4 Fe Si2 -","- C16 H26 Al Cl4 Fe Si2 -","- C64 H104 Al4 Cl16 Fe4 Si8 -","4","1","FG1056","Foucher, D. A.; Honeyman, C. H.; Lough, A. J.; Manners, I.; Nelson, J. M.","1,1'-Bis(trimethylsilyl)ferrocenium Tetrachloroaluminate(1‒), 1,1'-Bis(trimethylsilyl)ferrocene and 1,1'-Dimethylferrocene","Acta Crystallographica Section C","1995","51","9","1795","1799","10.1107/S0108270195003155","","","0.71073","MoKα","","0.099","0.0522","","0.0808","0.0692","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003892","6.173","0.002","8.103","0.001","16.915","0.003","90","","95.69","0.02","90","","841.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-Bis(trimethylsilyl)ferrocene","","- C16 H26 Fe Si2 -","- C16 H26 Fe Si2 -","- C32 H52 Fe2 Si4 -","2","0.5","FG1056","Foucher, D. A.; Honeyman, C. H.; Lough, A. J.; Manners, I.; Nelson, J. M.","1,1'-Bis(trimethylsilyl)ferrocenium Tetrachloroaluminate(1‒), 1,1'-Bis(trimethylsilyl)ferrocene and 1,1'-Dimethylferrocene","Acta Crystallographica Section C","1995","51","9","1795","1799","10.1107/S0108270195003155","","","0.71073","MoKα","","0.0313","0.0279","","0.0819","0.08","","","","1.054","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003893","12.19","0.002","7.466","0.002","10.839","0.002","90","","103.25","0.03","90","","960.2","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1'-Dimethylferrocene","","- C12 H14 Fe -","- C12 H14 Fe -","- C48 H56 Fe4 -","4","1","FG1056","Foucher, D. A.; Honeyman, C. H.; Lough, A. J.; Manners, I.; Nelson, J. M.","1,1'-Bis(trimethylsilyl)ferrocenium Tetrachloroaluminate(1‒), 1,1'-Bis(trimethylsilyl)ferrocene and 1,1'-Dimethylferrocene","Acta Crystallographica Section C","1995","51","9","1795","1799","10.1107/S0108270195003155","","","0.71073","MoKα","","0.0724","0.0434","","0.0577","0.0523","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003894","9.126","0.001","12.631","0.001","24.532","0.004","97.32","0.01","99.59","0.01","105.46","0.01","2643.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","cis-Diethyldithiocarbamatodiiodophenyltellurium(IV)","","- C11 H15 I2 N S2 Te -","- C11 H15 I2 N S2 Te -","- C66 H90 I12 N6 S12 Te6 -","6","3","FG1060","Husebye, S.; Kudis, S.; Lindeman, S. V.; Strauch, P.","<i>cis</i>-(Diethyldithiocarbamato)diiodo(phenyl)tellurium(IV), PhTe(S~2~CNEt~2~)I~2~, and its Methoxy-Substituted Mixed Br/I Analogue <i>cis</i>-Bis(0.4-bromo/0.6-iodo)(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV), <i>p</i>-MeOC~6~H~4~Te(S~2~CNEt~2~)(Br~0.4~I~0.6~)~2~","Acta Crystallographica Section C","1995","51","9","1870","1875","10.1107/S0108270195004239","","","0.71069","MoKα","","0.0946","0.0465","","0.1411","0.1138","","","","1.076","1.221","1.221","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003895","9.9482","0.0012","10.428","0.003","11.004","0.002","66.95","0.02","65.934","0.011","75.94","0.02","954.4","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","cis-Bis(0.4bromo/0.6iodo)diethyldithiocarbamato-4-methoxyphenyltellurium(IV)","","- C12 H17 Br0.8 I1.2 N O S2 Te -","- C12 H17 Br0.8 I1.2 N O S2 Te -","- C24 H34 Br1.6 I2.4 N2 O2 S4 Te2 -","2","1","FG1060","Husebye, S.; Kudis, S.; Lindeman, S. V.; Strauch, P.","<i>cis</i>-(Diethyldithiocarbamato)diiodo(phenyl)tellurium(IV), PhTe(S~2~CNEt~2~)I~2~, and its Methoxy-Substituted Mixed Br/I Analogue <i>cis</i>-Bis(0.4-bromo/0.6-iodo)(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV), <i>p</i>-MeOC~6~H~4~Te(S~2~CNEt~2~)(Br~0.4~I~0.6~)~2~","Acta Crystallographica Section C","1995","51","9","1870","1875","10.1107/S0108270195004239","","","0.71069","MoKα","","0.0555","0.0427","","0.1492","0.1245","","","","1.059","1.108","1.108","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003896","7.374","0.004","7.469","0.004","9.598","0.004","117.57","0.03","72.19","0.04","96.81","0.04","446","0.4","293","","","","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C12 H30 Cl2 N2 Ni O6 -","- C12 H30 Cl2 N2 Ni O6 -","- C12 H30 Cl2 N2 Ni O6 -","1","0.5","HR1050","İçbudak, H.; Yilmaz, V. T.; Howie, R. A.; Andaç, Ö.; Ölmez, H.","Bis[tris(2-hydroxyethyl)amine]nickel(II) Chloride","Acta Crystallographica Section C","1995","51","9","1759","1761","10.1107/S0108270195001600","","","0.71073","MoKα","","","0.038","","","0.044","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003897","7.046","0.002","9.919","0.003","10.392","0.003","90","","109.8","0.02","90","","683.4","0.4","295","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cu2 N6 O2 S2 -","- C8 H12 Cu2 N6 O2 S2 -","- C16 H24 Cu4 N12 O4 S4 -","2","0.5","HU1106","Chen, Z. N.; Qiu, J.; Tang, W. X.; Yu, K. B.","A Dinuclear Copper(II) Complex Bridged by a <i>trans</i>-Oxamidate Ligand","Acta Crystallographica Section C","1995","51","9","1809","1811","10.1107/S0108270195002782","","","0.71073","MoKα","","","0.0288","","","0.0316","","","","","1.157","1.157","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003898","5.114","0.005","10.896","0.003","20.883","0.006","90","","90","","90","","1163.6","1.2","293","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","HU1117","Lyubchova, A.; Cossé-Barbi, A.; Doucet, J. P.; Robert, F.; Souron, J.-P.; Quarton, M.","Salicylaldehyde Benzoyl Hydrazone","Acta Crystallographica Section C","1995","51","9","1893","1895","10.1107/S0108270195003076","","","0.71069","MoKα","","","0.035","","","0.033","","","","","1.47","1.47","","","","","has coordinates","198480","2020-10-21","18:00:00",""
"2003899","16.381","0.005","6.111","0.001","5.896","0.001","90","","90","","90","","590.2","0.2","295","","295","","","","","","","","","4","P b c n","-P 2n 2ab","60","Lead(II) hydrogenselenite","Lead(II) bis(hydrogenselenate(IV))","","- H2 O6 Pb Se2 -","- O6 Pb Se2 -","- O24 Pb4 Se8 -","4","0.5","HU1127","Koskenlinna, M.; Valkonen, J.","Lead(II) Hydrogenselenite","Acta Crystallographica Section C","1995","51","9","1737","1739","10.1107/S0108270195003441","","","0.71073","MoKα","","","0.032","","","0.04","","","","","0.46","0.46","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003900","17.862","0.004","6.849","0.002","23.065","0.002","90","","102.14","0.01","90","","2758.6","1","299","1","","","","","","","","","evaporation of aqueous solution","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H13 As N6 O5 -","- C9 H9 As N6 O5 -","- C72 H72 As8 N48 O40 -","8","1","HU1147","Leonard, G. A.; Hunter, W. N.; Berger, B. J.; Fairlamb, A. H.","<i>p</i>-(4,6-Diamino-<i>s</i>-triazin-2-yl)aminophenylarsonic Acid Dihydrate","Acta Crystallographica Section C","1995","51","9","1953","1955","10.1107/S0108270195003453","","","1.5418","CuKα","","","0.075","","","0.098","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003901","8.311","0.001","17.111","0.001","20.5","0.002","90","","101.44","0.01","90","","2857.4","0.5","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H33 O5 V Zr -","- C31.5 H33 O5 V Zr -","- C126 H132 O20 V4 Zr4 -","4","1","JZ1002","Grehl, M.; Berlekamp, M.; Erker, G.","A Nine-Membered Metallacyclic Metalloxycarbene Vanadium Complex","Acta Crystallographica Section C","1995","51","9","1772","1774","10.1107/S0108270195002435","","","0.71073","MoKα","","","0.061","","","0.091","","","","","1.268","1.268","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2003902","11.783","0.001","16.365","0.004","8.981","0.001","90","","90","","90","","1731.8","0.5","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H25 Cl Cr N5 O8 -","- C10 H25 Cl Cr N5 O8 -","- C40 H100 Cl4 Cr4 N20 O32 -","4","1","JZ1012","Choi, J.-H.; Suh, I.-H.; Kwak, S.-H.","[Bis(3-aminopropyl)amine-<i>N</i>,<i>N</i>',<i>N</i>''][glycylglycinato(2‒)-<i>N</i>,<i>N</i>',<i>O</i>]chromium(III) Perchlorate Monohydrate, [Cr(C~4~H~6~N~2~O~3~)(C~6~H~17~N~3~)]ClO~4~.H~2~O","Acta Crystallographica Section C","1995","51","9","1745","1748","10.1107/S0108270195002800","","","0.71073","MoKα","","","0.0416","","","0.0416","","","","","1.4815","1.4815","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003903","12.811","0.003","10.122","0.001","13.176","0.005","90","","95.37","0.03","90","","1701.1","0.8","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Ir N O2 S -","- C17 H18 Ir N O2 S -","- C68 H72 Ir4 N4 O8 S4 -","4","1","JZ1014","Theron, M.; Basson, S. S.; Purcell, W.","(η^4^-1,5-Cyclooctadiene)(<i>N</i>-hydroxy-4-methoxy-<i>N</i>-methylthiobenzamido-<i>O</i>,<i>S</i>)iridium(I)","Acta Crystallographica Section C","1995","51","9","1750","1752","10.1107/S0108270195002666","","","0.71073","MoKα","","","0.032","","","0.032","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003904","24.699","0.002","7.343","0.001","12.748","0.002","90","","90","","90","","2312","0.5","100","2","100","2","","","","","","","ethanol","4","P c a 21","P 2c -2ac","29","","Trimethylphenyphosphoniumiodide","","- C9 H14 I P -","- C9 H14 I P -","- C72 H112 I8 P8 -","8","2","JZ1022","Schödel, H.; Näther, C.; Bock, H.","Two Trimethylphenylphosphonium Iodides","Acta Crystallographica Section C","1995","51","9","1841","1844","10.1107/S0108270194015052","","","0.71073","MoKα","","0.0343","0.0201","","0.0507","0.0481","","","","1.039","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003905","6.033","0.001","8.048","0.001","27.348","0.005","90","","91.3","0.02","90","","1327.5","0.4","100","2","100","2","","","","","","","ethanol","5","P 1 21/c 1","-P 2ybc","14","","Trimethyl(p-N,N-dimethylamino)phenylphosphoniumiodide","","- C11 H19 I N P -","- C11 H19 I N P -","- C44 H76 I4 N4 P4 -","4","1","JZ1022","Schödel, H.; Näther, C.; Bock, H.","Two Trimethylphenylphosphonium Iodides","Acta Crystallographica Section C","1995","51","9","1841","1844","10.1107/S0108270194015052","","","0.71073","MoKα","","0.0338","0.0213","","0.0555","0.0508","","","","1.024","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003906","6.846","0.001","8.076","0.001","12.741","0.002","89.99","0.01","83.09","0.01","82.77","0.01","693.67","0.17","200","2","200","2","","","","","","","dimethylsufoxide/water","5","P -1","-P 1","2","N,N'-ditosyl-p-phenylenediamine","","","- C24 H32 N2 O6 S4 -","- C24 H32 N2 O6 S4 -","- C24 H32 N2 O6 S4 -","1","0.5","JZ1032","Nagel, N.; Näther, C.; Bock, H.","<i>N</i>,<i>N</i>'-Ditosyl-<i>p</i>-phenylenediamine Bis(dimethyl sulfoxide), C~20~H~20~N~2~O~4~S~2~.2C~2~H~6~OS","Acta Crystallographica Section C","1995","51","9","1935","1937","10.1107/S0108270195004884","","","0.71073","MoKα","","0.0378","0.0316","","0.0918","0.0872","","","","1.067","1.09","1.09","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003907","8.656","0.001","11.81","0.01","13.521","0.001","78.93","0.02","82.28","0.01","86.13","0.02","1343","1.2","293","2","293","2","","","","","","","crystallized from acetonitrile","5","P -1","-P 1","2","","","","- C34 H24 N2 O2 S2 -","- C34 H24 N2 O2 S2 -","- C68 H48 N4 O4 S4 -","2","1","JZ1033","Elmali, A.; Özbey, S.; Kendi, E.; Kabak, M.; Elerman, Y.","<i>N</i>,<i>N</i>'-[Dithiobis(<i>o</i>-phenylene)]bis(2-hydroxy-1-naphthaldimine)","Acta Crystallographica Section C","1995","51","9","1878","1880","10.1107/S010827019500285X","","","0.71069","MoKα","","0.0509","0.0459","","0.1159","0.1141","","","","2.828","3.051","3.051","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003908","7.27","0.001","7.076","0.004","11.227","0.001","90","","100.57","0.01","90","","567.7","0.3","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H11 Cl N2 O -","- C12 H11 Cl N2 O -","- C24 H22 Cl2 N4 O2 -","2","1","JZ1037","Moreau, S.; Metin, J.; Coudert, P.; Couquelet, J.","5-(2-Chlorobenzyl)-6-methyl-3(2<i>H</i>)-pyridazinone","Acta Crystallographica Section C","1995","51","9","1834","1836","10.1107/S0108270195002757","","","0.71069","MoKα","","","0.051","","","0.054","","","","","1.67","1.67","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003909","14.46","0.001","13.158","0.002","31.733","0.005","90","","94.13","0.01","90","","6022","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","not as in title!","","- C25 H11 Mn O13 P2 Re2 -","- C25 H10 Mn O13 P2 Re2 -","- C200 H80 Mn8 O104 P16 Re16 -","8","2","JZ1040","Flörke, U.; Haupt, H.-J.","μ-Phenylphosphido-μ-[(pentacarbonylmanganese)phenylphosphido]-bis(tetracarbonylrhenium)","Acta Crystallographica Section C","1995","51","9","1776","1778","10.1107/S0108270195003969","","","0.71073","MoKα","","0.1036","0.0548","","0.1215","0.1044","","","","1.045","1.172","1.172","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003910","13.622","0.001","13.622","0.001","36.47","0.002","90","","90","","120","","5860.7","0.7","211","","","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C27 H63 Au3 B F4 O P3 -","- C27 H63 Au3 B0.5 F4 O P3 -","- C162 H378 Au18 B3 F24 O6 P18 -","6","0.333333","JZ1042","Angermaier, K.; Schmidbaur, H.","μ~3~-Oxo-tris[(triisopropylphosphine)gold(I)] Tetrafluoroborate","Acta Crystallographica Section C","1995","51","9","1793","1795","10.1107/S0108270195003787","","","0.71073","MoKα","","","0.0309","","","0.0344","","","","","0.89","0.89","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003911","23.875","0.011","22.954","0.01","11.877","0.005","90","","90","","90","","6509","5","293","","","","","","","","","","crystallization from ethanol/water","5","F d d 2","F 2 -2d","43","","","","- C16 H20 N6 O4 S -","- C17 H14 N6 O4 S -","- C272 H224 N96 O64 S16 -","16","1","KA1042","Kettmann, V.; Bozóová, A.; Rybár, A.","9,9'-Thiobis(1,2,3,4,7,8-hexahydro-7-methyl-6<i>H</i>-pyrimido[1,6-<i>a</i>]pyrimidine-6,8-dione)","Acta Crystallographica Section C","1995","51","9","1861","1864","10.1107/S0108270194000090","","","0.71073","MoKα","","","0.052","","","0.055","","","","","1.45","1.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003912","15.397","0.004","9.696","0.003","12.14","0.003","90","","104.43","0.02","90","","1755.2","0.8","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 F3 N4 O -","- C19 H15 F3 N4 O -","- C76 H60 F12 N16 O4 -","4","1","KA1108","Karolak-Wojciechowska, J.; Trzezwinska, H. B.; Lange, J.; Wieczorek, M.","Bicyclic [<i>b</i>]-Heteroannulated Pyridazine Derivatives. 3. Partially Hydrogenated Triazolo[4,3-<i>b</i>]pyridazines","Acta Crystallographica Section C","1995","51","9","1829","1832","10.1107/S0108270195002848","","","1.54178","CuKα","","","0.073","","","0.071","","","","","5.4","5.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003913","13.291","0.002","16.973","0.003","8.741","0.001","90","","114.16","0.01","90","","1799.1","0.5","293","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H15 F3 N4 O -","- C19 H15 F3 N4 O -","- C76 H60 F12 N16 O4 -","4","1","KA1108","Karolak-Wojciechowska, J.; Trzezwinska, H. B.; Lange, J.; Wieczorek, M.","Bicyclic [<i>b</i>]-Heteroannulated Pyridazine Derivatives. 3. Partially Hydrogenated Triazolo[4,3-<i>b</i>]pyridazines","Acta Crystallographica Section C","1995","51","9","1829","1832","10.1107/S0108270195002848","","","1.54178","CuKα","","","0.053","","","0.059","","","","","6.3","6.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003914","11.918","0.004","12.296","0.003","11.193","0.005","90","","90.65","0.03","90","","1640.2","1","293","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl N3 O2 -","- C19 H14 Cl N3 O2 -","- C76 H56 Cl4 N12 O8 -","4","1","KA1109","Karolak-Wojciechowska, J.; Kiec-Kononowicz, K.","(<i>Z</i>)-1-Ethyl-3-(4-chlorobenzylidene)-1,2,3,5-tetrahydroimidazo[2,1-<i>b</i>]quinazoline-2,5-dione","Acta Crystallographica Section C","1995","51","9","1833","1834","10.1107/S0108270195002836","","","1.54184","CuKα","","","0.072","","","0.067","","","","","4.84","4.84","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003915","6.453","0.002","9.997","0.002","20.114","0.004","90","","90.38","0.01","90","","1297.5","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","","","","","","- C15 H15 N O2 -","- C18.75 H18.75 N1.25 O2.5 -","- C75 H75 N5 O10 -","4","1","KA1112","Kaitner, B.; Pavlovic, G.","<i>N</i>-<i>p</i>-Tolylvanillaldimine, C~15~H~15~NO~2~","Acta Crystallographica Section C","1995","51","9","1875","1878","10.1107/S0108270195002824","","","0.7093","MolybdenumKα","","","0.048","","","0.085","","","","","1.27","1.27","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003916","7.4728","0.0014","7.0341","0.0012","12.356","0.002","90","","92.9","0.02","90","","648.7","0.2","240","2","240","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,2S,4R,4'S)-4'-chloromethyl-4,7,7-trimethylbicyclo[2.2.1]heptane- 2-spiro-2'-(1',3'-dioxolan)-3-one","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C26 H38 Cl2 O6 -","2","1","KA1114","Clegg, W.; Golding, B. T.; King, B. J.; Maude, A. B.","Four Isomeric Dioxolane Derivatives of <small>D</small>-Camphorquinone","Acta Crystallographica Section C","1995","51","9","1825","1829","10.1107/S0108270195001788","","","0.71073","MoKα","","0.0316","0.0282","","0.0788","0.0762","","","","1.054","1.054","1.054","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003917","7.22","0.0013","7.6439","0.0015","12.148","0.003","90","","93.9","0.02","90","","668.9","0.2","240","2","240","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,2S,4R,4'R)-4'-chloromethyl-4,7,7-trimethylbicyclo[2.2.1]heptane- 2-spiro-2'-(1',3'-dioxolan)-3-one","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C26 H38 Cl2 O6 -","2","1","KA1114","Clegg, W.; Golding, B. T.; King, B. J.; Maude, A. B.","Four Isomeric Dioxolane Derivatives of <small>D</small>-Camphorquinone","Acta Crystallographica Section C","1995","51","9","1825","1829","10.1107/S0108270195001788","","","0.71073","MoKα","","0.0303","0.0284","","0.0776","0.0756","","","","1.091","1.088","1.088","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003918","7.0866","0.0014","7.813","0.002","23.956","0.004","90","","90","","90","","1326.4","0.5","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R,4R,4'R)-4'-chloromethyl-4,7,7-trimethylbicyclo[2.2.1]heptane- 2-spiro-2'-(1',3'-dioxolan)-3-one","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C52 H76 Cl4 O12 -","4","1","KA1114","Clegg, W.; Golding, B. T.; King, B. J.; Maude, A. B.","Four Isomeric Dioxolane Derivatives of <small>D</small>-Camphorquinone","Acta Crystallographica Section C","1995","51","9","1825","1829","10.1107/S0108270195001788","","","0.71073","MoKα","","0.0372","0.0285","","0.0806","0.0714","","","","1.066","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003919","7.364","0.002","7.484","0.002","24.168","0.005","90","","90","","90","","1332","0.6","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R,4R,4'S)-4'-chloromethyl-4,7,7-trimethylbicyclo[2.2.1]heptane- 2-spiro-2'-(1',3'-dioxolan)-3-one","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C52 H76 Cl4 O12 -","4","1","KA1114","Clegg, W.; Golding, B. T.; King, B. J.; Maude, A. B.","Four Isomeric Dioxolane Derivatives of <small>D</small>-Camphorquinone","Acta Crystallographica Section C","1995","51","9","1825","1829","10.1107/S0108270195001788","","","0.71073","MoKα","","0.0286","0.0269","","0.0745","0.072","","","","1.035","1.03","1.03","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003920","7.9169","0.0009","9.2702","0.0006","15.9849","0.0012","90","","90","","90","","1173.15","0.18","293","1","293","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Mer(NO~2~),trans(NH~2~,NH~3~)-silver(I)- (S-alaninato)amminetrinitrocobaltate(III) Monohydrate","","- C3 H11 Ag Co N5 O9 -","- C3 H11 Ag Co N5 O9 -","- C12 H44 Ag4 Co4 N20 O36 -","4","1","KA1120","Prelesnik, B.; Andjelković, K.; Malinar, M.; Juranic, N.","Mono(aminocarboxylato)cobalt(III) Complexes Possessing Only Vicinal and Conformational Asymmetry. IV. Silver(I) <i>mer</i>-(NO~2~),<i>trans</i>-(NH~2~,NH~3~)-[(<i>S</i>)-alaninato]amminetrinitrocobaltate(III) Monohydrate","Acta Crystallographica Section C","1995","51","9","1767","1769","10.1107/S0108270195002812","","","0.71069","MoKα","","","0.035","","","0.037","","","","","2.6","2.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003921","7.799","0.001","11.275","0.0008","11.622","0.001","90","","90","","90","","1021.97","0.17","213","","213","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N2 O3 -","- C9 H14 N2 O3 -","- C36 H56 N8 O12 -","4","1","KH1020","Chai, C. L. L.; King, A. R.; Hockless, D. C. R.","<i>cyclo</i>-<i>N</i>-Acetyl-<small>L</small>-alanyl-<i>N</i>-methyl-<small>L</small>-alanyl (<i>cyclo</i>-<i>N</i>-Ac-<small>L</small>-Ala-<i>N</i>-Me-<small>L</small>-Ala)","Acta Crystallographica Section C","1995","51","9","1836","1838","10.1107/S0108270195002745","","","1.5418","CuKα","","0.0329","0.029","","0.0229","0.023","","","","","3.56","3.56","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003922","9.0574","0.0009","11.658","0.004","25.697","0.004","90","0.013","90","0.02","90","0.02","2713.4","1.1","130","1","130","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1) endo 2-Norborneol 2,4-Dinitrobenzoate","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C112 H112 N16 O48 -","8","1","KH1023","White, J. M.; Green, A. J.","<i>endo</i>-2-Norborneol 2,4-Dinitrobenzoate","Acta Crystallographica Section C","1995","51","9","1905","1906","10.1107/S0108270195002393","","","0.71069","MoKα","","0.0635","0.0437","","0.1366","0.1163","","","","1.152","1.132","1.132","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003923","15.12","0.01","10.72","0.01","21.58","0.02","90","","119.23","0.1","90","","3052","5","288","","288","","","","","","","","","7","P 1 c 1","P -2yc","7","","bis(4-benzyl-1,7-diphenyl-2,4,6-triazahepta-2,5-diene-κ^2^N^2^N^6^)mercury(II) tetrakis(trifluoroacetato)mercury(II) dichloromethane solvate","","- C54.7 H47.4 Cl1.4 F12 Hg2 N6 O8 -","- C55 Cl2 F12 Hg2 N6 O8 -","- C110 Cl4 F24 Hg4 N12 O16 -","2","1","LI1135","Breuer, S. W.; Small, R. W. H.","Bis(4-benzyl-1,7-diphenyl-2,4,6-triazahepta-2,5-diene-κ^2^<i>N</i>^2^,<i>N</i>^6^)mercury(II) Tetrakis(trifluoroacetato)mercury(II) Dichloromethane Solvate","Acta Crystallographica Section C","1995","51","9","1784","1788","10.1107/S010827019500477X","","","0.7107","MoKα","","","0.049","","","0.045","","","","","1.676","1.676","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003924","6.582","0.006","7.362","0.005","12.265","0.005","90","","94.03","0.06","90","","592.9","0.7","293","2","293","2","","","","","","","Preparation by Kitajima et al. (1982)","3","P 1 21/c 1","-P 2ybc","14","","copper(II) tetrachloroaluminium","","- Al2 Cl8 Cu -","- Al2 Cl8 Cu -","- Al4 Cl16 Cu2 -","2","0.5","MD1003","Herbstein, F. H.; Kapon, M.","Re-Examination Shows that Copper(II) Tetrachloroaluminium, Cu(AlCl~4~)~2~, is Monoclinic and not Triclinic as Originally Stated","Acta Crystallographica Section C","1995","51","9","1739","1741","10.1107/S0108270195005865","","","0.71069","MoKα","","0.0883","0.0848","","0.2396","","","","","0.476","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003925","9.402","0.004","10.045","0.006","13.658","0.006","90","","106.49","0.02","90","","1236.8","1.1","293","2","293","2","","","","","","","chemical synthesis","3","P 1 21/c 1","-P 2ybc","14","","cis-3-Hydroxytricyclo[7.5.0.0^3,8^]tetradec-1(9)-en-2-one","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","MU1162","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Brosse, N.; Caubère, P.","<i>cis</i>-3-Hydroxytricyclo[7.5.0.0^3,8^]tetradec-1(9)-en-2-one","Acta Crystallographica Section C","1995","51","9","1838","1841","10.1107/S0108270195002228","","","1.54056","CuKα~1~","","0.1456","0.0544","","0.2345","0.1721","","","","1.004","1.291","1.291","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003926","17.631","0.007","11.843","0.004","6.984","0.001","90","","92.36","0.03","90","","1457","0.8","293","2","293","2","","","","","","","chemical synthesis","3","P 1 21/n 1","-P 2yn","14","","(1RS,2RS,9RS,10SR,14RS)-9-acetoxy-11-oxatricyclo[8.4.0.0^2,9^]tetradec-6,7-diol","","- C15 H24 O5 -","- C15 H24 O5 -","- C60 H96 O20 -","4","1","MU1167","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Stereochemistry of Hydroxylation Reactions on Polycyclic Pyrans","Acta Crystallographica Section C","1995","51","9","1885","1889","10.1107/S0108270195001442","","","1.54056","Cu-Kα~1~","","0.0729","0.0561","","0.1826","0.1553","","","","1.075","1.112","1.112","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003927","20.355","0.007","16.648","0.005","9.181","0.002","90","","97.14","0.04","90","","3087","1.6","293","2","293","2","","","","","","","chemical synthesis","3","C 1 2/c 1","-C 2yc","15","","(1SR,2RS,9RS,10RS,14SR)-9-acetoxy-11-oxatricyclo[8.4.0.0^2,9^]tetradec-6,7-diol monohydrate","","- C15 H26 O6 -","- C15 H26 O6 -","- C120 H208 O48 -","8","1","MU1167","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Stereochemistry of Hydroxylation Reactions on Polycyclic Pyrans","Acta Crystallographica Section C","1995","51","9","1885","1889","10.1107/S0108270195001442","","","1.54056","CuKα~1~","","0.0487","0.0374","","0.1071","0.1024","","","","1.014","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003928","11.995","0.001","11.995","0.001","16.692","0.002","90","","90","","90","","2401.6","0.4","296","","296","","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","Tetraethylammonium hepta-μ3-chloro-μ3-teluro-hexachlorohexamolybdate","","- C24 H60 Cl13 Mo6 N3 Te -","- C24 Cl13 Mo6 N3 Te -","- C48 Cl26 Mo12 N6 Te2 -","2","0.125","NA1128","Ebihara, M.; Imai, T.; Kawamura, T.","Hexamolybdenum Cluster with One Telluride and Seven Chloride Capping Ligands","Acta Crystallographica Section C","1995","51","9","1743","1745","10.1107/S0108270194013466","","","0.7107","MolybdenumKα","","","0.038","","","0.043","","","","","1.52","1.52","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003929","20.27","0.009","20.27","0.009","12.3","0.05","90","","90","","120","","4377","18","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","cis-diammine-bisacyclovir platinum(II) chloride dihydrate","cis-diamminebis{2-amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-6H-purin-6-one} platinum(II) chloride dihydrate","","- C16 H32 Cl2 N12 O8 Pt -","- C16 H20 Cl2 N12 O8 Pt -","- C96 H120 Cl12 N72 O48 Pt6 -","6","1","NA1142","Sinur, A.; Grabner, S.","A Platinum(II) Diammine Complex: <i>cis</i>-[Pt(C~8~H~11~N~5~O~3~)~2~(NH~3~)~2~]Cl~2~.2H~2~O","Acta Crystallographica Section C","1995","51","9","1769","1772","10.1107/S0108270195002563","","","0.71069","MoKα","","0.065","0.054","","0.066","0.056","","","","3.013","2.843","2.843","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003930","14.301","0.006","13.037","0.005","20.981","0.014","90","","90","","90","","3912","3","293","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H29 N4 O12 V3 -","- C8 H29 N4 O12 V3 -","- C64 H232 N32 O96 V24 -","8","1","NA1147","Tyrselová, J.; Kuchta, L.; Pavelcík, F.","Piperazine Metavanadate Trihydrate","Acta Crystallographica Section C","1995","51","9","1752","1754","10.1107/S0108270195002022","","","0.71069","MoKα","","","0.0568","","","0.1261","","","","","1.125","1.125","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003931","24.096","0.005","10.692","0.002","20.188","0.004","90","","98.36","0.02","90","","5145.9","1.8","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","The tetraethylammonium salt of the Eu(dipic)3","tris(tetraethylammonium)tris(dipicolinato)europium(III) tetrahydrate","","- C45 H77 Eu N6 O16 -","- C45 H77 Eu N6 O16 -","- C180 H308 Eu4 N24 O64 -","4","1","NA1151","Brayshaw, P. A.; Harrowfield, J. M.; Sobolev, A. N.","A Strongly Luminescent Organic-Solvent-Soluble Salt of the Tris(dipicolinato)europium(III) Trianion","Acta Crystallographica Section C","1995","51","9","1799","1802","10.1107/S0108270195002897","","","0.71073","MoKα","","0.0673","0.0417","","0.0975","0.086","","","","1.064","1.108","1.108","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2003932","22.935","0.003","8.746","0.001","11.702","0.001","90","","95.66","0.01","90","","2335.9","0.5","298","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Ca N5 O13 -","- C18 H21 Ca N5 O13 -","- C72 H84 Ca4 N20 O52 -","4","1","NA1155","","Bis(2,4-dinitrophenolato)(triethanolamine)calcium(II)","Acta Crystallographica C","1995","51","","1788","1791","10.1107/S0108270195003714","","","0.71073","MoKα","","","0.063","","","0.057","","","","","1.178","1.178","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003933","8.892","0.001","8.614","0.001","18.094","0.001","90","","102.62","0.01","90","","1352.4","0.2","293","","","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 O2 P -","- C15 H15 O2 P -","- C60 H60 O8 P4 -","4","1","NA1158","Wieczorek, W.","(2-Methoxyphenyl)(phenyl)vinylphosphine Oxide","Acta Crystallographica Section C","1995","51","9","1849","1851","10.1107/S0108270195002642","","","1.54184","CuKα","","","0.04","","","0.046","","","","","2.41","2.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003934","4.233","0.001","4.233","0.001","31.039","0.009","90","","90","","90","","556.2","0.2","293","2","293","2","","","","","","","Palenzona & Manfrinetti (1995)","2","I 41/a m d","-I 4bd 2","","","","","- Sc Sn2 -","- Sc Sn2 -","- Sc8 Sn16 -","8","","NA1161","Pani, M.; Manfrinetti, P.; Fornasini, M. L.","Two New Scandium Phases: ScSn~2~ and Sc~6~Pb~5~","Acta Crystallographica Section C","1995","51","9","1725","1728","10.1107/S0108270195003301","","","0.7107","MoKα","","0.078","0.065","","0.125","0.124","","","","4.57","5.6","5.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003935","8.889","0.001","19.274","0.002","6.177","0.002","90","","90","","90","","1058.3","0.4","293","2","293","2","","","","","","","Palenzona & Manfrinetti (1995)","2","I b a m","-I 2 2c","","","","","- Pb5 Sc6 -","- Pb5 Sc6 -","- Pb20 Sc24 -","4","0.25","NA1161","Pani, M.; Manfrinetti, P.; Fornasini, M. L.","Two New Scandium Phases: ScSn~2~ and Sc~6~Pb~5~","Acta Crystallographica Section C","1995","51","9","1725","1728","10.1107/S0108270195003301","","","0.7107","MoKα","","0.08","0.054","","0.146","0.139","","","","0.92","1.05","1.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003936","10.002","0.002","14.274","0.003","21.976","0.004","90","","90","","90","","3137.5","1.1","293","2","293","2","","","","","","","chemical synthesis","5","P 21 21 21","P 2ac 2ab","19","","(Z)-N-[(2R,3R)-2-(tert-Butoxycarbonylamino)-3-(tert- butyldiphenylsilyloxy)butylidene]benzylamine N-oxide","","- C32 H42 N2 O4 Si -","- C32 H42 N2 O4 Si -","- C128 H168 N8 O16 Si4 -","4","1","NA1167","Merino, P.; Merchan, F. L.; Tejero, T.; Lanaspa, A.","(<i>Z</i>)-<i>N</i>-[(2<i>R</i>,3<i>R</i>)-2-(<i>tert</i>-Butoxycarbonylamino)-3-(<i>tert</i>-butyldiphenylsiloxy)butylidene]benzylamine <i>N</i>-Oxide","Acta Crystallographica Section C","1995","51","9","1949","1950","10.1107/S0108270195004343","","","0.71073","MoKα","","0.1279","0.0568","","0.1593","0.1148","","","","1.078","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003937","24.032","0.004","8.109","0.002","24.014","0.003","90","","98.47","0.01","90","","4628.7","1.5","294","1","","","","","","","","","synthesized by the authors, see text","5","C 1 2/c 1","-C 2yc","15","3a,9b-Dihydro-2,9b-dimethylthiazolo[5,4-c]quinolin-4(5H)-one cis-isomer","(3aS^*^,9bS^*^)-(±)-3a,9b-Dihydro-2,9b-dimethylthiazolo[5,4-c] quinolin-4(5H)-one","","- C12 H12 N2 O S -","- C12 H12 N2 O S -","- C192 H192 N32 O16 S16 -","16","2","NA1185","Dao, D. C.; Ferguson, G.","(3a<i>S</i>^*^,9b<i>S</i>^*^)-(±)-3a,9b-Dihydro-2,9b-dimethylthiazolo[5,4-<i>c</i>]quinolin-4(5<i>H</i>)-one","Acta Crystallographica Section C","1995","51","9","1823","1825","10.1107/S0108270195007311","","","0.71069","MolybdenumKα","","0.0617","0.0367","","0.1134","0.1062","","","","1.065","1.202","1.202","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003938","12.193","0.009","12.821","0.002","6.685","0.001","90","","90","","90","","1045","0.8","298","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H18 Cd N2 -","- C8 H18 Cd N2 -","- C32 H72 Cd4 N8 -","4","0.5","OH1068","Wang, X.; Sun, H.; Sun, X.; You, X.; Huang, X.","Me~2~Cd(dabco)","Acta Crystallographica Section C","1995","51","9","1754","1756","10.1107/S0108270194012291","","","0.71069","MoKα","","","0.03","","","0.039","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003939","27.571","0.004","5.062","0.001","17.284","0.003","90","","127.63","0.01","90","","1910.4","0.6","291","","","","","","","","","","aqueous solution","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Ag N O4 -","- C10 H6 Ag N O4 -","- C80 H48 Ag8 N8 O32 -","8","1","PA1128","Jaber, F.; Charbonnier, F.; Faure, R.","Silver(I) <i>N</i>-Phthaloylglycinate","Acta Crystallographica Section C","1995","51","9","1765","1767","10.1107/S0108270195002447","","","0.7107","MoKα","","","0.017","","","0.019","","","","","1.48","1.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003940","8.521","0.003","15.367","0.006","16.892","0.006","90","","90","","90","","2211.9","1.4","293","","293","","","","","","","","synth\`ese chimique","4","P 21 21 21","P 2ac 2ab","19","","1-mésityl-3a-méthyl-5-phényl-3,3a,4,11-tétrahydro-3H-[1,2,4] oxadiazolo [4,5-a] [1,5] benzodiazépine","","- C26 H25 N3 O -","- C26 H25 N3 O -","- C104 H100 N12 O4 -","4","1","PA1141","Chiaroni, A.; Riche, C.; Baouid, A.; Benharref, A.; Hasnaoui, A.; Lavergne, J.-P.","1-Mésityl-3a-méthyl-5-phényl-3a,4-dihydro[1,2,4]oxadiazolo[4,5-<i>a</i>][1,5]benzodiazépine","Acta Crystallographica Section C","1995","51","9","1898","1900","10.1107/S0108270194010358","","","0.7107","MoKα","","","0.056","","","0.063","","","","","1.02","1.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003941","8.112","0.002","10.142","0.002","10.033","0.002","90","","74.49","0.03","90","","795.4","0.3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(1-Phenylethyl)-3-aza-10-oxatricyclo[5.2.1.0exp1,5]dec-8-ene-4-oxo6-carboxylic methyl ester","","- C18 H19 N O4 -","- C23 H19 -","- C46 H38 -","2","1","PA1167","Pèpe, G.; Zylber, J.; Tubul, A.; Brun, P.","Methyl 4-Oxo-<i>N</i>-(1-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.0^1,5^]dec-8-ene-6-carboxylate","Acta Crystallographica Section C","1995","51","9","1915","1917","10.1107/S0108270195002460","","","1.5418","CuKα","","0.0362","0.0362","","0.0362","0.0362","","","","0.52","0.52","0.52","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003942","19.95","0.009","7.048","0.003","7.65","","81.26","0.03","86.34","0.03","88.78","0.04","1060.9","0.7","300","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H13 N7 S -","- C26 H13 N7 S -","- C52 H26 N14 S2 -","2","1","PA1168","Viossat, B.; Tomas, A.; Nguyen-Huy Dung; Mettey, Y.; Vierfond, J.-M.","12-Imino-12<i>H</i>-benzimidazo[2,1-<i>b</i>][1,3]benzothiazine‒7,7,8,8-Tétracyano-<i>p</i>-quinodiméthane, IBB‒TCNQ","Acta Crystallographica Section C","1995","51","9","1896","1898","10.1107/S0108270195002472","","","0.71069","MoKα","","","0.042","","","0.044","","","","","0.82","0.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003943","11.576","0.002","10.6933","0.0007","11.582","0.002","90","","101.448","0.009","90","","1405.2","0.4","293","2","293","2","","","","","","","Laboratory of Medicinal Chemistry, Li\`ege","4","P 1 21/a 1","-P 2yab","14","","2-Cyanoimino-5,5-diphenyl-4-imidazolinone Monohydrate","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C64 H56 N16 O8 -","4","1","PA1170","Dupont, L.; Masereel, B.; Lambert, D.; Scriba, G.","2-Cyanoimino-5,5-diphenyl-4-imidazolinone Monohydrate","Acta Crystallographica Section C","1995","51","9","1901","1903","10.1107/S0108270195001661","","","1.5418","CuKα","","0.0467","0.0347","","0.1063","0.1025","","","","1.073","1.192","1.192","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003944","9.636","0.002","19.634","0.003","8.215","0.002","90","","107.45","0.02","90","","1482.7","0.6","295","","","","","","","","","","slow evaporation of water solution","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O5 S -","- C14 H16 N2 O5 S -","- C56 H64 N8 O20 S4 -","4","1","PA1174","Ehlinger, N.; Perrin, M.","4-(4-Hydroxy-3,5-dimethylphenylazo)benzenesulfonic Acid","Acta Crystallographica Section C","1995","51","9","1846","1849","10.1107/S0108270195002496","","","1.54056","CuKα","","","0.0486","","","0.1098","","","","","0.886","0.886","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003945","14.586","0.002","8.583","0.001","12.186","0.002","90","","101.83","0.02","90","","1493.2","0.4","295","","","","","","","","","","slow evaporation of water solution","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O5 S -","- C14 H16 N2 O5 S -","- C56 H64 N8 O20 S4 -","4","1","PA1174","Ehlinger, N.; Perrin, M.","4-(4-Hydroxy-3,5-dimethylphenylazo)benzenesulfonic Acid","Acta Crystallographica Section C","1995","51","9","1846","1849","10.1107/S0108270195002496","","","1.54056","CuKα","","","0.0393","","","0.1077","","","","","0.994","0.994","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003946","9.5563","0.0003","13.8791","0.0008","10.929","0.0008","90","","111.648","0.002","90","","1347.3","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Benzamido-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-Dioxide","","- C13 H10 N4 O3 S -","- C13 H10 N4 O3 S -","- C52 H40 N16 O12 S4 -","4","1","PA1176","Dupont, L.; De Tullio, P.; Pirotte, B.; Masereel, B.; Delarge, J.","3-Benzamido-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1995","51","9","1903","1905","10.1107/S0108270195002459","","","1.5418","CuKα","","0.0391","0.0318","","0.0874","0.085","","","","1.039","1.109","1.109","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003947","7.484","0.001","10.735","0.001","7.1191","0.0009","98.37","0.01","109.59","0.01","105.98","0.01","499.84","0.12","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 N2 O6 -","- C9 H8 N2 O6 -","- C18 H16 N4 O12 -","2","1","PT1001","Jedrzejas, M. J.; Luo, M.; Singh, S.; Brouillette, W. J.; Air, G. M.","4-(Acetylamino)-3-hydroxy-5-nitrobenzoic Acid","Acta Crystallographica Section C","1995","51","9","1910","1912","10.1107/S0108270195003258","","","1.5418","CuKα","","","0.0517","","","0.0647","","","","","2.43","2.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003948","7.532","0.001","3.992","0.001","9.728","0.001","90","","90","","90","","292.5","0.09","293","2","","","","","","","","","see text","4","P m n 21","P 2ac -2","31","","","","- B2 Cs Nb O6 -","- B2 Cs Nb O6 -","- B4 Cs2 Nb2 O12 -","2","0.5","SH1104","Becker, P.; Bohatý, L.; Fröhlich, R.","CsNbOB~2~O~5~: the Basic Structure Type of the Borates <i>AM</i>OB~2~O~5~ (<i>A</i> = K, Rb, Cs, Tl; <i>M</i> = Nb, Ta)","Acta Crystallographica Section C","1995","51","9","1721","1723","10.1107/S0108270195002617","","","0.71073","MoKα","","","0.0241","","","0.0661","","","","","1.023","1.023","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003949","9.161","0.001","9.161","0.001","10.678","0.002","90","","90","","90","","896.1","0.2","293","2","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- K2 Ni O10 P2 W -","- K2 Ni O10 P2 W -","- K8 Ni4 O40 P8 W4 -","4","0.5","SH1105","Peuchert, U.; Bohatý, L.; Fröhlich, R.","K~2~NiWO~2~(PO~4~)~2~: a New Structure Type Related to KTiOPO~4~ (KTP)","Acta Crystallographica Section C","1995","51","9","1719","1721","10.1107/S0108270195004185","","","0.71073","MoKα","","0.0143","0.0173","","0.0325","0.033","","","","","1.117","1.117","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003950","13.199","0.003","6.108","0.001","20.971","0.004","90","","92.53","0.02","90","","1689","0.6","158","","158","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pentacylo[6.4.0^1,5^.0^1,8^.0^7,11^.0^10,12^]dodecan-6-yl 3,5-dintrobenzoate","","- C19 H18 N2 O6 -","- C19 H18 N2 O6 -","- C76 H72 N8 O24 -","4","1","SZ1009","Lautens, M.; Lough, A. J.; Tam, W.","An Unusual <i>trans</i>-Fused Cyclopentane Ring System at 158 K","Acta Crystallographica Section C","1995","51","9","1944","1946","10.1107/S0108270195003490","","","0.71073","MoKα","","0.0758","0.0503","","0.1391","0.1303","","","","1.043","1.191","1.191","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003951","15.885","0.002","5.6895","0.0004","14.889","0.002","90","","93.359","0.009","90","","1343.3","0.3","299","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H28 O11 S2 -","- C24 H28 O11 S2 -","- C48 H56 O22 S4 -","2","0.5","SZ1011","Shalaby, M. A.; Fronczek, F. R.; Voll, R. J.; Younathan, E. S.","3,4-Di-<i>O</i>-acetyl-2,5-anhydro-1,6-di-<i>O</i>-(<i>p</i>-tolylsulfonyl)-<small>D</small>-mannitol","Acta Crystallographica Section C","1995","51","9","1921","1923","10.1107/S0108270195003519","","","1.54184","CuKα","","","0.03","","","0.041","","","","","2.295","2.295","","","","","has coordinates","198471","2020-10-21","18:00:00",""
"2003952","14.14","0.006","9.586","0.003","16.118","0.007","90","","94.48","0.02","90","","2178.1","1.5","298","","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dicyclohexylammonium hydrogen 2-sulfobenzoate dihydrate","","- C19 H33 N O7 S -","- C19 H33 N O7 S -","- C76 H132 N4 O28 S4 -","4","1","TA1017","Ng, S. W.","Dicyclohexylammonium 2-Carboxybenzenesulfonate Dihydrate","Acta Crystallographica Section C","1995","51","9","1853","1855","10.1107/S0108270195003118","","","0.71073","MoKα","","0.1205","0.0575","","0.1509","0.1188","","","","1.009","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003953","11.8709","0.0008","13.625","0.002","13.8088","0.0014","88.684","0.009","75.199","0.007","72.618","0.007","2057.3","0.4","298","","298","","","","","","","","","6","P -1","-P 1","2","","tetrabutylbis[(N,N-diethylthiocarbamylthio)acetato]distannoxane dimer","","- C60 H120 N4 O10 S8 Sn4 -","- C60 H120 N4 O10 S8 Sn4 -","- C60 H120 N4 O10 S8 Sn4 -","1","0.5","TA1020","Ng, S. W.; Kumar Das, V. G.","Tetrabutylbis[(<i>N</i>,<i>N</i>-diethylthiocarbamoylthio)acetato]distannoxane Dimer","Acta Crystallographica Section C","1995","51","9","1774","1776","10.1107/S0108270195003143","","","0.71073","MoKα","","0.0944","0.0501","","0.1133","0.0948","","","","1.025","1.077","1.077","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003954","19.582","0.002","7.668","0.002","14.138","0.002","90","","111.229","0.009","90","","1978.8","0.6","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 Cl4 N3 Ru -","- C12 H26 Cl4 N3 Ru -","- C48 H104 Cl16 N12 Ru4 -","4","0.5","TA1023","Gheller, S. F.; Heath, G. A.; Hockless, D. C. R.","Tetraethylammonium Salt of <i>trans</i>-Bis(acetonitrile)tetrachlororuthenate(III), a Notable Optical Chromophore","Acta Crystallographica Section C","1995","51","9","1805","1807","10.1107/S0108270195003623","","","1.5418","CuKα","","0.0397","0.025","","0.0231","0.022","","","","","1.73","1.73","","","","","has coordinates","198475","2020-10-21","18:00:00",""
"2003955","9.132","0.002","12.248","0.002","13.622","0.003","95.72","0.02","105.6","0.02","89.91","0.02","1459.7","0.5","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 Cl2 N Os P3 -","- C26 H36 Cl2 N Os P3 -","- C52 H72 Cl4 N2 Os2 P6 -","2","1","TA1024","Yeomans, B. D.; Heath, G. A.; Hockless, D. C. R.","(Acetonitrile)-<i>trans</i>-dichloro-<i>mer</i>-tris[(dimethyl)phenylphosphine]osmium(III); the Kinetically Controlled Electrogenerated Isomer","Acta Crystallographica Section C","1995","51","9","1807","1809","10.1107/S0108270195003544","","","0.7107","MoKalpha","","0.0609","0.044","","0.0622","0.061","","","","","2.59","2.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003956","15.209","0.003","25.479","0.004","6.26","0.002","90","","90.01","0.02","90","","2425.8","1","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O5 -","- C27 H30 N2 O5 -","- C108 H120 N8 O20 -","4","1","VJ1012","Tsutsumi, S.; Okonogi, T.; Takeuchi, Y.; Kodama, Y.","Prolyl Endopeptidase Inhibitors. I. A Peptidyl α-Keto Ester Derivative","Acta Crystallographica Section C","1995","51","9","1923","1925","10.1107/S0108270195003891","","","1.5418","CuKα","","","0.229","","","0.079","","","","","1.24","1.24","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2003957","8.819","0.001","6.656","0.004","20.006","0.004","90","","93.34","0.01","90","","1172.3","0.8","23","","23","","","","","","","","","5","P 1 21 1","","","","","","- C25 H23 N3 O4 S -","- C25 H23 N3 O4 S -","- C50 H46 N6 O8 S2 -","2","1","VJ1013","Tsutsumi, S.; Okonogi, T.; Takeuchi, Y.; Kodama, Y.","Prolyl Endopeptidase Inhibitors. II. A Peptidyl α-Keto Thiazole Derivative","Acta Crystallographica Section C","1995","51","9","1925","1927","10.1107/S0108270195003908","","","1.5418","CuKα","","","0.194","","","0.075","","","","","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003958","10.226","0.001","9.365","0.001","12.073","0.002","90","","95.58","0.01","90","","1150.7","0.3","23","","23","","","","","","","","","5","P 1 21 1","","","","","","- C25 H25 N3 O4 S -","- C25 H25 N3 O4 S -","- C50 H50 N6 O8 S2 -","2","1","VJ1014","Tsutsumi, S.; Okonogi, T.; Takeuchi, Y.; Kodama, Y.","Prolyl Endopeptidase Inhibitors. III. A Peptidyl α-Keto Benzothiazole Derivative","Acta Crystallographica Section C","1995","51","9","1927","1929","10.1107/S010827019500391X","","","1.5418","CuKα","","","0.2202","","","0.0735","","","","","1.121","1.121","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003959","14.98","0.002","6.05","0.002","13.31","0.002","90","","101.21","0.07","90","","1183.3","0.5","295","","","","","","","","","","Synthesized locally","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 N2 O5 S -","- C10 H12 N2 O5 S -","- C40 H48 N8 O20 S4 -","4","1","AB1088","Mukherjee, K.; Banerjee, T.; Roychowdhury, P.; Yamane, T.","<i>N</i>-Benzenesulfonylglycylglycine, (I), and Tetrakis(μ-<i>N</i>-benzenesulfonylglycylglycinato)bis[aquacopper(II)](<i>Cu</i>—<i>Cu</i>)‒Water (1/4), (II)","Acta Crystallographica Section C","1995","51","10","2025","2028","10.1107/S0108270194005214","","","1.5418","CuKα","","","0.0615","","","0.0567","","","","","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003960","13.716","0.003","12.374","0.003","7.992","0.004","97.66","0.03","83.12","0.03","95.82","0.02","1329.6","0.8","297","","","","","","","","","","Synthesized","6","P -1","-P 1","2","","","","- C20 H28 Cu N4 O13 S2 -","- C20 H28 Cu N4 O13 S2 -","- C40 H56 Cu2 N8 O26 S4 -","2","1","AB1088","Mukherjee, K.; Banerjee, T.; Roychowdhury, P.; Yamane, T.","<i>N</i>-Benzenesulfonylglycylglycine, (I), and Tetrakis(μ-<i>N</i>-benzenesulfonylglycylglycinato)bis[aquacopper(II)](<i>Cu</i>—<i>Cu</i>)‒Water (1/4), (II)","Acta Crystallographica Section C","1995","51","10","2025","2028","10.1107/S0108270194005214","","","1.5418","CuKα","","","0.0574","","","0.0599","","","","","1.13","1.13","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2003961","15.665","0.001","16.352","0.003","17.252","0.001","90","","95.725","0.007","90","","4397.1","0.9","298","3","","","","","","","","","synthesis","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H32 Cl2 N4 Ni O8 -","- C14 H32 Cl2 N4 Ni O8 -","- C112 H256 Cl16 N32 Ni8 O64 -","8","2","AB1193","Tahirov, T. H.; Lu, T.-H.; Liu, G.-S.; Chi, T.-Y.; Chung, C.-S.","[(5<i>SR</i>,7<i>RS</i>,12<i>RS</i>,14<i>RS</i>)-5,7,12,14-Tetramethyl-1,4,8,11-tetraazacyclotetradecane]nickel(II) Diperchlorate","Acta Crystallographica Section C","1995","51","10","2018","2020","10.1107/S0108270195004458","","","0.71073","MoKα","","","0.048","","","0.058","","","","","1.38","1.38","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003962","11.203","0.002","12.368","0.002","14.849","0.003","90","","99.8","0.2","90","","2027.4","1.4","293","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","2","AB1212","Bidyasagar, M.; Ravikumar, K.; Rama Rao, A. V.; Reddy, M. M.; Singh, A. K.","Structural Studies of Intermediates in the Synthesis of Mifepristone (RU 486). IV. An α-Epoxy Steroid","Acta Crystallographica Section C","1995","51","10","2102","2105","10.1107/S0108270195004409","","","0.71073","MoKα","","","0.05","","","0.053","","","","","0.992","0.992","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003963","10.881","0.002","19.772","0.003","21.563","0.003","90","","90","","90","","4639","1.3","298","","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C48 H48 Cu2 N4 O10 -","- C24 H24 Cu N2 O5 -","- C192 H192 Cu8 N16 O40 -","8","1","AB1221","Hökelek, T.; Necefouglu, H.; Balcı, M.","Tetrakis(μ-benzoato-<i>O</i>:<i>O</i>')bis(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>')dicopper(II)","Acta Crystallographica Section C","1995","51","10","2020","2023","10.1107/S0108270195000618","","","0.71069","MoKα","","","0.0453","","","0.0486","","","","","0.36","0.36","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003964","7.414","0.002","11.981","0.002","22.826","0.006","90","","90","","90","","2027.6","0.8","290","","","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C96 H72 N8 O16 -","8","2","AB1254","Rajnikant; Watkin, D.; Tranter, G.","3-Nitrobiphenyl","Acta Crystallographica Section C","1995","51","10","2071","2073","10.1107/S0108270195003593","","","0.71073","MoKα","","","0.045","","","0.0571","","","","","0.83","0.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003965","9.845","0.003","12.445","0.002","14.0154","0.0013","90","","92.154","0.012","90","","1716","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5a-p-Tolyl-5a,5b,6,7,8,9,9a,11-octahydroisoindolo [2,1-a]- benzimidazol-10-one","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C84 H88 N8 O4 -","4","1","AB1256","Sillanpää, R.; Csende, F.; Stájer, G.","5a-<i>p</i>-Methylphenyl-5a,5b,6,7,8,9,9a,10-octahydro-5<i>H</i>-isoindolo[2,1-<i>a</i>]benzimidazol-10-one","Acta Crystallographica Section C","1995","51","10","2169","2171","10.1107/S0108270195005920","","","0.71069","MoKα","","0.1107","0.0441","","0.1164","0.0913","","","","1.025","1.101","1.101","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003966","8.313","0.005","9.717","0.005","12.151","0.004","70.86","0.04","88.56","0.04","82.11","0.05","918.3","0.8","293","2","293","2","","","","","","","synthesis","4","P -1","-P 1","2","pyruvic acid oxime","2-hydroxyiminopropanoic acid","","- C3 H5 N O3 -","- C3 H5 N O3 -","- C24 H40 N8 O24 -","8","4","AB1262","Maurin, J. K.","Resonance-Assisted Hydrogen Bonds Between Oxime and Carboxyl Groups. II. The Tetrameric Structure of Pyruvic Acid Oxime","Acta Crystallographica Section C","1995","51","10","2111","2113","10.1107/S0108270195005932","","","1.54178","CuKα","","0.0639","0.0393","","0.1139","0.1038","","","","1.016","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003967","19.746","0.005","12.403","0.003","7.254","0.002","90","","100.57","0.02","90","","1746.4","0.8","122","2","122","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","O-Methyl-THPO hydrochloride","O-Methyl-4,5,6,7-tetrahydroisoxazolo[4,5c]pyridin-3-ol hydrochloride","","- C7 H11 Cl N2 O2 -","- C7 H11 Cl N2 O2 -","- C56 H88 Cl8 N16 O16 -","8","1","AB1263","Frydenvang, K.; Hansen, L. M.; Jensen, B.","<i>O</i>-Methyl-4,5,6,7-tetrahydroisoxazolo[4,5-<i>c</i>]pyridin-3-ol Hydrochloride, <i>O</i>-Me-THPO.HCl","Acta Crystallographica Section C","1995","51","10","2053","2057","10.1107/S010827019500446X","","","0.71073","MoKα","","0.1088","0.05","","0.1559","0.1239","","","","1.068","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003968","11.101","0.002","8.6795","0.0007","14.648","0.002","90","","100.457","0.011","90","","1387.9","0.3","294","1","294","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-Ferrocenylquinoxaline","","- C18 H14 Fe N2 -","- C18 H14 Fe N2 -","- C72 H56 Fe4 N8 -","4","1","AB1268","Ferguson, G.; Glidewell, C.; Scott, J. P.","2-Ferrocenylquinoxaline","Acta Crystallographica Section C","1995","51","10","1989","1991","10.1107/S0108270195004094","","","0.7107","MoKα","","0.0598","0.0347","","0.0962","0.0901","","","","1.042","1.167","1.167","","","","","has coordinates","192281","2020-10-21","18:00:00",""
"2003969","9.065","0.002","10.858","0.002","14.118","0.003","89.59","0.03","71.94","0.03","83.63","0.03","1312.4","0.5","173","2","173","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","","Quinazolino[2,3-a]benzisoquinoline-2,14-dione","","- C19 H10 N2 O2 -","- C19 H10 N2 O2 -","- C76 H40 N8 O8 -","4","2","AB1270","Lindeman, S. V.; Ponomarev, I. I.; Rusanov, A. L.","Benz[4,5]isoquino[1,2-<i>b</i>]quinazoline-7,9-dione and a Rearrangement Product of its Hydrolysis, 2-(1,8-Naphthalenedicarboximido)benzamide","Acta Crystallographica Section C","1995","51","10","2157","2161","10.1107/S0108270195005749","","","0.71069","MoKα","","0.1197","0.0696","","0.1982","0.1679","","","","1.043","1.134","1.134","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003970","9.354","0.002","14.13","0.003","11.923","0.002","90","","111.28","0.03","90","","1468.4","0.6","173","2","173","2","","","","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","","N-(o-amidophenyl)-1,8-naphthoyleneimide","","- C19 H12 N2 O3 -","- C19 H12 N2 O3 -","- C76 H48 N8 O12 -","4","1","AB1270","Lindeman, S. V.; Ponomarev, I. I.; Rusanov, A. L.","Benz[4,5]isoquino[1,2-<i>b</i>]quinazoline-7,9-dione and a Rearrangement Product of its Hydrolysis, 2-(1,8-Naphthalenedicarboximido)benzamide","Acta Crystallographica Section C","1995","51","10","2157","2161","10.1107/S0108270195005749","","","0.71069","MoKα","","0.0746","0.0475","","0.1357","0.1194","","","","1.03","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003971","26.114","0.005","9.859","0.002","13.273","0.003","90","","108.48","0.03","90","","3241","1.3","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 N6 O4 -","- C15 H22 N6 O5 -","- C120 H176 N48 O40 -","8","1","AS1159","Karczmarzyk, Z.; Karolak-Wojciechowska, J.; Pawlowski, M.","8-Amino-7-(2-hydroxy-3-morpholinopropyl)theophylline","Acta Crystallographica Section C","1995","51","10","2121","2123","10.1107/S0108270195003374","","","1.54184","CuKα","","","0.0667","","","0.0667","","","","","3.43","3.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003972","3.86","0.01","12.771","0.006","10.994","0.004","90","","93.93","0.08","90","","540.7","1.4","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 O2 -","- C16 H6 O2 -","- C32 H12 O4 -","2","0.5","AS1161","Kingsford-Adaboh, R.; Kashino, S.","Disordered Structure of 2-Methylanthraquinone","Acta Crystallographica Section C","1995","51","10","2094","2096","10.1107/S0108270195003842","","","0.71073","MoKα","","","0.061","","","0.058","","","","","2.21","2.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003973","10.008","0.001","12.409","0.001","6.821","0.001","90","","99.5","0.01","90","","835.48","0.16","293","2","293","2","","","","","","","see prep","4","P 1 21/c 1","-P 2ybc","14","","4,5-Diazafluoren-9-one","","- C11 H6 N2 O -","- C11 H6 N2 O -","- C44 H24 N8 O4 -","4","1","AS1169","Fun, H.-K.; Sivakumar, K.; Zhu, D.-R.; You, X.-Z.","4,5-Diazafluoren-9-one","Acta Crystallographica Section C","1995","51","10","2076","2078","10.1107/S0108270195003854","","","0.71073","MoKα","","0.051","0.0439","","0.1324","0.1277","","","","1.057","1.14","1.14","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003974","7.815","0.001","8.116","0.001","24.972","0.002","90","","90","","90","","1583.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","14-methyl-7,14-dihydrodibenzo[a,j]acridine","","- C22 H17 N -","- C22 H17 N -","- C88 H68 N4 -","4","1","AS1170","Ray, J. K.; Roy, B. C.; Nigam, G. D.; Sivakumar, K.; Fun, H.-K.","14-Methyl-7,14-dihydrodibenzo[<i>a</i>,<i>j</i>]acridine","Acta Crystallographica Section C","1995","51","10","2083","2085","10.1107/S0108270195004860","","","0.71073","MoKα","","0.0465","0.0332","","0.1447","0.0924","","","","1.044","1.142","1.142","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003975","21.811","0.007","10.177","0.001","16.006","0.002","90","","99.91","0.02","90","","3499.8","1.3","298","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N4 O -","- C18 H24 N4 O -","- C144 H192 N32 O8 -","8","2","AS1171","Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","Bis[4-(dimethylamino)phenyl](<i>N</i>-methylcarbamoyl)amine, C~18~H~24~N~4~O","Acta Crystallographica Section C","1995","51","10","2198","2200","10.1107/S0108270195006196","","","1.54184","CuKα","","","0.055","","","0.068","","","","","2.85","2.85","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003976","10","0.003","25.705","0.006","7.323","0.002","90","","107.84","0.03","90","","1791.9","0.9","299","2","","","","","","","","","crystallization from CS~2~-ethanol","4","P 1 21 1","P 2yb","4","","","","- C33 H56 P2 S4 -","- C33 H56 P2 S4 -","- C66 H112 P4 S8 -","2","1","AS1173","Tani, K.; Onouchi, J.; Yamagata, T.; Kataoka, Y.","(1<i>S</i>,2<i>S</i>)-(+)-1,2-Bis[(dicyclohexyl)phosphinomethyl]cyclopentane.2CS~2~ and (±)-1,2-Bis(dicyclohexylphosphinomethyl)cyclopentane","Acta Crystallographica Section C","1995","51","10","2073","2076","10.1107/S0108270195004033","","","1.54178","CuKα","","","0.047","","","0.048","","","","","0.771","0.771","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003977","29.558","0.002","9.5439","0.0005","11.039","0.001","90","","101.157","0.009","90","","3055.2","0.4","294","1","","","","","","","","","crystallization from hexanes","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H56 P2 -","- C31 H56 P2 -","- C124 H224 P8 -","4","0.5","AS1173","Tani, K.; Onouchi, J.; Yamagata, T.; Kataoka, Y.","(1<i>S</i>,2<i>S</i>)-(+)-1,2-Bis[(dicyclohexyl)phosphinomethyl]cyclopentane.2CS~2~ and (±)-1,2-Bis(dicyclohexylphosphinomethyl)cyclopentane","Acta Crystallographica Section C","1995","51","10","2073","2076","10.1107/S0108270195004033","","","1.54178","CuKα","","","0.054","","","0.05","","","","","2.578","2.578","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003978","18.25","0.004","16.424","0.004","12.639","0.002","90","","113.56","0.02","90","","3472.6","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","p-N,N-dimethylaminobenzaldehyde-4,5-diazafluorene-9-hydrazone monohydrate.","","- C20 H19 N5 O -","- C20 H19 N5 O -","- C160 H152 N40 O8 -","8","1","AS1177","Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.","<i>p</i>-Dimethylaminobenzaldehyde 4,5-Diaza-9-fluorenylidenehydrazone Monohydrate","Acta Crystallographica Section C","1995","51","10","2078","2080","10.1107/S0108270195004446","","","0.71073","MoKα","","0.0681","0.0399","","0.0994","0.0914","","","","0.879","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003979","10.431","0.002","13.477","0.002","15.016","0.004","109.56","0.02","101.56","0.02","109.14","0.01","1761.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","S-benzyl-β-N-(dimethylaminophenyl)methylendithiocarbazate.","","- C17 H19 N3 S2 -","- C17 H19 N3 S2 -","- C68 H76 N12 S8 -","4","2","AS1178","Fun, H.-K.; Sivakumar, K.; Yip, B.-C.; Tian, Y.-P.; Duan, C.-Y.; Lu, Z.-L.; You, X.-Z.","Benzyl 3-(4-Dimethylaminobenzylidene)dithiocarbazate","Acta Crystallographica Section C","1995","51","10","2080","2083","10.1107/S0108270195004549","","","0.71069","MoKα","","0.0657","0.0464","","0.1382","0.1278","","","","1.049","1.169","1.169","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003980","15.63","0.002","7.722","0.002","12.986","0.002","90","","113.44","0.02","90","","1438","0.5","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O5 S -","- C13 H20 O5 S -","- C52 H80 O20 S4 -","4","1","AS1180","Lin, Chu-Chung; Lin, Chu-Cheng","<i>S</i>-Methyl (2<i>R</i>,6<i>S</i>,8<i>S</i>)-2,6-Dimethoxy-4-methyl-3,5-dioxatricyclo[5.2.1.0^4,9^]decane-8-thioate","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","10","2143","2145","10.1107/S0108270195005622","","","0.71069","MoKα","","","0.0556","","","0.0918","","","","","1.69","1.69","","","","","has coordinates","209436","2020-10-21","18:00:00",""
"2003981","9.374","0.002","11.217","0.001","12.015","0.002","90","","104.03","0.02","90","","1225.7","0.4","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br N O -","- C14 H12 Br N O -","- C56 H48 Br4 N4 O4 -","4","1","AS1181","Banwell, M. G.; Bridges, V. S.; Hockless, D. C. R.","1-[2(<i>Z</i>)-Bromo-3-phenyl-2-propenyl]pyridin-2(1<i>H</i>)-one","Acta Crystallographica Section C","1995","51","10","2128","2129","10.1107/S0108270195005579","","","1.5418","CuKα","","0.0397","0.035","","0.0397","0.038","","","","","2.41","2.41","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003982","11.263","0.001","18.507","0.002","7.449","0.001","90","","110.379","0.009","90","","1455.5","0.3","90","","90","","","","","","","","synthesis","2","C 1 2/c 1","-C 2yc","15","","(Z)-6,6'-dimethylbiindanylidene","","- C20 H20 -","- C20 H20 -","- C80 H80 -","4","0.5","AS1182","Harada, J.; Ogawa, K.; Tomoda, S.","`Stiff' <i>cis</i>-Stilbenes. (<i>Z</i>)-6,6'-Dimethyl-1,1'-biindanylidene and (<i>Z</i>)-4,4',7,7'-Tetramethyl-1,1'-biindanylidene","Acta Crystallographica Section C","1995","51","10","2125","2127","10.1107/S0108270195005440","","","1.54184","CuKα","","0.057","0.052","","0.066","0.066","","","","3.11","3.275","3.275","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003983","11.604","0.003","7.754","0.002","18.146","0.002","90","","102.71","0.01","90","","1592.7","0.6","90","","90","","","","","","","","synthesis","2","C 1 2/c 1","-C 2yc","15","","(Z)-4,4',7,7'-tetramethyl-1,1'-biindanylidene","","- C22 H24 -","- C22 H24 -","- C88 H96 -","4","0.5","AS1182","Harada, J.; Ogawa, K.; Tomoda, S.","`Stiff' <i>cis</i>-Stilbenes. (<i>Z</i>)-6,6'-Dimethyl-1,1'-biindanylidene and (<i>Z</i>)-4,4',7,7'-Tetramethyl-1,1'-biindanylidene","Acta Crystallographica Section C","1995","51","10","2125","2127","10.1107/S0108270195005440","","","1.54184","CuKα","","0.056","0.054","","0.073","0.073","","","","2.474","2.52","2.52","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003984","12.119","0.001","7.821","0.001","12.107","0.001","90","","105.73","0.01","90","","1104.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-9-Methyl-1,5-dioxofuro[2,3-b]decalin","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","AS1184","Ray, J. K.; Kar, G. K.; Nigam, G. D.; Sivakumar, K.; Fun, H.-K.","<i>trans</i>-4,4a,6,7,8,8a-Hexahydro-8a-methylnaphtho[2,3-<i>b</i>]furan-5,9(5<i>H</i>,9<i>H</i>)-dione","Acta Crystallographica Section C","1995","51","10","2090","2092","10.1107/S010827019500535X","","","0.71073","MoKα","","0.06","0.0424","","0.1209","0.1135","","","","0.999","1.143","1.143","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003985","9.8472","0.0005","12.2385","0.0006","23.5157","0.001","90","","101.292","0.004","90","","2779.1","0.2","302","","","","","","","","","","Evaporation from H~2~O","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H16 Co N7 S3 -","- C7 H16 Co N7 S3 -","- C56 H128 Co8 N56 S24 -","8","1","BK1060","Liu, Y.-H.; Fronczek, F. R.; Watkins, S. F.; Shaffer, G. W.; Musselman, R. L.","<i>trans</i>-Bis(isothiocyanato)bis(ethylenediamine)cobalt(III) Thiocyanate","Acta Crystallographica Section C","1995","51","10","1992","1994","10.1107/S010827019500518X","","","0.71073","MoKα","","","0.024","","","0.032","","","","","1.677","1.677","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003986","9.566","0.001","9.566","0.001","12.042","0.002","90","","90","","120","","954.3","0.2","291","","","","","","","","","","crystallized from hexane","6","P 63/m","-P 6c","176","","","","- C11 H15 Cl Fe2 O6 Si3 -","- C9 Cl3 Fe2 O6 Si3 -","- C18 Cl6 Fe4 O12 Si6 -","2","0.166667","BK1089","Simons, R. S.; Tessier, C. A.","Diiron Complex with Three Bridging Silyl Substituents","Acta Crystallographica Section C","1995","51","10","1997","1998","10.1107/S0108270195002873","","","0.71073","MoKα","","","0.0351","","","0.0429","","","","","1.44","1.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003987","5.8981","0.0006","9.235","0.001","11.101","0.002","97.85","0.01","90.38","0.01","98.87","0.01","591.59","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C3 H10 Cl2 N6 O9 -","- C3 H11 Cl2 N6 O9 -","- C6 H22 Cl4 N12 O18 -","2","1","BK1103","Martin, A.; Pinkerton, A. A.","Melaminium Diperchlorate Hydrate","Acta Crystallographica Section C","1995","51","10","2174","2177","10.1107/S0108270195003921","","","0.71073","MoKα","","0.029","0.026","","","0.035","","","","","3.35","3.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003988","8.052","0.002","5.488","0.002","19.308","0.002","90","","95.39","0.01","90","","849.4","0.4","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N4 Ni O6 -","- C14 H18 N4 Ni O6 -","- C28 H36 N8 Ni2 O12 -","2","0.5","BK1125","Okabe, N.; Tamaki, K.","Dimethanolbis(<i>N</i>-nitroso-<i>N</i>-phenylhydroxylaminato-<i>O</i>,<i>O</i>')nickel(II)","Acta Crystallographica Section C","1995","51","10","2004","2005","10.1107/S0108270195005816","","","0.71069","MoKα","","","0.033","","","0.049","","","","","2.31","2.31","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003989","15.243","0.006","15.384","0.006","29.716","0.009","90","","90","","90","","6968","4","120","0.2","120","0.2","","","","","","","see prep","3","P 21 21 21","P 2ac 2ab","19","","Methyl 2α,3β,23-triacetoxyurs-12,18-dien-28-oate","","- C37 H54 O8 -","- C37 H54 O8 -","- C296 H432 O64 -","8","2","BM1010","Cox, P. J.; Durham, D. G.; Liu, X.; Richards, R. M. E.","Methyl 2α,3β,23-Triacetoxyurs-12,18-dien-28-oate","Acta Crystallographica Section C","1995","51","10","2135","2137","10.1107/S0108270195005774","","","0.71069","MoKα","","0.1029","0.0452","","0.0891","0.0747","","","","0.644","0.898","0.898","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003990","9.9075","0.0007","12.4566","0.0013","16.047","0.002","90","","90","","90","","1980.4","0.4","294","1","294","1","","","","","","","see prep","4","P 21 21 21","P 2ac 2ab","19","","(3R,4R,4aS,10aR)-5-acetyl-3,4,4a,5,6,7,10,10a-octahydro-8-methoxy-7-methyl-6- oxo-2H-pyrano[3,2-g]pteridin-3,4-diyl diacetate","","- C17 H22 N4 O8 -","- C17 H22 N4 O8 -","- C68 H88 N16 O32 -","4","1","BM1014","Low, J. N.; Cadoret, E.; Ferguson, G.; López, M. D.; Quijano, M. L.; Sánchez, A.; Nogueras, M.","A Triacetyl Derivation of a Pyrano[3,2-<i>g</i>]pteridine","Acta Crystallographica Section C","1995","51","10","2141","2143","10.1107/S0108270195005956","","","0.71073","MolybdenumKα","","0.082","0.042","","0.058","0.052","","","","","1.37","1.37","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003991","9.561","0.002","5.557","0.002","6.179","0.002","90","","98.85","0.02","90","","324.38","0.17","296","","","","","","","","","","grown from melt composition of BaNaBO~3~","4","C 1 2/m 1","-C 2y","12","","","","- B Ba Na O3 -","- B Ba Na O3 -","- B4 Ba4 Na4 O12 -","4","0.5","BR1082","Tu, J.-M.; Keszler, D. A.","BaNaBO~3~","Acta Crystallographica Section C","1995","51","10","1962","1964","10.1107/S010827019400750X","","","0.71069","MoKα","","","0.033","","","0.04","","","","","1.39","1.39","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003992","10.9547","0.0009","8.4281","0.0007","18.962","0.002","90","","90.314","0.007","90","","1750.7","0.3","150","","150","","","","","","","","from silicate melt","4","P 1 21/m 1","-P 2yb","11","cesium-lithium phyllosilicate","cesium-lithium phyllosilicate'","","- Cs1.33 Li0.67 O5 Si2 -","- Cs1.33333 Li0.666667 O5 Si2 -","- Cs16 Li8 O60 Si24 -","12","3","BR1107","Veldman, N.; Spek, A. L.; Supèr, H. T. J.; de Jong, B. H. W. S.","Caesium‒Lithium Phyllosilicate, Cs~1.33~Li~0.67~Si~2~O~5~","Acta Crystallographica Section C","1995","51","10","1972","1975","10.1107/S0108270195005257","","","0.71073","MoKα","","0.0452","0.0394","","0.115","0.144","","","","1.13","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003993","10.099","0.003","15.04","0.004","9.917","0.002","90","","98.05","0.02","90","","1491.4","0.7","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H24 Cu N6 O6 -","- C8 H24 Cu N6 O6 -","- C32 H96 Cu4 N24 O24 -","4","0.5","DE1004","Narayanan, B.; Bhadbhade, M. M.","Non-Thermochromic Bis(<i>N</i>,<i>N</i>-dimethylethylenediamine)copper(II) Dinitrate","Acta Crystallographica Section C","1995","51","10","2016","2018","10.1107/S0108270195004859","","","0.71073","MoKα","","","0.03","","","0.055","","","","","1.75","1.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003994","24.122","0.003","13.321","0.002","7.509","0.001","90","","101.6","0.01","90","","2363.6","0.6","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 N3 S2 -","- C11 H11 N3 S2 -","- C88 H88 N24 S16 -","8","1","DU1107","Toledano, P.; Ait Itto, M. Y.; Hasnaoui, A.","2-Méthyl-7-phényl-3,5-dithioxo-3,4,5,6-tétrahydro-2<i>H</i>-1,2,4-triazépine","Acta Crystallographica Section C","1995","51","10","2066","2068","10.1107/S0108270195001314","","","0.71069","MoKα","","","0.0327","","","0.0317","","","","","3.73","3.73","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003995","7.8067","0.0006","12.3221","0.001","10.4078","0.001","90","","111.174","0.007","90","","933.59","0.14","293","2","293","2","","","","","","","synthesis","4","C 1 2/c 1","-C 2yc","15","","Potassium Yttrium Tetrametaphosphate","","- K O12 P4 Y -","- K O12 P4 Y -","- K4 O48 P16 Y4 -","4","0.5","DU1117","Hamady, A.; Jouini, T.; Driss, A.","KYP~4~O~12~","Acta Crystallographica Section C","1995","51","10","1970","1972","10.1107/S0108270195002381","","","0.7106","MoKα","","0.0298","0.0264","","0.0661","0.0648","","","","1.117","1.138","1.138","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003996","12.326","0.003","7.088","0.002","12.365","0.003","90","","110.08","0.02","90","","1014.6","0.5","293","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Cd4 Ge S6 -","- Cd4 Ge S6 -","- Cd16 Ge4 S24 -","4","1","DU1119","Julien-Pouzol, M.; Jaulmes, S.","Redétermination de la Structure du Sulfure de Cadmium et de Germanium, Cd~4~GeS~6~","Acta Crystallographica Section C","1995","51","10","1966","1968","10.1107/S0108270195003763","","","0.71069","MoKα","","","0.0407","","","0.0508","","","","","0.28","0.28","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003997","8.849","0.002","15.53","0.003","10.422","0.003","90","","108.04","0.02","90","","1361.8","0.6","293","2","293","2","","","","","","","Stenborn & Ludwig (1993b)","6","P 1 21 1","P 2yb","4","","Bis(dimethylglyoximato-N,N')(methyl)(triphenylphosphine)rhodium(III)","","- C27 H32 N4 O4 P Rh -","- C27 H32 N4 O4 P Rh -","- C54 H64 N8 O8 P2 Rh2 -","2","1","FG1053","Potočňák, I.; Dunaj-Jurčo, M.; Ludwig, M.; Steinborn, D.","Bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(methyl)(triphenylphosphine)rhodium(III)","Acta Crystallographica Section C","1995","51","10","1999","2001","10.1107/S0108270195004240","","","0.71069","MoKα","","0.0313","0.0202","","0.1229","0.0496","","","","0.981","1.012","1.012","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003998","6.155","0.001","32.871","0.005","9.27","0.001","90","","100.87","0.01","90","","1841.9","0.5","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 N2 O Se2 -","- C8 H7 N2 O Se2 -","- C64 H56 N16 O8 Se16 -","8","2","FG1061","Parvez, M.; Boeré, R. T.; Moock, K. H.","A Dimer of 4-(4-Methoxyphenyl)-1,2,3,5-diselenadiazole","Acta Crystallographica Section C","1995","51","10","2118","2121","10.1107/S0108270195004252","","","0.71069","MoKα","","","0.053","","","0.053","","","","","2.07","2.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003999","19.244","0.007","19.244","0.007","9.651","0.002","90","","90","","120","","3095.2","1.7","293","1","293","1","","","","","","","Synthesised by Gleiter et al, 1984","4","R -3 :H","-R 3","148","3,7-bis(tert-Butyl)-1,5,2,4,6,8-dithiatetrazocine","","","- C10 H18 N4 S2 -","- C10 H18 N4 S2 -","- C90 H162 N36 S18 -","9","0.5","FG1068","Parvez, M.; Boeré, R. T.; Derrick, S.; Moock, K. H.","3,7-Di-<i>tert</i>-butyl-1,5,2,4,6,8-dithiatetrazocine","Acta Crystallographica Section C","1995","51","10","2116","2118","10.1107/S010827019500521X","","","0.71069","MoKα","","0.0711","0.0384","","0.1339","0.1141","","","","0.952","0.984","0.984","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004000","9.992","0.001","13.743","0.002","14.885","0.002","90","","91.35","0.01","90","","2043.4","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[tricarbonyl(tri-isopropyl phosphite)cobalt] dichloromethane solvate","","- C25 H44 Cl2 Co2 O12 P2 -","- C25 H42 Cl1.98 Co2 O12 P2 -","- C50 H84 Cl3.96 Co4 O24 P4 -","2","0.5","FG1073","Farrar, D. H.; Lough, A. J.; Poë, A. J.; Stromnova, T. A.","Bis[tricarbonyl(triisopropyl phosphite)cobalt](<i>Co</i>—<i>Co</i>) Dichloromethane Solvate","Acta Crystallographica Section C","1995","51","10","2008","2010","10.1107/S0108270195005014","","","0.71073","MoKα","","0.1494","0.0472","","0.1428","0.107","","","","1.005","1.093","1.093","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004001","8.586","0.008","15.286","0.011","15.606","0.008","94.57","0.04","92.31","0.04","100.58","0.04","2004","3","295","2","","","","","","","","","?","5","P -1","-P 1","2","","","","- C22 H16 N2 S Se2 -","- C22 H16 N2 S Se2 -","- C88 H64 N8 S4 Se8 -","4","2","","Billing, David G.; Levendis, Demetrius C.; Reid, David H.; Rose, Beate G.","3,5-Diphenyl-2-(2-pyridylamino)-1-thia-6,6aλ^4^-diselenapentalene","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","10","2057","2059","10.1107/s0108270195001119","","","0.71067","MoKα","","","0.055","","","0.1576","","","","","0.895","0.895","","","","","has coordinates","200796","2020-10-21","18:00:00",""
"2004002","9.036","0.001","19.834","0.001","12.16","0.001","90","","100.81","0.01","90","","2140.6","0.3","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl2 N8 O2 S2 -","- C14 H22 Cl2 N8 O2 S2 -","- C56 H88 Cl8 N32 O8 S8 -","4","1","HR1053","Urtiaga, M. K.; Arriortua, M. I.; García-Tojal, J.; Rojo, T.","Pyridine-2-carbaldehyde Thiosemicarbazone Hydrochloride Monohydrate, 2C~7~H~9~N~4~S^+^.2Cl^{-^}.2H~2~O","Acta Crystallographica Section C","1995","51","10","2172","2174","10.1107/S0108270195005324","","","0.71073","MoKα","","","0.064","","","0.1631","","","","","1.113","1.113","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2004003","10.497","0.006","8.405","0.004","17.17","0.01","90","","95.59","0.03","90","","1507.7","1.4","293","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 N -","- C21 H15 N -","- C84 H60 N4 -","4","1","HU1097","Ahmet, M. T.; Miller, J. R.; Osborne, A. G.; Warmsley, J. F.","2,4-Diphenylquinoline and its Sterically Hindered Derivative 3-Methyl-2,4-diphenylquinoline","Acta Crystallographica Section C","1995","51","10","2105","2108","10.1107/S0108270195002794","","","0.71073","MoKα","","","0.0349","","","0.0359","","","","","0.253","0.253","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004004","8.273","0.002","10.248","0.003","11.113","0.002","111.87","0.02","103.61","0.01","101.35","0.02","806.5","0.4","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H17 N -","- C22 H17 N -","- C44 H34 N2 -","2","1","HU1097","Ahmet, M. T.; Miller, J. R.; Osborne, A. G.; Warmsley, J. F.","2,4-Diphenylquinoline and its Sterically Hindered Derivative 3-Methyl-2,4-diphenylquinoline","Acta Crystallographica Section C","1995","51","10","2105","2108","10.1107/S0108270195002794","","","0.71073","MoKα","","","0.06","","","0.0631","","","","","0.478","0.478","","","","","has coordinates","198482","2020-10-21","18:00:00",""
"2004005","5.274","0.001","12.087","0.001","20.053","0.002","90","","90","","90","","1278.3","0.3","296","2","296","2","","","","","","","SIGMA Chemical Co.","4","P b c a","-P 2ac 2ab","61","DL- PROLINE MONOHYDRATE","DL- PROLINE MONOHYDRATE","","- C5 H11 N O3 -","- C5 H11 N O3 -","- C40 H88 N8 O24 -","8","1","HU1113","Padmanabhan, S.; Suresh, S.; Vijayan, M.","<small>DL</small>-Proline Monohydrate","Acta Crystallographica Section C","1995","51","10","2098","2100","10.1107/S0108270195003465","","","0.71068","MoKα","","0.0475","0.0391","","0.1107","0.1066","","","","1.049","1.098","1.098","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004006","12.563","0.003","14.083","0.004","15.308","0.003","90","","102.17","0.02","90","","2647.5","1.1","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Cyano-2-(2,3,6,7-tetramethoxy-10-diethylaminomethylphenanthr-9-yl)pyrrolidine","","- C29 H37 N3 O4 -","- C29 H37 N3 O4 -","- C116 H148 N12 O16 -","4","1","HU1121","Kabaleeswaran, V.; Rajan, S. S.; Thiruvalluvar, A.; Parthasarathi, V.","2-(10-Diethylaminomethyl-2,3,6,7-tetramethoxy-9-phenanthrylmethyl)-1-pyrrolidinecarbonitrile","Acta Crystallographica Section C","1995","51","10","2189","2192","10.1107/S0108270195003428","","","1.5418","CuKα","","","0.067","","","0.072","","","","","1.8","1.8","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2004007","3.8437","0.0003","3.8437","0.0003","12.688","0.0015","90","","90","","90","","187.45","0.03","296","2","296","2","","","","","","","","4","I 4/m m m","-I 4 2","139","strontium lanthanum gallate","strontium lanthanum gallate","","- Ga La O4 Sr -","- Ga La O4 Sr -","- Ga2 La2 O8 Sr2 -","2","0.0625","JZ1003","Britten, J. F.; Dabkowska, H. A.; Dabkowski, A. B.; Greedan, J. E.; Campbell, J. L.; Teesdale, W. J.","Czochralski-Grown SrLaGaO~4~","Acta Crystallographica Section C","1995","51","10","1975","1977","10.1107/S0108270194011820","","","0.56086","AgKα","","0.0324","0.0272","","0.0679","0.0662","","","","1.156","1.187","1.187","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004008","8.544","0.003","13.193","0.001","13.616","0.001","90","","90.23","0.02","90","","1534.8","0.6","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","stilbene-carbamate 1","4-[2-(4'-nitrophenyl)ethenyl]phenylcarbamic acid ethyl ester","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C68 H64 N8 O16 -","4","1","JZ1028","Soto Bustamante, E. A.; Hanemann, T.; Haase, W.; Svoboda, I.; Fuess, H.","Two New Stilbene Carbamates","Acta Crystallographica Section C","1995","51","10","2192","2196","10.1107/S0108270195004847","","","0.71069","MoKα","","0.0555","","","0.1369","","","","","1.116","1.152","1.152","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004009","8.607","0.002","33.918","0.008","11.43","0.002","90","","90.54","0.02","90","","3336.6","1.2","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","stilbene-carbamate 2","4-[2-(2',4'-dinitrophenyl)ethenyl]phenylcarbamic acid ethyl ester","","- C17 H15 N3 O6 -","- C17 H15 N3 O6 -","- C136 H120 N24 O48 -","8","2","JZ1028","Soto Bustamante, E. A.; Hanemann, T.; Haase, W.; Svoboda, I.; Fuess, H.","Two New Stilbene Carbamates","Acta Crystallographica Section C","1995","51","10","2192","2196","10.1107/S0108270195004847","","","0.71069","MoKα","","0.0802","","","0.2022","","","","","1.044","1.011","1.011","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004010","12.38","0.01","10.11","0.01","11.44","0.01","123.2","0.1","77.9","0.1","100","0.1","1168","2","286","","288","","","","","","","","","5","P -1","-P 1","2","","bis(tetraphenylphosphonium) tetraazidodimethylstannate(II)","","- C50 H46 N12 P2 Sn -","- C50 H46 N12 P2 Sn -","- C50 H46 N12 P2 Sn -","1","0.5","JZ1036","Halfpenny, J.","Bis(tetraphenylphosphonium) Tetraazidodimethylstannate(IV)","Acta Crystallographica Section C","1995","51","10","2044","2046","10.1107/S0108270195005269","","","0.7107","MoKα","","","0.038","","","0.038","","","","","0.427","0.427","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004011","15.305","0.004","3.8628","0.0004","7.467","0.002","90","","105.34","0.04","90","","425.72","0.18","293","1","293","1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Tantal(IV)oxiddiiodid","","- I2 O Ta -","- I2 O Ta -","- I8 O4 Ta4 -","4","0.5","JZ1041","Ruck, M.","TaOI~2~: Eine zentrosymmetrische Variante der NbOI~2~-Struktur","Acta Crystallographica Section C","1995","51","10","1960","1962","10.1107/S0108270195003799","","","0.71073","MoKα","","0.0894","0.0467","","0.0614","0.0539","","","","1.006","1.079","1.079","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004012","6.19","0.001","12.278","0.001","14.11","0.001","110.79","0.01","99.18","0.01","103.87","0.01","937.3","0.2","296","","","","","","","","","","see text","6","P -1","-P 1","2","","","","- C16 H22 Au O P Si -","- C16 H22 Au O P Si -","- C32 H44 Au2 O2 P2 Si2 -","2","1","JZ1043","Bauer, A.; Schier, A.; Schmidbaur, H.","(Methyldiphenylphosphine)(trimethylsiloxy)gold(I)","Acta Crystallographica Section C","1995","51","10","2030","2032","10.1107/S0108270195003775","","","0.71073","MoKα","","","0.0277","","","0.0303","","","","","1.24","1.24","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004013","14.397","0.001","17.432","0.001","8.535","0.001","90","","112.6","0.01","90","","1977.5","0.3","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cu N4 O5 -","- C20 H22 Cu0.5 N4 O4.5 -","- C80 H88 Cu2 N16 O18 -","4","0.5","JZ1045","Tosik, A.; Sieron, L.; Bukowska-Strzyzewska, M.","Heptacoordinate Cu^II^ in <i>catena</i>-Poly[aquabis(benzimidazole-<i>N</i>^3^)copper(II)-μ-adipato-<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']","Acta Crystallographica Section C","1995","51","10","1985","1987","10.1107/S0108270195005968","","","1.54184","CuKα","","","0.044","","","0.118","","","","","1.037","1.037","","","","","has coordinates,has disorder","192020","2020-10-21","18:00:00",""
"2004014","6.724","0.001","8.721","0.001","18.692","0.003","90","","90","","90","","1096.1","0.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cu N2 O5 -","- C10 H10 Cu N2 O5 -","- C40 H40 Cu4 N8 O20 -","4","1","JZ1046","Tosik, A.; Sieron, L.; Bukowska-Strzyzewska, M.","<i>catena</i>-Poly[aqua(benzimidazole-<i>N</i>^3^)copper(II)-μ-malonato-<i>O</i>,<i>O</i>'':<i>O</i>']","Acta Crystallographica Section C","1995","51","10","1987","1989","10.1107/S0108270195004707","","","1.54184","CuKα","","","0.0462","","","0.047","","","","","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004015","6.225","0.002","9.369","0.002","10.794","0.002","87.54","0.02","73.81","0.02","83.7","0.02","600.9","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N2 O2 Si2 -","- C24 H34 N2 O2 Si2 -","- C24 H34 N2 O2 Si2 -","1","0.5","JZ1048","Pohl, E.; Herbst-Irmer, R.; Huhn, T.; Groth, U.","A Diaza-<i>cyclo</i>-tetradecadiene‒Bis(pyrido-silafuran) Ring System","Acta Crystallographica Section C","1995","51","10","2145","2147","10.1107/S0108270195005117","","","0.71073","MoKα","","0.062","0.0563","","0.1609","0.1506","","","","1.098","1.092","1.092","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004016","10.817","0.005","12.62","0.004","11.502","0.004","90","","91.44","0.02","90","","1569.6","1","293","","293","","","","","","","","","3","I 1 a 1","I -2ya","9","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C76 H80 O8 -","4","1","KA1116","Judas, N.; Kaitner, B.; Mestrovic, E.","3,3-Dibenzylpentane-2,4-dione, C~19~H~20~O~2~","Acta Crystallographica Section C","1995","51","10","2123","2125","10.1107/S0108270195004690","","","0.7093","MolybdenumKα","","","0.032","","","0.043","","","","","1.06","1.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004017","11.683","0.002","12.388","0.003","15.978","0.003","75.62","0.03","86","0.03","65.12","0.03","2030.5","0.9","295","","","","","","","","","","see text","4","P -1","-P 1","2","","","","- C48 H24 Gd N13 -","- C48 H24 Gd N13 -","- C96 H48 Gd2 N26 -","2","1","KA1117","Janczak, J.; Kubiak, R.","Gadolinium(III) Bicyclic Phthalocyanine","Acta Crystallographica Section C","1995","51","10","2039","2042","10.1107/S0108270195005300","","","0.71073","MoKα","","","0.047","","","0.068","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004018","10.293","0.012","14.21","0.03","15.6","0.03","90","0.02","90","0.05","90","0.06","2282","7","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C96 H120 N8 O16 -","4","1","KA1122","Weber, H. P.; Ettmayer, P.; Hübner, M.; Gstach, H.","(3<i>R</i>,4<i>S</i>,5<i>S</i>)-5-Benzyl-4-hydroxy-3-[1(<i>S</i>)-(1,1-dimethylethoxycarbonylamino)-2-phenylethyl]pyrrolidin-2-one","Acta Crystallographica Section C","1995","51","10","2139","2141","10.1107/S010827019500504X","","","1.54184","CuKα","","","0.068","","","0.069","","","","","3.113","3.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004019","9.065","0.001","21.295","0.003","21.976","0.003","90","","98.669","0.001","90","","4193.8","0.9","296","2","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 Cl Co2 La O20 P6 -","- C22 H50 Cl Co2 La O20 P6 -","- C88 H200 Cl4 Co8 La4 O80 P24 -","4","1","KH1012","Cho, I. Y.; Yeo, H. J.; Jeong, J. H.; Song, C. E.","Di(aqua)bis[(η^5^-cyclopentadienyl)tris(dimethylphosphito-<i>P</i>)cobalt-<i>O</i>,<i>O</i>',<i>O</i>'']lanthanum(III) Chloride","Acta Crystallographica Section C","1995","51","10","2035","2037","10.1107/S0108270195000473","","","0.71073","MoKα","","","0.039","","","0.048","","","","","1.068","1.068","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2004020","7.037","0.001","7.645","0.001","13.445","0.001","90","","90","","90","","723.31","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Hydrazinium L-tartrate","","- C4 H10 N2 O6 -","- C4 H10 N2 O6 -","- C16 H40 N8 O24 -","4","1","KH1026","Fun, H.-K.; Sivakumar, K.; Jiang, Y.-Z.; Sun, J.; Zhou, Z.-Y.","Hydrazinium <small>L</small>-Tartrate","Acta Crystallographica Section C","1995","51","10","2085","2087","10.1107/S0108270195005488","","","0.71073","MoKα","","0.0363","0.0314","","0.0811","0.0791","","","","0.989","1.053","1.053","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004021","9.082","0.002","10.778","0.002","11.088","0.003","76.93","0.01","83.41","0.01","80.78","0.01","1040.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","7-dimethylamino-4-methylcoumarin","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","2","KH1033","Yip, B.-C.; Yaw, O.-L.; Ong, L.-H.; Fun, H.-K.; Sivakumar, K.","Coumarin 311","Acta Crystallographica Section C","1995","51","10","2087","2089","10.1107/S0108270195005476","","","0.71073","MoKα","","0.0658","0.0523","","0.1688","0.1688","","","","1.116","1.241","1.241","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004022","5.425","0.001","17.618","0.002","12.173","0.002","90","","97.07","0.02","90","","1154.6","0.3","293","","","","","","","","","","synthesis and recrystallization","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O S -","- C14 H12 O S -","- C56 H48 O4 S4 -","4","1","KH1036","Wong, W.-T.; Lee, S.-M.","2-(Phenylmethylthio)benzaldehyde","Acta Crystallographica Section C","1995","51","10","2137","2139","10.1107/S0108270195005981","","","0.71073","MoKα","","","0.038","","","0.062","","","","","1.912","1.912","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004023","27.511","0.005","6.666","0.003","17.351","0.003","90","","115.3","0.03","90","","2876.8","1.6","296","","296","","","","","","","","synthesized at UMIST","4","C 1 2/c 1","-C 2yc","15","","Ethyl-6,7-bis(trifluoromethyl)isocumarin-3-carboxylate","","- C14 H8 F6 O4 -","- C14 H8 F6 O4 -","- C112 H64 F48 O32 -","8","1","LI1134","Abubakar, A. B.; Pritchard, R. G.; Suliman, N. N. E.; Tipping, A. E.","Ethyl 6,7-Bis(trifluoromethyl)isocoumarin-3-carboxylate: Formed by a Novel Diels‒Alder Cycloaddition Involving Two Different α,β-Unsaturated Esters","Acta Crystallographica Section C","1995","51","10","2100","2102","10.1107/S0108270195004781","","","0.71069","MoKα","","","0.068","","","0.042","","","","","1.93","1.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004024","9.426","0.002","17.744","0.004","12.137","0.002","90","","102.04","0.03","90","","1985.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bromodichloromethylphenylmercury","","","- C7 H5 Br Cl2 Hg -","- C7 H5 Br1.002 Cl1.998 Hg -","- C56 H40 Br8.016 Cl15.984 Hg8 -","8","2","MD1001","Bachman, R. E.; Maughon, B. R.; McCord, D. J.; Whitmire, K. H.; Billups, W. E.","(Bromodichloromethyl)phenylmercury","Acta Crystallographica Section C","1995","51","10","2033","2035","10.1107/S0108270195004501","","","0.71073","MoKα","","0.1367","0.0467","","0.0957","0.0738","","","","1.037","1.099","1.099","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004025","8.127","0.005","9.952","0.002","9.992","0.003","72.17","0.02","76.76","0.03","68.31","0.03","708.7","0.5","293","","","","","","","","","","recrystallized from chloroform","5","P -1","-P 1","2","","","","- C14 H12 I N Te -","- C14 H12 I N Te -","- C28 H24 I2 N2 Te2 -","2","1","MU1134","Hamor, T. A.; Maslakov, A. G.; McWhinnie, W. R.","1-Iodo-2-<i>p</i>-tolyl-1-tellura-2-azaindene","Acta Crystallographica Section C","1995","51","10","2062","2064","10.1107/S0108270194010802","","","0.71069","MoKα","","","0.0278","","","0.0382","","","","","0.67","0.67","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004026","15.967","0.001","15.967","0.001","15.348","0.004","90","","90","","90","","3912.9","1.1","296","","296","","","","","","","","","7","I 41/a :2","-I 4ad","88","","poly[bis-{μ~2~-(bromo)-copper(I)}-bis-μ~3~-(N,N-diethyldithiocarbamato- S,S,S',S')platinum(II)]","","- C10 H20 Br2 Cu2 N2 Pt S4 -","- C10 Br2 Cu2 N2 Pt0.5 S4 -","- C80 Br16 Cu16 N16 Pt4 S32 -","8","0.5","MU1152","Tokoro, K.; Ebihara, M.; Kawamura, T.","(Cu<i>X</i>)~<i>n~</i> Helical Chains in [Pt(S~2~CNEt~2~)~2~Cu~2~<i>X</i>~2~] (<i>X</i> = Br, Cl)","Acta Crystallographica Section C","1995","51","10","2010","2013","10.1107/S0108270195001855","","","0.7107","MolybdenumKα","","","0.045","","","0.041","","","","","1.56","1.56","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004027","15.835","0.002","15.835","0.002","15.037","0.003","90","","90","","90","","3770.5","1","296","","296","","","","","","","","","7","I 41/a :2","-I 4ad","88","","poly[bis-{μ~2~-(chloro)-copper(I)}-bis-μ~3~-(N,N-diethyldithiocarbamato- S,S,S',S')-platinum(II)]","","- C10 H20 Cl2 Cu2 N2 Pt S4 -","- C10 Cl2 Cu2 N2 Pt0.5 S4 -","- C80 Cl16 Cu16 N16 Pt4 S32 -","8","0.5","MU1152","Tokoro, K.; Ebihara, M.; Kawamura, T.","(Cu<i>X</i>)~<i>n~</i> Helical Chains in [Pt(S~2~CNEt~2~)~2~Cu~2~<i>X</i>~2~] (<i>X</i> = Br, Cl)","Acta Crystallographica Section C","1995","51","10","2010","2013","10.1107/S0108270195001855","","","0.7107","MolybdenumKα","","","0.038","","","0.037","","","","","1.73","1.73","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004028","17.55","0.012","11.75","0.008","18.531","0.009","90","","91.52","0.04","90","","3820","4","150","0.2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4,7,10,13-pentaoxa-16,19-dithiacyclohenicosane sesquihydrate","","- C14 H31 O6.5 S2 -","- C14 H31 O6.5 S2 -","- C112 H248 O52 S16 -","8","2","MU1168","Blake, A. J.; Gould, R. O.; Harris, S. G.; Parsons, S.; Radek, C.; Schröder, M.","1,4,7,10,13-Pentaoxa-16,19-dithiacyclohenicosane Sesquihydrate at 150 K","Acta Crystallographica Section C","1995","51","10","2186","2189","10.1107/S0108270195005142","","","0.71073","Mo-Kα","","0.1352","0.0714","","0.2805","0.1766","","","","1.097","1.172","1.172","","","","","has coordinates,has disorder","194562","2020-10-21","18:00:00",""
"2004029","10.859","0.002","18.443","0.003","15.299","0.005","90","","92.66","0.02","90","","3060.7","1.3","293","2","293","2","","","","","","","see below","6","P 1 21/n 1","-P 2yn","14","","Tris(diethyldithiocarbamato)-4-methoxyphenyltellurium(IV)","","- C22 H37 N3 O S6 Te -","- C22 H37 N3 O S6 Te -","- C88 H148 N12 O4 S24 Te4 -","4","1","MU1172","Husebye, S.; Lindeman, S. V.","Tris(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV), <i>p</i>-MeOC~6~H~4~Te(S~2~CNEt~2~)~3~, and the Triclinic Modification of Tris(diethyldithiocarbamato)phenyltellurium(IV), PhTe(S~2~CNEt~2~)~3~","Acta Crystallographica Section C","1995","51","10","2152","2157","10.1107/S0108270195005154","","","0.71069","MoKα","","0.1063","0.0328","","0.1631","0.0849","","","","1.093","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004030","11.1827","0.0007","16.0827","0.0015","17.383","0.0013","108.3","0.007","100.623","0.006","96.12","0.006","2871.6","0.4","293","2","293","2","","","","","","","see below","5","P -1","-P 1","2","","Tris(diethyldithiocarbamato)phenyltellurium(IV)","","- C21 H35 N3 S6 Te -","- C21 H35 N3 S6 Te -","- C84 H140 N12 S24 Te4 -","4","2","MU1172","Husebye, S.; Lindeman, S. V.","Tris(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV), <i>p</i>-MeOC~6~H~4~Te(S~2~CNEt~2~)~3~, and the Triclinic Modification of Tris(diethyldithiocarbamato)phenyltellurium(IV), PhTe(S~2~CNEt~2~)~3~","Acta Crystallographica Section C","1995","51","10","2152","2157","10.1107/S0108270195005154","","","0.71069","MoKα","","0.0814","0.0327","","0.1085","0.0797","","","","1.066","1.118","1.118","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004031","17.067","0.007","8.425","0.003","9.597","0.004","90","","90","","90","","1379.9","0.9","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","(3S,4R,7S,8R,9R)-4-methyl-7-(2-propyl)-4,5,6,7,8,9-hexahydro-2-oxo- 3-benzofuranoic acid","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","MU1174","Adovasio, V.; Nardelli, M.; Chelucci, G.; Saba, A.","Configuration and Conformation of (3<i>S</i>,3a<i>R</i>,4<i>R</i>,7<i>S</i>,7a<i>S</i>)-4-Methyl-7-(2-propyl)-2-oxo-2,3,3a,4,5,6,7,7a-octahydro-3-benzofurancarboxylic Acid","Acta Crystallographica Section C","1995","51","10","2166","2169","10.1107/S0108270195005361","","","1.54178","Cu-Kα","","0.0977","0.038","","0.1298","0.0891","","","","0.817","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004032","6.922","0.001","12.297","0.001","6.922","0.001","90","","113.85","0.01","90","","538.89","0.13","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H8 Cu N6 O8 -","- C6 H8 Cu N6 O8 -","- C12 H16 Cu2 N12 O16 -","2","0.5","MU1175","Simonsen, O.; la Cour, A.","A Copper‒Nitromalonamide Complex","Acta Crystallographica Section C","1995","51","10","2006","2008","10.1107/S0108270195005270","","","0.71073","MoKα","","0.031","0.027","","0.027","0.027","","","","7.287","7.678","7.678","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004033","11.103","0.004","13.223","0.007","17.079","0.006","90","","95.29","0.04","90","","2496.8","1.8","296","","","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 Mn N3 O4 -","- C29 H24 Mn N3 O4 -","- C116 H96 Mn4 N12 O16 -","4","1","MU1177","Xiong, R.-G.; You, X.-Z.; Wu, Q.-J.; Huang, X.-Y.","Tris(8-quinolinolato-<i>N</i>,<i>O</i>)manganese(III) Ethanol Solvate","Acta Crystallographica Section C","1995","51","10","1978","1980","10.1107/S0108270195005373","","","0.71069","MoKα","","","0.064","","","0.069","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004034","10.668","0.001","14.687","0.002","18.82","0.002","90","","90","","90","","2948.7","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-phenyl-6,7,8,9-tetrahydro-[1,2,4]triazolo-[4,3-a]thieno[3,2-e]pyrimidin- 5(4H)-one.","","- C17 H14 N4 O S -","- C17 H13.4 N4 O S -","- C136 H107.2 N32 O8 S8 -","8","1","MU1178","Velavan, R.; Sivakumar, K.; Pathak, U. S.; Jain, K. S.; Singh, S.; Fun, H.-K.","4-Phenyl-6,7,8,9-tetrahydro-[1]benzothieno[3,2-<i>e</i>][1,2,4]triazolo[4,3-<i>a</i>]pyrimidin-5(4<i>H</i>)-one","Acta Crystallographica Section C","1995","51","10","2092","2094","10.1107/S0108270195005129","","","0.71073","MoKα","","0.0459","0.0341","","0.0996","0.0938","","","","1.037","1.112","1.112","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004035","6.85","0.004","12.852","0.005","15.537","0.005","90","","96.33","0.04","90","","1359.5","1.1","291","","","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Au B Cl2 F4 N2 -","- C10 H8 Au B Cl2 F4 N2 -","- C40 H32 Au4 B4 Cl8 F16 N8 -","4","1","MU1181","McInnes, E. J. L.; Welch, A. J.; Yellowlees, L. J.","2,2'-Bipyridinedichlorogold(III) Tetrafluoroborate","Acta Crystallographica Section C","1995","51","10","2023","2025","10.1107/S0108270195005099","","","0.71073","MoKα","","","0.0437","","","0.0592","","","","","1.284","1.284","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004036","30.195","0.004","30.195","0.004","14.871","0.002","90","","90","","120","","11742","3","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","Tetrameric copper(II) complex of 6-hydroxy-1-phenyl-3-methyl-4-azahexa-3- en-1-one","","- C48 H52 Cu4 N4 O8 -","- C48 H52 Cu4 N4 O8 -","- C432 H468 Cu36 N36 O72 -","9","1","MU1182","Fun, H.-K.; Yip, B.-C.; Song, B.-L.; Xiong, R.-G.; You, X.-Z.","Tetrameric Copper(II) Complex of 6-Hydroxy-3-methyl-1-phenyl-4-azahexa-3-en-1-one","Acta Crystallographica Section C","1995","51","10","1980","1982","10.1107/S0108270195005634","","","0.71073","MoKα","","0.0566","0.0473","","0.1342","0.1294","","","","1.036","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004037","10.2314","0.0009","12.1988","0.0013","12.4854","0.0006","89.937","0.006","102.916","0.006","111.827","0.007","1404.2","0.2","298","","298","2","","","","","","","","5","P -1","-P 1","2","","Bromotriphenyl(diphenylcyclopropenone)lead","","- C33 H25 Br O Pb -","- C33 H25 Br O Pb -","- C66 H50 Br2 O2 Pb2 -","2","1","MU1189","Ng, S. W.","Bromo(diphenylcyclopropenone)triphenyllead","Acta Crystallographica Section C","1995","51","10","2042","2044","10.1107/S0108270195005397","","","0.71073","MoKα","","0.1276","0.0545","","0.1069","0.0846","","","","1.025","1.091","1.091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004038","7.45","0.002","13.184","0.002","10.388","0.001","90","","100.87","0.01","90","","1002","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cd(Sacch)~2~(NH~3~)~4~","Tetra-amminebis(1,2-benzisothiazol-3(2H)-one 1,1-dioxide)-N-cadmium","","- C14 H20 Cd N6 O6 S2 -","- C14 H20 Cd N6 O6 S2 -","- C28 H40 Cd2 N12 O12 S4 -","2","0.5","NA1152","Pascual, I.","Tetraamminebis(saccharinato-<i>N</i>)cadmium","Acta Crystallographica Section C","1995","51","10","2028","2030","10.1107/S0108270195002903","","","0.71073","MoKα","","0.2006","0.0651","","0.1208","0.0908","","","","1.036","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004039","49.34","0.01","10.675","0.002","9.372","0.002","90","","98.22","0.02","90","","4885.6","1.7","293","","293","","","","","","","","Janssen Research Foundation, Beerse, Belgium","5","C 1 c 1","C -2yc","9","","1-[(4-Fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]- 1H-benzimidazol-2-amine","","- C28 H31 F N4 O -","- C28 H31 F N4 O -","- C224 H248 F8 N32 O8 -","8","2","NA1156","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","1-[(4-Fluorophenyl)methyl]-<i>N</i>-{1-[2-(4-methoxyphenyl)ethyl]-4-piperidyl}-1<i>H</i>-benzimidazol-2-amine (Astemizole)","Acta Crystallographica Section C","1995","51","10","2132","2135","10.1107/S0108270195004331","","","1.54184","CuKα","","0.0547","0.0396","","0.1225","0.1065","","","","1.054","1.067","1.067","","","","","has coordinates","198442","2020-10-21","18:00:00",""
"2004040","6.139","0.003","9.231","0.005","13.273","0.004","90","","97.26","0.05","90","","746.1","0.6","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N S2 -","- C6 H9 N S2 -","- C24 H36 N4 S8 -","4","1","NA1157","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Five-, Six- and Seven-Membered-Ring Substituted Thiazolidine-2-thione","Acta Crystallographica Section C","1995","51","10","2113","2116","10.1107/S010827019500432X","","","0.71073","MoKα","","","0.036","","","0.044","","","","","1.356","1.356","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004041","5.359","0.002","10.433","0.005","16.812","0.006","90","","91.49","0.04","90","","939.6","0.7","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 N S2 -","- C8 H13 N S2 -","- C32 H52 N4 S8 -","4","1","NA1157","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Five-, Six- and Seven-Membered-Ring Substituted Thiazolidine-2-thione","Acta Crystallographica Section C","1995","51","10","2113","2116","10.1107/S010827019500432X","","","0.71073","MoKα","","","0.036","","","0.0431","","","","","0.793","0.793","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004042","8.629","0.003","12.282","0.006","8.844","0.003","90","","98.02","0.04","90","","928.1","0.6","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 N S2 -","- C8 H13 N S2 -","- C32 H52 N4 S8 -","4","1","NA1157","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Five-, Six- and Seven-Membered-Ring Substituted Thiazolidine-2-thione","Acta Crystallographica Section C","1995","51","10","2113","2116","10.1107/S010827019500432X","","","0.71073","MoKα","","","0.047","","","0.052","","","","","1.406","1.406","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004043","13.544","0.003","6.8416","0.0008","14.2204","0.0006","90","","94.044","0.008","90","","1314.4","0.3","150","2","150","2","","","","","","","Chemical synthesis","5","P 1 21/a 1","-P 2yab","14","","trimethyl[(trimethylstannyl)methyl]ammoniumiodide","","- C7 H20 I N Sn -","- C7 H20 I N Sn -","- C28 H80 I4 N4 Sn4 -","4","1","NA1164","Cox, P. J.; Wardell, J. L.","Trimethyl[(trimethylstannyl)methyl]ammonium Iodide","Acta Crystallographica Section C","1995","51","10","2037","2039","10.1107/S0108270195004495","","","0.71069","MoKα","","0.0395","0.034","","0.096","0.086","","","","0.92","0.979","0.979","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004044","10.184","0.002","13.362","0.001","16.429","0.001","90","","90","","90","","2235.6","0.5","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O4 -","- C25 H34 O4 -","- C100 H136 O16 -","4","1","NA1165","Puliti, R.; De Rosa, S.; Mattia, C. A.","Studies on Avarol Derivatives. 2',5'-Diacetylavarol from <i>Dysidea Avara</i>","Acta Crystallographica Section C","1995","51","10","2163","2166","10.1107/S0108270195004720","","","1.54056","CuKα","","","0.047","","","0.055","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004045","32.885","0.003","8.983","0.002","19.043","0.002","90","","101.49","0.01","90","","5512.7","1.5","208","2","208","2","","","","","","","[TcNCl~2~(Me~2~PhP)~3~] + NaEt~2~dtp","7","C 1 2/c 1","-C 2yc","15","","Dichloro(O,O'-diethyldithiophosphato-S,S')- bis(dimethylphenylphosphine)technetium(III)","","- C20 H32 Cl2 O2 P3 S2 Tc -","- C20 H32 Cl2 O2 P3 S2 Tc -","- C160 H256 Cl16 O16 P24 S16 Tc8 -","8","1","NA1169","Abram, U.; Abram, S.; Dilworth, J. R.","<i>trans</i>-Dichloro(<i>O</i>,<i>O</i>'-diethyldithiophosphato-<i>S</i>,<i>S</i>')bis(dimethylphenylphosphine)technetium(III)","Acta Crystallographica Section C","1995","51","10","1983","1985","10.1107/S0108270195005063","","","0.7093","MoKα","","0.0377","0.0271","","0.0753","0.0689","","","","1.068","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004046","8.5973","0.0005","16.592","0.0008","30.202","0.002","90","","90","","90","","4308.2","0.4","293","","293","","","","","","","","Janssen Research Foundation, Beerse, Belgium","6","P 21 21 21","P 2ac 2ab","19","","(+)-(S)-4-[(2-Benzothiazolyl)methylamino]-α-[(3,4-difluorophenoxy)methyl]- piperidineethanol","","- C22 H25 F2 N3 O2 S -","- C25 H26.5 F3 N3 O2 S -","- C200 H212 F24 N24 O16 S8 -","8","2","NA1175","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","(+)-(<i>S</i>)-1-{4-[(2-Benzothiazolyl)(methyl)amino]piperidyl}-3-(3,4-difluorophenoxy)-2-propanol (Lubeluzole)","Acta Crystallographica Section C","1995","51","10","2129","2132","10.1107/S0108270195005439","","","1.54184","CuKα","","0.0591","0.0524","","0.1541","0.154","","","","1.039","1.038","1.038","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004047","7.653","0.004","15.98","0.01","17.57","0.01","90","","90","","90","","2149","2","293","","293","","","","","","","","Kali-Chemie, Pharma GmbH, Hannover, Germany","5","P b c 21","P 2c -2b","29","","1,8-Dimethyl-2-[(3-furancarbonyl)aminomethyl]-5-phenyl- 2,3-dihydro-1H-1,4-benzodiazepin-4-ium Chloride","","- C23 H24 Cl N3 O2 -","- C23 H24 Cl N3 O2 -","- C92 H96 Cl4 N12 O8 -","4","1","NA1182","Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.","1,8-Dimethyl-2-(3-furanoylaminomethyl)-5-phenyl-2,3-dihydro-1<i>H</i>-1,4-benzodiazepin-4-ium Chloride","Acta Crystallographica Section C","1995","51","10","2177","2179","10.1107/S0108270195006949","","","1.54184","CuKα","","0.0344","0.0334","","0.0885","0.0885","","","","1.068","1.068","1.068","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004048","11.631","0.003","11.066","0.001","10.563","0.002","90","","99.04","0.02","90","","1342.7","0.5","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Co N5 O7 -","- C8 H16 Co N5 O7 -","- C32 H64 Co4 N20 O28 -","4","1","NS1000","Egan, T. J.; Baldwin, D. A.; Denner, L.; Levendis, D. C.; Marques, H. M.","Guanidinium β-<i>cis</i>-(Carbonato-<i>O</i>,<i>O</i>')(<i>N</i>,<i>N</i>'-ethylenediaminediacetato-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'')cobaltate(III)","Acta Crystallographica Section C","1995","51","10","1994","1997","10.1107/S010827019500463X","","","0.71073","MoKα","","","0.0349","","","0.081","","","","","0.906","0.906","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004049","10.253","0.001","13.061","0.001","16.593","0.001","112.94","0.01","99.4","0.01","91.09","0.01","2010.5","0.3","200","2","200","2","","","","","","","ethanol","6","P -1","-P 1","2","","2,4,6-Tris(2-pyridyl)-1,3,5-triazyllithium tetraphenylborate bis(ethanol) solvate","","- C46 H44 B Li N6 O2 -","- C46 H44 B Li N6 O2 -","- C92 H88 B2 Li2 N12 O4 -","2","1","NS1001","Schödel, H.; Van, T. T. H.; Bock, H.","2,4,6-Tris(2-pyridyl)-1,3,5-triazine‒Lithium Tetraphenylborate Bis(ethanol) Solvate","Acta Crystallographica Section C","1995","51","10","2001","2004","10.1107/S0108270195004641","","","0.71073","MoKα","","0.0851","0.06","","0.181","0.1547","","","","1.021","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004050","16.636","0.003","16.733","0.003","17.19","0.003","90","","98.25","0.01","90","","4735.7","1.5","296","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H144 Ag2 I4 N4 O19 W6 -","- C64 Ag2 I4 N4 O19 W6 -","- C128 Ag4 I8 N8 O38 W12 -","2","0.5","OH1075","Hou, H.-W.; Ye, X.; Xin, X.; Wang, Z.; Liu, S.; Huang, J.","Tetrabutylammonium Di-μ-iodo-bis(iodoargentate) Hexatungstate, [^<i>n^</i>Bu~4~N]~4~[Ag~2~I~4~][W~6~O~19~]","Acta Crystallographica Section C","1995","51","10","2013","2015","10.1107/S0108270195005038","","","0.71073","MoKα","","","0.038","","","0.047","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004051","9.5394","0.0004","8.5756","0.0002","5.2508","0.0003","90","","110.124","0.002","90","","403.32","0.03","273","","","","","","","","","","Ohashi, Osawa & Sato (1989)","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga Li O6 Si2 -","- Ga Li O6 Si2 -","- Ga4 Li4 O24 Si8 -","4","1","","Sato, Akira; Osawa, Toshikazu; Ohashi, Haruo","Low-Temperature Form of LiGaSi~2~O~6~","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","10","1959","1960","10.1107/s0108270195004732","","","0.71073","MoKα","","","0.041","","","0.043","","","","","1.4","1.4","","","","","has coordinates","200796","2020-10-21","18:00:00",""
"2004052","9.845","0.002","11.513","0.004","3.775","0.001","90","","90","","90","","427.9","0.2","295","","","","","","","","","","see text","4","P b a m","-P 2 2ab","55","","","","- O8 S2 Sm2 Ta3 -","- O8 S2 Sm2 Ta4 -","- O16 S4 Sm4 Ta8 -","2","0.25","OH1081","Guo, G.; Wang, Y.; Chen, J.; Zhuang, H.; Huang, J.; Zhang, Q.","Samarium Tantalum Oxysulfide, Sm~2~Ta~3~S~2~O~8~","Acta Crystallographica Section C","1995","51","10","1964","1966","10.1107/S0108270195005026","","","0.71069","MoKα","","","0.058","","","0.076","","","","","1.33","1.33","","","","","has coordinates","208743","2020-10-21","18:00:00",""
"2004053","7.6178","0.0009","7.6178","0.0009","7.2537","0.0007","90","","90","","120","","364.54","0.07","297","","","","","","","","","","see text","4","R 3 2 :H","R 3 2""","155","","","","- Ba H3 I O6 -","- Ba H3 I O6 -","- Ba3 H9 I3 O18 -","3","0.166667","OH1082","Sasaki, M.; Yarita, T.; Sato, S.","Ba[H~3~IO~6~]","Acta Crystallographica Section C","1995","51","10","1968","1970","10.1107/S0108270195004744","","","0.71069","MoKα","","","0.011","","","0.014","","","","","1.29","1.29","","","","","has coordinates","211153","2020-10-21","18:00:00",""
"2004054","12.2439","0.0012","10.6348","0.0009","14.0329","0.0013","90","","117.964","0.006","90","","1613.9","0.3","293","2","293","2","","","","","","","Laboratory of Medicinal Chemistry, Li\`ege","5","C 1 2/c 1","-C 2yc","15","","3-methyl-4H-pyrido[2,3-e]-1,2,4-thiadiazine 1,1-dioxide","","- C7 H7 N3 O2 S -","- C7 H7 N3 O2 S -","- C56 H56 N24 O16 S8 -","8","1","PA1157","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3-Methyl-4<i>H</i>-pyrido[2,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1995","51","10","2064","2066","10.1107/S0108270194014447","","","1.5418","CuKα","","0.0324","0.0284","","0.0784","0.0769","","","","1.034","1.084","1.084","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004055","8.156","0.002","13.017","0.003","13.035","0.003","90","","89.81","0.02","90","","1383.9","0.6","293","","","","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O3 -","- C14 H14 N4 O3 -","- C56 H56 N16 O12 -","4","1","PA1163","Souron, J.-P.; Quarton, M.; Robert, F.; Lyubchova, A.; Cosse-Barbi, A.; Doucet, J. P.","Pyridoxal Isonicotinoyl Hydrazone (PIH), a Synthetic Ion-Chelating Agent","Acta Crystallographica Section C","1995","51","10","2179","2182","10.1107/S0108270195004586","","","0.71069","MoKα","","","0.0389","","","0.0383","","","","","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004056","8.448","0.002","9.383","0.003","21.14","0.007","90","","90","","90","","1675.7","0.9","293","","293","","","","","","","","chemical synthesis","6","P 21 21 21","P 2ac 2ab","19","","(1S,2R,3R,4S)-N-methyl-1,2-oxydo-3-methyl-4-phenyl-1,2,3,4- tetrahydroisoquinolinium","","- C17 H18 B F4 N O -","- C17 H18 B F4 N O -","- C68 H72 B4 F16 N4 O4 -","4","1","PA1171","Chiaroni, A.; Hanquet, G.; Lusinchi, M.; Riche, C.","First X-ray Determination of an Oxaziridinium Salt: (1<i>S</i>,2<i>R</i>,3<i>R</i>,4<i>S</i>)-2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydro-1,2-epoxyisoquinolinium Tetrafluoroborate and (1<i>S</i>,2<i>R</i>,3<i>R</i>,4<i>S</i>)-3-Methyl-4-phenyl-1,2,3,4-tetrahydro-2,3-epoxyisoquinoline","Acta Crystallographica Section C","1995","51","10","2047","2050","10.1107/S0108270195004604","","","1.5418","CuKα","","","0.097","","","0.083","","","","","1.05","1.05","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004057","9.13","0.007","15.082","0.012","9.506","0.007","90","","100.36","0.03","90","","1287.6","1.7","293","","293","","","","","","","","chemical synthesis","4","P 1 21 1","P 2yb","4","","(1S,2R,3R,4S)-1,2-oxydo-3-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","2","PA1171","Chiaroni, A.; Hanquet, G.; Lusinchi, M.; Riche, C.","First X-ray Determination of an Oxaziridinium Salt: (1<i>S</i>,2<i>R</i>,3<i>R</i>,4<i>S</i>)-2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydro-1,2-epoxyisoquinolinium Tetrafluoroborate and (1<i>S</i>,2<i>R</i>,3<i>R</i>,4<i>S</i>)-3-Methyl-4-phenyl-1,2,3,4-tetrahydro-2,3-epoxyisoquinoline","Acta Crystallographica Section C","1995","51","10","2047","2050","10.1107/S0108270195004604","","","1.5418","CuKα","","","0.045","","","0.06","","","","","0.81","0.81","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004058","8.517","0.006","15.512","0.009","25.925","0.014","90","","90","","90","","3425","4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","11-12 dihydro, 7-triethylsilyl, 10-deacetylbaccatin III.","","- C35 H52 O10 Si -","- C35 H52 O10 Si -","- C140 H208 O40 Si4 -","4","1","PA1173","Chiaroni, A.; Riche, C.; Marder, R.; Dubois, J.; Guénard, D.; Guéritte-Voegelein, F.","A 10-Deacetylbaccatin III Derivative: 11,12-Dihydro-7-triethylsilyl-10-deacetylbaccatin III","Acta Crystallographica Section C","1995","51","10","2050","2053","10.1107/S0108270195004616","","","1.5418","CuKα","","","0.041","","","0.056","","","","","0.96","0.96","","","","","has coordinates,has disorder","190593","2020-10-21","18:00:00",""
"2004059","12.801","0.001","7.819","0.001","15.169","0.002","90","","101.08","0.01","90","","1490","0.3","293","","","","","","","","","","see prep","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C60 H88 N8 O8 -","4","1","PA1179","Aubry, A.; Brembilla, A.; Faivre, V.; Lochon, P.","2-Hydroxymethyl-1-pentylbenzimidazole Hemi(1,4-dioxane) Solvate","Acta Crystallographica Section C","1995","51","10","2147","2148","10.1107/S0108270195006688","","","1.5418","CuKα","","","0.044","","","0.046","","","","","4.34","4.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004060","10.712","0.004","9.902","0.001","19.562","0.003","90","","101.25","0.02","90","","2035.1","0.9","290","","290","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C13 H12 O -","- C13 H11 O -","- C104 H88 O8 -","8","4","PA1180","Rajnikant; Watkin, D.; Tranter, G.","Biphenyl-2-methanol","Acta Crystallographica Section C","1995","51","10","2161","2163","10.1107/S0108270195005002","","","1.54184","CuKα","","","0.0706","","","0.0764","","","","","1.18","1.18","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004061","8.77","0.02","20.42","0.03","13.17","0.02","90","","90","","90","","2359","7","200","2","200","2","","","","","","","isolated from needles of Taxus chinensis; after CC-separation and purification recrystallisation from n-hexane/ EtOH.","3","P 21 21 21","P 2ac 2ab","19","","2α,5α,9α-Trihydroxy-10β,13α-diacetoxy-4b,20-epoxy-taxa-11-ene","","- C24 H36 O8 -","- C24 H36 O8 -","- C96 H144 O32 -","4","1","SE1076","Wiedenfeld, H.; Knoch, F.; Zhang, Z. P.","2α,5α,9α-Trihydroxy-10β,13α-diacetoxy-4β,20-epoxy-taxa-11-en, ein neues Taxan aus <i>Taxus chinensis</i>","Acta Crystallographica Section C","1995","51","10","2184","2186","10.1107/S010827019500429X","","","0.71073","MoKα","","0.0847","0.0393","","0.0957","0.0837","","","","0.708","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004062","9.759","0.001","27.561","0.001","8.941","0.001","90","","114.87","0.01","90","","2181.8","0.4","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 N O P S -","- C21 H30 N O P S -","- C84 H120 N4 O4 P4 S4 -","4","1","SH1109","Wieczorek, W.","[3,3-Dimethyl-1-(2-pyridylthio)butyl]methyl(2,4,6-trimethylphenyl)phosphine Oxide","Acta Crystallographica Section C","1995","51","10","2108","2110","10.1107/S0108270195004100","","","1.54184","CuKα","","","0.049","","","0.053","","","","","2.03","2.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004063","11.35","0.003","13.838","0.003","10.509","0.003","90","","100.15","0.02","90","","1624.7","0.7","296","","","","","","","","","","Recrystallization from ether/petroleum ether at 253 K","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br O2 -","- C20 H17 Br O2 -","- C80 H68 Br4 O8 -","4","1","SZ1004","Lloyd, B. A.; Arif, A. M.; Coots, R. J.; Allred, E. L.","A Structure with Through-Space Cyclopropyl π-Interaction","Acta Crystallographica Section C","1995","51","10","2059","2062","10.1107/S0108270195003477","","","0.71073","MoKα","","","0.0622","","","0.0625","","","","","2.3818","2.3818","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004064","9.3901","0.0015","18.497","0.003","4.2114","0.0005","90.65","0.01","102.86","0.01","73.09","0.01","681.17","0.18","294","","","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C40 H28 O4 -","2","1","SZ1006","Zacharias, D. E.; Glusker, J. P.; Harvey, R. G.","4,5-Dihydrobenzo[<i>a</i>]pyrene-4,5-<i>trans</i>-(<i>e</i>,<i>e</i>)-diol","Acta Crystallographica Section C","1995","51","10","2096","2098","10.1107/S0108270195003489","","","1.5418","CuKα","","","0.045","","","0.058","","","","","0.85","0.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004065","5.564","0.002","17.816","0.011","17.028","0.009","90","","92.1","0.04","90","","1686.8","1.5","288","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O10 -","- C15 H20 O10 -","- C60 H80 O40 -","4","1","SZ1017","Baughman, R. G.; Sands, R. D.","Methyl 1-Hydroxy-2,4,6-trimethoxycarbonyl-3-oxo-1-cyclohexaneacetate","Acta Crystallographica Section C","1995","51","10","2068","2071","10.1107/S0108270195003532","","","0.71073","MoKα","","","0.071","","","0.127","","","","","1.027","1.027","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004066","5.923","0.001","6.803","0.001","19.554","0.005","90","","90","0.03","90","","787.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-dicyclohexyl-dithiooxamide.","","- C14 H24 N2 S2 -","- C14 H24 N2 S2 -","- C28 H48 N4 S4 -","2","0.5","SZ1025","Perec, M.; Baggio, R.; Garland, M. T.","<i>N</i>,<i>N</i>'-Dicyclohexyldithiooxamide","Acta Crystallographica Section C","1995","51","10","2182","2184","10.1107/S0108270195006391","","","0.71073","MoKα","","0.0262","0.0254","","0.0747","0.0645","","","","0.267","0.234","0.234","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004067","5.394","0.002","11.725","0.002","20.062","0.005","90","","95.48","0.02","90","","1263","0.6","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dicyclohexylammonium chloride","","- C12 H24 Cl N -","- C12 H24 Cl N -","- C48 H96 Cl4 N4 -","4","1","TA1015","Ng, S. W.","Dicyclohexylammonium Chloride","Acta Crystallographica Section C","1995","51","10","2149","2150","10.1107/S0108270195003131","","","0.71073","MoKα","","0.0629","0.0398","","0.1027","0.0929","","","","1.039","1.107","1.107","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004068","10.664","0.002","9.829","0.004","20.058","0.002","90","","105.315","0.005","90","","2027.7","0.9","298","","298","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","bis(dicyclohexylammonium trithiocarbodiglycolate trithiocarbodiglycolic acid","","- C17 H29 N O4 S3 -","- C17 H29 N O4 S3 -","- C68 H116 N4 O16 S12 -","4","1","TA1016","Ng, S. W.","Bis(dicyclohexylammonium) Trithiocarbodiglycolate Trithiocarbodiglycolic Acid","Acta Crystallographica Section C","1995","51","10","2150","2152","10.1107/S010827019500312X","","","0.71073","MoKα","","0.0849","0.0435","","0.1186","0.0999","","","","0.992","1.067","1.067","","","","","has coordinates","196234","2020-10-21","18:00:00",""
"2004069","6.732","0.002","24.375","0.004","12.027","0.003","90","","115.1","0.02","90","","1787.2","0.8","293","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 O4 -","- C21 H22 O4 -","- C84 H88 O16 -","4","1","VJ1022","Magotra, D. K.; Gupta, V. K.; Rajnikant; Goswami, K. N.; Thappa, R. K.","Archangelin","Acta Crystallographica Section C","1995","51","10","2196","2198","10.1107/S0108270195005506","","","0.71073","MoKα","","","0.051","","","0.154","","","","","0.679","0.679","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004070","13.538","0.003","10.798","0.003","24.646","0.002","90","","91.4","0.03","90","","3601.8","1.3","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 Ca N10 O14 -","- C36 H20 Ca N10 O13.9 -","- C144 H80 Ca4 N40 O55.6 -","4","1","AB1176","Vijayvergiya, V.; Padmanabhan, B.; Singh, T. P.","<i>trans</i>-Bis(1,10-phenanthroline)-<i>trans</i>-bis(2,4,6-trinitrophenolato-<i>O</i>,<i>O</i>')calcium(II)","Acta Crystallographica Section C","1995","51","11","2235","2238","10.1107/S0108270195005233","","","1.54184","CuKα","","","0.061","","","0.061","","","","","1.59","1.59","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2004071","16.4845","0.0007","8.0579","0.0004","21.8436","0.0013","90","","98.812","0.005","90","","2867.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","endo-5-methyl-exo-6-phenylseleno-endo-tricyclo[5.2.1.0^2,6^]deca-8-en-3-one","","- C17 H18 O Se -","- C17 H18 O Se -","- C136 H144 O8 Se8 -","8","2","AB1222","Moers, F. G.; Smits, J. M. M.; Beurskens, P. T.; Zhu, J.; Klunder, A. J. H.","<i>endo</i>-5-Methyl-<i>exo</i>-6-phenylseleno-<i>endo</i>-tricyclo[5.2.1.0^2,6^]dec-8-en-3-one","Acta Crystallographica Section C","1995","51","11","2335","2338","10.1107/S0108270195006251","","","0.71073","MoKα","","0.1784","0.0584","","0.0928","0.0685","","","","1.101","1.293","1.293","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004072","15.011","0.008","8.862","0.004","9.068","0.004","90","","107.5","0.02","90","","1150.5","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","diglycyl-glycine methyl ester hydrochloride","","","- C7 H14 Cl N3 O4 -","- C7 H14 Cl N3 O4 -","- C28 H56 Cl4 N12 O16 -","4","1","AB1258","Handelsman-Benory, E.; Botoshansky, M.; Kaftory, M.","Hydrogen Bonding in Glycyl-glycyl-glycine Methyl Ester Hydrochloride","Acta Crystallographica Section C","1995","51","11","2362","2364","10.1107/S0108270195005646","","","0.71069","MoKα","","0.0646","0.0484","","0.1541","0.1394","","","","1.045","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004073","10.857","0.003","11.445","0.002","13.916","0.003","87.51","0.02","80.91","0.02","73.42","0.03","1636.5","0.7","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 Cl N O3 P -","- C16 H19 Cl N O3 P -","- C64 H76 Cl4 N4 O12 P4 -","4","2","AB1259","Liu, X.-L.; Zhou, Y.; Li, W.-Z.; Fan, Z.; Miao, F.-M.; Mao, L.-J.; Chen, R.-Y.","Dimethyl [α-(Benzylamino)-<i>p</i>-chlorobenzyl]phosphonate","Acta Crystallographica Section C","1995","51","11","2350","2352","10.1107/S0108270195005245","","","0.71073","MoKα","","","0.055","","","0.056","","","","","1.51","1.51","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004074","8.142","0.009","17.617","0.008","10.479","0.004","90","","107.23","0.07","90","","1435.6","1.9","296","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N4 Ni O4 P2 S4 -","- C18 H32 N4 Ni O4 P2 S4 -","- C36 H64 N8 Ni2 O8 P4 S8 -","2","0.5","AB1261","Huang, X.-Y.; Xiong, R.-G.; You, X.-Z.","The Adduct of Bis(<i>O</i>,<i>O</i>'-diethyl dithiophosphato)nickel(II) with 3-Aminopyridine","Acta Crystallographica Section C","1995","51","11","2261","2263","10.1107/S0108270195004999","","","0.71073","MoKα","","","0.04","","","0.051","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004075","9.131","0.002","6.775","0.001","7.769","0.002","90","","116.22","0.02","90","","431.1","0.2","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- F11 Mn Na Zr2 -","- F11 Mn Na Zr2 -","- F22 Mn2 Na2 Zr4 -","2","0.25","","Kettani, M. H.; Avignant, D.; Metin, J.","NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","11","2207","2210","10.1107/s0108270195006081","","","","","","","","","","","","","","","","","","","","","has coordinates","200796","2020-10-21","18:00:00",""
"2004076","9.069","0.003","6.736","0.001","7.757","0.001","90","","116.22","0.01","90","","425.1","0.2","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- F11 Fe Na Zr2 -","- F11 Fe Na Zr2 -","- F22 Fe2 Na2 Zr4 -","2","0.25","","Kettani, M. H.; Avignant, D.; Metin, J.","NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","11","2207","2210","10.1107/s0108270195006081","","","","","","","","","","","","","","","","","","","","","has coordinates","200796","2020-10-21","18:00:00",""
"2004077","9.037","0.001","6.7","0.001","7.725","0.002","90","","116.26","0.01","90","","419.5","0.1","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Co F11 Na Zr2 -","- Co F11 Na Zr2 -","- Co2 F22 Na2 Zr4 -","2","0.25","","Kettani, M. H.; Avignant, D.; Metin, J.","NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","11","2207","2210","10.1107/s0108270195006081","","","","","","","","","","","","","","","","","","","","","has coordinates","200796","2020-10-21","18:00:00",""
"2004078","9.002","0.002","6.675","0.001","7.709","0.001","90","","116.24","0.02","90","","415.5","0.2","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- F11 Na Ni Zr2 -","- F11 Na Ni Zr2 -","- F22 Na2 Ni2 Zr4 -","2","0.25","","Kettani, M. H.; Avignant, D.; Metin, J.","NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","11","2207","2210","10.1107/s0108270195006081","","","","","","","","","","","","","","","","","","","","","has coordinates","200796","2020-10-21","18:00:00",""
"2004079","9.025","0.003","6.695","0.001","7.721","0.001","90","","116.18","0.01","90","","418.66","0.17","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- F11 Na Zn Zr2 -","- F11 Na Zn Zr2 -","- F22 Na2 Zn2 Zr4 -","2","0.25","AB1265","Kettani, M. H.; Avignant, D.; Metin, J.","Na<i>M</i>^II^Zr~2~F~11~ (<i>M</i>^II^ = Mn, Fe, Co, Ni, Zn) Fluorides","Acta Crystallographica Section C","1995","51","11","2207","2210","10.1107/S0108270195006081","","","0.71073","MoKα","","","0.028","","","0.035","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004080","12.38","0.002","11.194","0.002","26.892","0.005","90","","90","","90","","3726.7","1.1","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","1,2;3,4-Bis(8',11'-dioxa[4.3.3]propella(3',4'))benzene","1H,3H,4H,7H,8H,10H,11H,12H-3a,12a:7a,10a-Bis(methanoxymethano)phenanthro [2,3-c:6,7-c']difuran","","- C22 H26 O4 -","- C22 H26 O4 -","- C176 H208 O32 -","8","2","AB1266","Stadnicka, K.; Zeslawski, W.","1,2;3,4-Bis{8',11'-dioxa[4.3.3]propella(3',4')}benzene: a Bis(propellene) from Prehnitene","Acta Crystallographica Section C","1995","51","11","2377","2381","10.1107/S0108270195007402","","","0.7093","MoKα~1~","","0.0593","0.0317","","0.0809","0.0709","","","","1.066","1.146","1.146","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004081","12.666","0.001","8.552","0.002","8.034","0.002","90","","95.49","0.01","90","","866.2","0.3","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-dimethylanilinium chloride","2,6-dimethylphenylammonium chloride","","- C8 H12 Cl N -","- C8 H12 Cl N -","- C32 H48 Cl4 N4 -","4","1","AB1275","Linden, A.; James, B. D.; Liesegang, J.","2,6-Dimethylphenylammonium Chloride at 173 and 293 K","Acta Crystallographica Section C","1995","51","11","2317","2320","10.1107/S0108270195007918","","","0.71069","MoKα","","0.0509","0.0342","","0.0438","0.0413","","","","","1.669","1.669","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004082","12.766","0.002","8.566","0.001","8.136","0.001","90","","94.84","0.01","90","","886.5","0.2","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-dimethylanilinium chloride","2,6-dimethylphenylammonium chloride","","- C8 H12 Cl N -","- C8 H12 Cl N -","- C32 H48 Cl4 N4 -","4","1","AB1275","Linden, A.; James, B. D.; Liesegang, J.","2,6-Dimethylphenylammonium Chloride at 173 and 293 K","Acta Crystallographica Section C","1995","51","11","2317","2320","10.1107/S0108270195007918","","","0.71069","MoKα","","0.1203","0.0465","","0.045","0.039","","","","","1.801","1.801","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004083","9.502","0.003","9.98","0.004","10.68","0.004","90","","90","","90","","1012.8","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O -","- C11 H15 N O -","- C44 H60 N4 O4 -","4","1","AB1286","Hibbs, D. E.; Hursthouse, M. B.; Malik, K. M. A.","({-})-(1<i>S</i>,3<i>R</i>,4<i>R</i>,6<i>S</i>)-4,7,7-Trimethyl-5-oxobicyclo[4.1.0]heptane-3-carbonitrile","Acta Crystallographica Section C","1995","51","11","2315","2317","10.1107/S0108270195008316","","","0.71069","MoKα","","0.039","0.0365","","0.0881","0.0876","","","","1.096","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004084","11.529","0.004","17.725","0.005","7.172","0.005","90","","90","","90","","1465.6","1.2","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","methyl 2,2^1^-anhydro-4,6-O-benzylidene-3-deoxy-3-C-[(R)-2-hydroxyethyl]- α-D-allopyranoside","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","AB1289","Linden, A.; Lee, C. K.","Methyl 2,2^1^-Anhydro-4,6-<i>O</i>-benzylidene-3-deoxy-3-<i>C</i>-[(<i>R</i>)-2-hydroxyethyl]-α-<small>D</small>-<i>allo</i>-pyranoside at 173 K","Acta Crystallographica Section C","1995","51","11","2320","2322","10.1107/S0108270195008997","","","0.71069","MoKα","","0.0777","0.0453","","0.0432","0.0399","","","","","1.598","1.598","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004085","9.005","0.001","9.416","0.001","9.269","0.001","90","","90.58","0.01","90","","785.89","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-diethyl thiourea","","- C5 H12 N2 S -","- C5 H12 N2 S -","- C20 H48 N8 S4 -","4","1","AS1179","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","Symmetrically Substituted Thiourea Derivatives","Acta Crystallographica Section C","1995","51","11","2446","2450","10.1107/S010827019500607X","","","0.71073","MoKα","","0.1003","0.0723","","0.2364","0.2153","","","","1.021","1.199","1.199","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004086","10.463","0.002","9.276","0.002","10.596","0.003","90","","107.83","0.02","90","","979","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-diisopropyl thiourea","","- C7 H16 N2 S -","- C7 H16 N2 S -","- C28 H64 N8 S4 -","4","1","AS1179","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","Symmetrically Substituted Thiourea Derivatives","Acta Crystallographica Section C","1995","51","11","2446","2450","10.1107/S010827019500607X","","","0.71073","MoKα","","0.0477","0.0395","","0.1153","0.1116","","","","1.058","1.131","1.131","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004087","7.951","0.002","25.576","0.009","5.689","0.002","90","","90","","90","","1156.9","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3-diphenyl thiourea","","- C13 H12 N2 S -","- C13 H12 N2 S -","- C52 H48 N8 S4 -","4","0.5","AS1179","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","Symmetrically Substituted Thiourea Derivatives","Acta Crystallographica Section C","1995","51","11","2446","2450","10.1107/S010827019500607X","","","0.71073","MoKα","","0.1221","0.0676","","0.2088","0.1775","","","","0.933","1.108","1.108","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004088","7.949","0.001","9.071","0.002","14.032","0.004","77.58","0.02","77.73","0.02","64.18","0.01","881.3","0.4","298","3","","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H24 Cl2 Cu N4 O8 -","- C9 H24 Cl2 Cu N4 O8 -","- C18 H48 Cl4 Cu2 N8 O16 -","2","1","AS1183","Lu, T.-H.; Liu, Y.-L.; Chung, C.-S.","Diperchlorato[(2<i>RS</i>,5<i>SR</i>,9<i>RS</i>,12<i>RS</i>)-2,5,9,12-tetraazatridecane]copper(II)","Acta Crystallographica Section C","1995","51","11","2275","2277","10.1107/S0108270195006226","","","0.71073","MoKα","","","0.034","","","0.036","","","","","0.98","0.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004089","7.693","0.002","9.178","0.001","22.982","0.004","90","","116.59","0.02","90","","1451","0.5","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","theophilline p-nitroaniline complex","","","- C13 H14 N6 O4 -","- C13 H14 N6 O4 -","- C52 H56 N24 O16 -","4","1","AS1190","Zaitu, S.; Miwa, Y.; Taga, T.","1:1 Molecular Complex of Theophylline and <i>p</i>-Nitroaniline","Acta Crystallographica Section C","1995","51","11","2390","2392","10.1107/S010827019500864X","","","1.54178","CuKα","","","0.07","","","0.075","","","","","0.8","0.8","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2004090","11.518","0.001","11.518","0.001","19.966","0.004","90","","90","","120","","2293.9","0.5","294","","21","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H36 Fe N3 O15 S6 -","- C12 H36 Fe N3 O18 S6 -","- C36 H108 Fe3 N9 O54 S18 -","3","0.166667","BK1054","Tzou, J.-R.; Mullaney, M.; Norman, R. E.; Chang, S.-C.","Hexakis(dimethyl sulfoxide-<i>O</i>)iron(III) Trinitrate","Acta Crystallographica Section C","1995","51","11","2249","2252","10.1107/S0108270195005695","","","0.7107","MoKα","","","0.0435","","","0.054","","","","","5.165","5.165","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004091","7.467","0.002","8.161","0.003","10.717","0.002","80.81","0.02","73.64","0.02","71.71","0.02","593.1","0.3","297","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H14 N4 O6 Zn -","- C6 H14 N4 O6 Zn -","- C12 H28 N8 O12 Zn2 -","2","1","BK1082","Yar, O.; Lessinger, L.","Bis(acetato-<i>O</i>)bis(urea-<i>O</i>)zinc(II), [Zn(H~2~NCONH~2~)~2~(CH~3~COO)~2~]","Acta Crystallographica Section C","1995","51","11","2282","2285","10.1107/S0108270195006974","","","0.71069","MoKα","","0.0423","0.0319","","","0.0806","","","","","1.052","1.052","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004092","11.416","0.001","11.749","0.001","14.501","0.001","105.08","0.01","109.83","0.01","95.33","0.01","1731.1","0.3","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H60 Au2 N6 P4 S4 -","- C76 H60 Au2 N6 P4 S4 -","- C76 H60 Au2 N6 P4 S4 -","1","0.5","BK1099","Assefa, Z.; Staples, R. J.; Fackler, Jnr, J. P.","Bis[bis(triphenylphosphoranylidene)ammonium] Bis[cyanodithiocarbimatogold(I)], [PPN]~2~[Au~2~(S~2~CNCN)~2~]","Acta Crystallographica Section C","1995","51","11","2271","2273","10.1107/S0108270195004628","","","0.71073","MoKα","","","0.029","","","0.038","","","","","1.014","1.014","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004093","7.643","0.001","11.578","0.002","13.117","0.002","69.69","0.05","80.57","0.06","86.87","0.05","1073.9","0.5","297","","297","","","","","","","","","5","P -1","-P 1","2","","1-Amino-2-nitro-4,5-bis(p-toluenesulfonamido)-benzene","","- C20 H20 N4 O6 S2 -","- C20 H20 N4 O6 S2 -","- C40 H40 N8 O12 S4 -","2","1","BK1112","Bolger, J.; Gourdon, A.","1-Amino-2-nitro-4,5-bis(<i>p</i>-toluenesulfonamido)benzene","Acta Crystallographica Section C","1995","51","11","2395","2397","10.1107/S0108270195006950","","","0.71069","MoKα","","","0.034","","","0.034","","","","","2.13","2.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004094","5.682","0.002","7.186","0.006","17.775","0.002","90","","92.75","0.02","90","","724.9","0.7","294.2","","294.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H28 Cl N -","- C12 H28 Cl N -","- C24 H56 Cl2 N2 -","2","1","BK1118","Silver, J.; Marsh, P. J.; Frampton, C. S.","<i>n</i>-Dodecylammonium Chloride","Acta Crystallographica Section C","1995","51","11","2432","2434","10.1107/S0108270195006858","","","0.7107","MoKα","","","0.035","","","0.0307","","","","","1.928","1.928","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004095","8.6495","0.0014","9.857","0.002","12.375","0.003","102.11","0.02","89.77","0.02","104.65","0.02","996.7","0.4","293","","293","","","","","","","","","4","P -1","-P 1","2","","4-methyl-1,2,3,5-diselenadiazolyl","","- C4 H6 N4 Se4 -","- C4 H6 N4 Se4 -","- C16 H24 N16 Se16 -","4","2","BK1120","Bryan, C. D.; Cordes, A. W.; Oakley, R. T.; von Spence, R. E.","4,4'-Dimethyl-1,1'-bi(1,2,3,5-diselenadiazole)","Acta Crystallographica Section C","1995","51","11","2402","2404","10.1107/S0108270195006147","","","0.71073","MoKα","","0.133","0.047","","0.081","0.064","","","","","0.98","0.98","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004096","8.2444","0.0015","10.7401","0.0013","20.049","0.003","90","","95.057","0.014","90","","1768.3","0.5","294","1","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","","3,3,7,7,10,10-Hexaphenyl-2,4,6,8,9,11-hexaoxa-1,5-diarsa-3,7,10-trisila- bicyclo[3,3,3]undecane","","- C36 H30 As2 O6 Si3 -","- C36 H30 As2 O6 Si3 -","- C72 H60 As4 O12 Si6 -","2","1","BK1128","Ferguson, G.; O'Leary, B.; Spalding, T. R.","An As~2~Si~3~O~6~ Cage Compound, 3,3,7,7,10,10-Hexaphenyl-2,4,6,8,9,11-hexaoxa-1,5-diarsa-3,7,10-trisilabicyclo[3.3.3]undecane","Acta Crystallographica Section C","1995","51","11","2312","2315","10.1107/S0108270195006159","","","0.7107","MolybdenumKα","","0.043","0.029","","0.04","0.038","","","","","1.06","1.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004097","15.163","0.003","28.912","0.008","16.286","0.006","90","","91.02","0.02","90","","7139","4","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H84 Fe2 N12 O9 -","- C72 H84 Fe2 N12 O9 -","- C288 H336 Fe8 N48 O36 -","4","1","BK1130","Schaefer, W. P.; Ellis, P. E.; Lyons, J. E.; Shaikh, S. N.","A μ-Oxo-bis[iron(III) porphyrin] Complex","Acta Crystallographica Section C","1995","51","11","2252","2255","10.1107/S0108270195005701","","","0.71073","MoKα","","","","","","0.013","","","","","1.4","1.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004098","8.388","0.002","10.527","0.002","19.73","0.004","90","","90","","90","","1742.2","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Benzyl-1-deoxy-1-(hydroxyamino)-2,3-O-diisopropylidene-1- (N-methylimidazol-2-yl)-D-threo-triitol.","","- C17 H23 N3 O3 -","- C17 H23 N3 O3 -","- C68 H92 N12 O12 -","4","1","BK1141","Merino, P.; Merchan, F. L.; Tejero, T.","Chiral Hydroxylamines. I. 1-(<i>N</i>-Benzyl-<i>N</i>-hydroxyamino)-1-deoxy-2,3-<i>O</i>-isopropylidene-1-(1-methylimidazol-2-yl)-<small>D</small>-<i>threo</i>-triitol","Acta Crystallographica Section C","1995","51","11","2400","2401","10.1107/S0108270195006962","","","0.71073","MoKα","","0.0854","0.0467","","0.1251","0.1027","","","","1.029","1.063","1.063","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004099","11.5304","0.0006","12.2492","0.0005","10.2645","0.0006","90","","91.89","0.01","90","","1448.95","0.13","296","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis-(5-chloro-2-nitrophenyl)-disulphide","","- C12 H6 Cl2 N2 O4 S2 -","- C12 H6 Cl2 N2 O4 S2 -","- C48 H24 Cl8 N8 O16 S8 -","4","0.5","BK1145","Garcia, J. G.; Haydar, S. N.; Krapcho, A. P.; Fronczek, F. R.","Bis(5-chloro-2-nitrophenyl) Disulfide","Acta Crystallographica Section C","1995","51","11","2333","2335","10.1107/S0108270195008055","","","0.71073","MoKα","","","0.033","","","0.044","","","","","2.173","2.173","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2004100","6.658","0.001","11.528","0.002","5.695","0.002","101.47","0.03","95.59","0.02","92.24","0.02","425.58","0.19","295","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 As N O6 -","- C6 H3 As N O6 -","- C12 H6 As2 N2 O12 -","2","1","BM1011","Nuttall, R. H.; Hunter, W. N.","Redetermination of 4-Hydroxy-3-nitrobenzenearsonic Acid","Acta Crystallographica Section C","1995","51","11","2342","2344","10.1107/S0108270195007542","","","1.54184","CuKα","","","0.058","","","0.082","","","","","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004101","8.568","0.009","9.333","0.004","11.972","0.013","75.52","0.08","69.61","0.07","80.45","0.07","865.6","1.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-acetato-κO:κO')-bis(1,5,9-triazacyclododecane-2,4-dione-N^9^)- dicopper(II)","","- C26 H46 Cu2 N6 O12 -","- C26 H46 Cu2 N6 O12 -","- C26 H46 Cu2 N6 O12 -","1","0.5","BM1015","Clarke, A. J.; Carmichael, A. J.; Errington, W.; Moore, P.","Tetrakis(μ-acetato-<i>O</i>:<i>O</i>')bis(1,5,9-triazacyclododecane-2,4-dione-<i>N</i>^9^)dicopper(II)(<i>Cu</i>—<i>Cu</i>)","Acta Crystallographica Section C","1995","51","11","2279","2282","10.1107/S0108270195006512","","","0.71073","MoKα","","0.0524","0.0358","","0.1257","0.0863","","","","1.201","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004102","7.019","0.001","7.019","0.001","12.925","0.002","90","","90","","120","","551.46","0.14","296","","296","","","","","","","","","5","P 32 2 1","P 32 2""","154","sodium cerium sulfate monohydrate","","","- Ce H2 Na O9 S2 -","- Ce H2 Na O10 S2 -","- Ce3 H6 Na3 O30 S6 -","3","0.5","BR1102","Blackburn, A. C.; Gerkin, R. E.","Redetermination of Sodium Cerium(III) Sulfate Monohydrate, NaCe(SO~4~)~2~.H~2~O","Acta Crystallographica Section C","1995","51","11","2215","2218","10.1107/S0108270195006135","","","0.71073","MoKα","","","0.017","","","0.03","","","","","1.72","1.72","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004103","11.991","0.005","20.666","0.002","24.082","0.004","67.616","0.01","77.54","0.02","87.58","0.02","5383","3","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","fac-Tricarbonyl-tris(triphenyl phospite)molybdenum","","- C57 H45 Mo O12 P3 -","- C57 H45 Mo O12 P3 -","- C228 H180 Mo4 O48 P12 -","4","2","CF1001","Alyea, E. C.; Ferguson, G.; Song, S.-Q.","<i>fac</i>-Tricarbonyltris(triphenyl phosphite)molybdenum(0)","Acta Crystallographica Section C","1995","51","11","2238","2242","10.1107/S0108270195006603","","","0.7107","MolybdenumKα","","0.2479","0.0908","","0.22","0.1694","","","","0.808","1.154","1.154","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004104","4.5232","0.0008","10.5764","0.001","14.8003","0.0014","90","","90","","90","","708.03","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Bromo-3-deoxy-D-erythro-hex-2-enono-1,5-lactone and 2-Chloro-3-deoxy-D-erythro-hex-2-enono-1,5-lactone","","- C6 H7 Br0.34 Cl0.66 O3 -","- C6 H7 Br0.339 Cl0.661 O3 -","- C24 H28 Br1.356 Cl2.644 O12 -","4","1","CF1006","Fun, H.-K.; Sivakumar, K.; Ang, H.-B.; Sam, T.-W.; Gan, E.-K.","A 2:1 Solid Solution of 6-Chloro-2,3,6-trideoxy-<small>D</small>-<i>erythro</i>-hex-2-enono-1,5-lactone and its 6-Bromo Analogue","Acta Crystallographica Section C","1995","51","11","2450","2453","10.1107/S0108270195006615","","","0.71073","MoKα","","0.0508","0.0347","","0.0864","0.0821","","","","0.938","1.046","1.046","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004105","22.031","0.018","14.474","0.018","6.002","0.005","90","","90.42","0.1","90","","1914","3","220","2","220","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3-[3'-(4-bromophenyl)-1'-phenylpyrazol-5'-yl] 2H-1-benzopyran-2-one","","- C24 H15 Br N2 O2 -","- C24 H15 Br N2 O2 -","- C96 H60 Br4 N8 O8 -","4","1","CF1011","Singh, S. K.; Kumar, N.; Malhotra, S.; Bisht, K. S.; Parmar, V. S.; Errington, W.","3-[3-(4-Bromophenyl)-1-phenylpyrazol-5-yl]-2<i>H</i>-1-benzopyran-2-one","Acta Crystallographica Section C","1995","51","11","2406","2407","10.1107/S0108270195007438","","","0.71073","MoKα","","0.0832","0.0832","","0.1623","0.1623","","","","1.062","1.062","1.062","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004106","30.061","0.014","7.218","0.004","14.283","0.008","90","","103.26","0.04","90","","3017","3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-phenyl-3-(4-methylphenyl)-5-cyanomethylpyrazole","","- C18 H15 N3 -","- C18 H15 N3 -","- C144 H120 N24 -","8","2","CF1012","Singh, S. K.; Kumar, A.; Vats, A.; Bisht, K. S.; Parmar, V. S.; Errington, W.","5-Cyanomethyl-3-(4-methylphenyl)-1-phenylpyrazole","Acta Crystallographica Section C","1995","51","11","2404","2406","10.1107/S0108270195007773","","","0.71073","MoKα","","0.1053","0.1053","","0.194","0.194","","","","1.035","1.035","1.035","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004107","25.585","0.0014","11.841","0.002","8.012","0.003","90","","104.03","0.02","90","","2354.8","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","9-(carboxymethyl)-2,6-dichloropurine ethyl ester","","- C9 H8 Cl2 N4 O2 -","- C9 H8 Cl2 N4 O2 -","- C72 H64 Cl16 N32 O16 -","8","1","CF1024","Chan, D. M. C.; Schwalbe, C. H.; Sood, G.; Fraser, W.","9-(Carboxymethyl)-2,6-dichloropurine Ethyl Ester. An Intermediate for Peptidic Nucleic Acid Synthesis","Acta Crystallographica Section C","1995","51","11","2383","2386","10.1107/S0108270195008705","","","0.71069","MoKα","","0.0682","0.0353","","0.1064","0.0906","","","","1.015","1.048","1.048","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004108","17.411","0.002","15.756","0.002","10.593","0.001","90","","107.19","0.01","90","","2776.1","0.6","300","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 Co P -","- C35 H32 Co P -","- C140 H128 Co4 P4 -","4","1","CR1111","Fujita, T.; Uekusa, H.; Ohkubo, A.; Shimura, T.; Aramaki, K.; Nishihara, H.; Ohba, S.","Two Cobaltacyclopentadiene Complexes and One Cyclobutadiene Complex","Acta Crystallographica Section C","1995","51","11","2265","2269","10.1107/S0108270195005993","","","0.71073","MoKα","","","0.036","","","0.041","","","","","1.56","1.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004109","15.31","0.002","22.997","0.003","11.928","0.001","90","","103.35","0.01","90","","4086.2","0.8","297","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H40 Co P -","- C55 H40 Co P -","- C220 H160 Co4 P4 -","4","1","CR1111","Fujita, T.; Uekusa, H.; Ohkubo, A.; Shimura, T.; Aramaki, K.; Nishihara, H.; Ohba, S.","Two Cobaltacyclopentadiene Complexes and One Cyclobutadiene Complex","Acta Crystallographica Section C","1995","51","11","2265","2269","10.1107/S0108270195005993","","","0.71073","MoKα","","","0.065","","","0.059","","","","","1.82","1.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004110","16.459","0.004","28.668","0.004","10.269","0.003","90","","100.54","0.02","90","","4764","2","300","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H57 Co Si4 -","- C49 H57 Co Si4 -","- C196 H228 Co4 Si16 -","4","1","CR1111","Fujita, T.; Uekusa, H.; Ohkubo, A.; Shimura, T.; Aramaki, K.; Nishihara, H.; Ohba, S.","Two Cobaltacyclopentadiene Complexes and One Cyclobutadiene Complex","Acta Crystallographica Section C","1995","51","11","2265","2269","10.1107/S0108270195005993","","","0.71073","MoKα","","","0.06","","","0.083","","","","","2.64","2.64","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004111","6.86","0.008","18.938","0.002","16.224","0.004","90","","92.78","0.07","90","","2105","3","296","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H50 N2 Ni O4 P2 S4 -","- C36 H52 N2 Ni O4 P2 S4 -","- C72 H104 N4 Ni2 O8 P4 S8 -","2","0.5","CR1171","Xiong, R.-G.; You, X.-Z.; Huang, X.-Y.","The Adduct of Bis(<i>O</i>,<i>O</i>'-dibutyl dithiophosphato)nickel(II) with Isoquinoline","Acta Crystallographica Section C","1995","51","11","2263","2265","10.1107/S0108270195006019","","","0.71069","MoKα","","","0.049","","","0.058","","","","","1.27","1.27","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004112","13.758","0.005","5.391","0.001","16.844","0.004","90","","93","0.03","90","","1247.6","0.6","296","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","CR1180","Schaefer, W. P.; Abulū, J.","An Indanyl Precursor to a Chiral Spiro Compound","Acta Crystallographica Section C","1995","51","11","2364","2366","10.1107/S0108270195005609","","","0.71073","MoKα","","","","","","","","","","","2.95","2.95","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004113","10.989","0.004","20.086","0.003","11.058","0.003","90","","110.5","0.3","90","","2286","5","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O5 S -","- C25 H23 N O5 S -","- C100 H92 N4 O20 S4 -","4","1","CR1183","Krishnaiah, M.; Jagadeesh Kumar, N.; Bhaskar Reddy, D.; Muralidhar Reddy, M.; Soriano, M.; Chen, Y.-S.; Narasinga Rao, S.","Methyl 6-Benzoyl-3,5-diphenyl-1,4-thiomorpholine-2-carboxylate 1,1-Dioxide","Acta Crystallographica Section C","1995","51","11","2426","2428","10.1107/S010827019500583X","","","0.71073","MoKα","","","0.056","","","0.073","","","","","1.46","1.46","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004114","13.049","0.001","10.411","0.001","12.317","0.003","90","","105.5","0.1","90","","1612.4","0.9","293","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H24 O5 -","- C16 H24 O5 -","- C64 H96 O20 -","4","1","CR1184","Selladurai, S.; Subramanian, K.; Lakshmi, S.; Rajagopalan, K.; Chen, Y. S.; Yang, J.; Narasinga Rao, S.","5,5-Dimethyl-1,3-dioxacyclohexane-2-spiro(2',γ-dimethyl-3'-oxo-2'-cyclohexaneacrylic Acid)","Acta Crystallographica Section C","1995","51","11","2424","2426","10.1107/S0108270195005555","","","0.71073","MoKα","","","0.05","","","0.062","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004115","17.5076","0.0001","6.6859","0.0001","13.0147","0.0001","90","","94.48","0.01","90","","1518.77","0.03","23","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Cl O4 S -","- C17 H11 Cl O4 S -","- C68 H44 Cl4 O16 S4 -","4","1","CR1186","Krishnaiah, M.; Narayana Raju, K. V.; Lu, I-L.; Chen, Y.-S.; Narasinga Rao, S.","3-[2-(4-Chlorophenylsulfonyl)ethenyl]-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section C","1995","51","11","2429","2430","10.1107/S0108270195006597","","","0.71073","MoKα","","","0.033","","","0.05","","","","","1.48","1.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004116","7.6922","0.0005","14.1688","0.0008","19.3663","0.0011","90","","90","","90","","2110.7","0.2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9α-fluoro-11β-hydroxy-16α-methylandrosta-1,4-diene-3,17-dione 2-butynoate","","- C24 H27 F O4 -","- C24 H27 F O4 -","- C96 H108 F4 O16 -","4","1","CR1188","Brock, C. P.; Song, J.","9α-Fluoro-16α-methyl-3,17-dioxoandrosta-1,4-dien-11β-yl 2-Butynoate","Acta Crystallographica Section C","1995","51","11","2437","2439","10.1107/S0108270195006020","","","0.71073","MoKα","","0.0908","0.0387","","0.1065","0.0897","","","","1","1.108","1.108","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004117","10.3828","0.0007","12.2813","0.0007","10.931","0.0009","90","","91.207","0.006","90","","1393.55","0.17","295","1","295","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-phenyl-2,4,6-triazatricyclo[5.4.2.0^2,6^]tridec-12-ene-3,5-dione","","- C16 H17 N3 O2 -","- C16 H17 N3 O2 -","- C64 H68 N12 O8 -","4","1","CR1189","Brock, C. P.; Demir, A. S.; Watt, D. S.","An Almost Planar Hydrazine Moiety in a Diels‒Alder Adduct","Acta Crystallographica Section C","1995","51","11","2434","2437","10.1107/S010827019500624X","","","0.71073","MoKα","","0.1125","0.0415","","0.1181","0.095","","","","1.016","1.113","1.113","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004118","10.125","0.001","12.764","0.002","11.338","0.002","90","","90.39","0.01","90","","1465.2","0.4","158","2","158","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Dimethyl-9-oxabicyclo[5.3.0]dec-5-en-1,3-diol Deuterochloroform solvate","","- C12 H18 Cl3 D O3 -","- C12 H19 Cl3 O3 -","- C48 H76 Cl12 O12 -","4","1","CR1194","Kumanovic, S.; Lautens, M.; Lough, A. J.","A Highly Substituted <i>trans</i>-Fused Bicyclo[5.3.0]decene","Acta Crystallographica Section C","1995","51","11","2370","2372","10.1107/S0108270195006573","","","0.71073","MoKα","","0.0637","0.0431","","0.1183","0.1051","","","","1.019","1.054","1.054","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004119","11.483","0.002","11.615","0.001","12.412","0.002","90","","111.44","0.01","90","","1540.9","0.4","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C64 H96 O12 -","4","1","DE1006","Lakshmi, S.; Subramanian, K.; Rajagopalan, K.; Koellner, G.; Steiner, Th.","1β-Hydroxy-1α-propargyl-2β-methyl-2-(2-ethoxycarbonylvinyl)cycloheptane","Acta Crystallographica Section C","1995","51","11","2327","2329","10.1107/S0108270195005208","","","1.542","CuKα","","","0.072","","","0.072","","","","","0.99","0.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004121","13.877","0.006","10.446","0.004","8.109","0.003","79.72","0.03","97.26","0.04","93.14","0.04","1146.7","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H38 O -","- C26 H38 O -","- C52 H76 O2 -","2","1","DU1111","Ginderow, D.","5-(2,6,6-Triméthyl-2-cyclohexen-1-yl)-3-[2-(2,6,6-triméthyl-2-cyclohexen-1-yl)éthenyl]-2-cyclohexen-1-one","Acta Crystallographica Section C","1995","51","11","2455","2458","10.1107/S0108270195006585","","","1.5418","CuKα","","0.0766","0.0726","","0.1999","0.1926","","","","1.063","1.063","1.063","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004122","45.92","0.05","10.418","0.003","7.923","0.008","90","","92.94","0.05","90","","3785","6","293","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Cs2 Mo4 O13 -","- Cs2 Mo4 O13 -","- Cs24 Mo48 O156 -","12","1.5","DU1116","Marrot, J.; Savariault, J.-M.","Two Original Infinite Chains in the New Caesium Tetramolybdate Compound Cs~2~Mo~4~O~13~","Acta Crystallographica Section C","1995","51","11","2201","2205","10.1107/S0108270195004811","","","0.71073","MoKα","","","0.066","","","0.16","","","","","1.161","1.161","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004123","9.368","0.002","3.396","0.001","7.799","0.003","90","","119.42","0.01","90","","216.12","0.12","295","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- As2 Nb -","- As2 Nb -","- As8 Nb4 -","4","0.5","DU1121","Bensch, W.; Heid, W.","NbAs~2~","Acta Crystallographica Section C","1995","51","11","2205","2207","10.1107/S0108270195007062","","","0.7107","MoKα","","","0.0303","","","0.0363","","","","","0.9536","0.9536","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004124","10.6883","0.0006","18.27","0.002","10.9819","0.0007","90","","117.706","0.005","90","","1898.6","0.3","293","","293","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C33 H57 Cl O6 Zr -","- C33 H57 Cl O6 Zr -","- C66 H114 Cl2 O12 Zr2 -","2","0.5","DU1125","Jardin, M.; Gao, Y.; Guéry, J.; Jacoboni, C.","Chlorotris(2,2,6,6-tetramethyl-3,5-heptanedionato-<i>O</i>,<i>O</i>')zirconium(IV)","Acta Crystallographica Section C","1995","51","11","2230","2232","10.1107/S0108270195006494","","","0.71073","MoKα","","","0.041","","","0.041","","","","","1.212","1.212","","","","","has coordinates","192024","2020-10-21","18:00:00",""
"2004125","6.853","0.001","7.878","0.001","18.299","0.003","79.11","0.01","82.37","0.01","68.96","0.01","903.2","0.2","298","","298","","","","","","","","","7","P -1","-P 1","2","","3,4;3',4'-Bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene Hexafluorophosphate Chloroacetyl chloride solvate","","- C11 H9 Cl F3 O0.5 P0.5 S8 -","- C12 H8 Cl F3 O P0.5 S8 -","- C24 H16 Cl2 F6 O2 P S16 -","2","1","FG1017","Abboud, K. A.; Chou, L.-K.; Clevenger, M. B.; de Oliveira, G. F.; Talham, D. R.","Three BEDT-TTF Salts","Acta Crystallographica Section C","1995","51","11","2356","2362","10.1107/S0108270195005592","","","0.71073","MoKα","","0.0599","0.0397","","0.0487","0.0455","","","","","1.42","1.42","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004126","8.019","0.002","9.889","0.002","12.726","0.002","80.21","0.02","85.31","0.02","81.69","0.02","982.3","0.4","298","","298","","","","","","","","","6","P -1","-P 1","2","","3,4;3',4'-Bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene Hexafluorophosphate Tetrahydrofuran solvate","","- C12 H12 F6 O0.5 P S8 -","- C17 H22 F6 O P S8 -","- C34 H44 F12 O2 P2 S16 -","2","1","FG1017","Abboud, K. A.; Chou, L.-K.; Clevenger, M. B.; de Oliveira, G. F.; Talham, D. R.","Three BEDT-TTF Salts","Acta Crystallographica Section C","1995","51","11","2356","2362","10.1107/S0108270195005592","","","0.71073","MoKα","","0.0891","0.0453","","0.0638","0.0523","","","","","1.57","1.57","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004127","14.172","0.002","10.63","0.002","5.751","0.001","90","","103.78","0.01","90","","841.4","0.2","298","","298","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","3,4;3',4'-Bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene Perchlorate","","- C10 H8 Cl O4 S8 -","- C15 H16 O8 S8 -","- C30 H32 O16 S16 -","2","0.25","FG1017","Abboud, K. A.; Chou, L.-K.; Clevenger, M. B.; de Oliveira, G. F.; Talham, D. R.","Three BEDT-TTF Salts","Acta Crystallographica Section C","1995","51","11","2356","2362","10.1107/S0108270195005592","","","0.71073","MoKα","","0.0655","0.0488","","0.0692","0.0644","","","","","2.26","2.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004128","8.634","0.001","8.863","0.002","11.745","0.001","90","","98.33","0.01","90","","889.3","0.2","294","","294","","","","","","","","","4","P 1 21 1","P 2yb","4","","Dimethyl 9-chloromethyl-9,10-dihydro-9,10-ethenoanthracene- 11,12-dicarboxylate","","- C21 H17 Cl O4 -","- C21 H17 Cl O4 -","- C42 H34 Cl2 O8 -","2","1","FG1072","Jones, R.; Rettig, S. J.; Trotter, J.","α- and γ-Polymorphs of Dimethyl 9-Chloromethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1995","51","11","2392","2395","10.1107/S0108270195005336","","","1.5418","CopperKα","","","0.079","","","0.088","","","","","4.6","4.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004129","20.55","0.001","10.513","0.001","17.813","0.001","90","","108.11","0.01","90","","3657.7","0.5","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 9-chloromethyl-9,10-dihydro-9,10-ethenoanthracene- 11,12-dicarboxylate","","- C21 H17 Cl O4 -","- C21 H17 Cl O4 -","- C168 H136 Cl8 O32 -","8","2","FG1072","Jones, R.; Rettig, S. J.; Trotter, J.","α- and γ-Polymorphs of Dimethyl 9-Chloromethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1995","51","11","2392","2395","10.1107/S0108270195005336","","","1.5418","CopperKα","","","0.048","","","0.056","","","","","4","4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004130","8.324","0.002","24.833","0.005","8.178","0.001","95.76","0.02","90.62","0.02","90.87","0.02","1681.6","0.6","296","","296","","","","","","","","","5","P -1","-P 1","2","Dichloro-bis(antazoline)-zinc(II)","","","- C34 H38 Cl2 N6 Zn -","- C34 H38 Cl2 N6 Zn -","- C68 H76 Cl4 N12 Zn2 -","2","1","FG1074","Parvez, M.; Rusiewicz, M.","Bis(antazoline)dichlorozinc(II)","Acta Crystallographica Section C","1995","51","11","2277","2279","10.1107/S0108270195006548","","","0.71069","MoKα","","","0.061","","","0.059","","","","","1.99","1.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004131","7.203","0.003","34.626","0.005","7.048","0.001","90","","90","","90","","1757.8","0.8","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,8S,8aS)-(+)-1-(t-Butyldimethylsilyloxy)-8-hydroxy-5-indolizidinone","","- C14 H27 N O3 Si -","- C14 H27 N O3 Si -","- C56 H108 N4 O12 Si4 -","4","1","FG1075","Hua, D. H.; Lagneau, N.; Park, J.-G.; Good, L. A.; Robinson, P. D.","(1<i>S</i>,8<i>S</i>,8a<i>S</i>)-(+)-1-(<i>tert</i>-Butyldimethylsilyloxy)-8-hydroxy-1,2,3,5,6,7,8,8a-octahydro-5-indolizinone","Acta Crystallographica Section C","1995","51","11","2301","2304","10.1107/S0108270195004963","","","0.71069","MoKα","","","0.054","","","0.059","","","","","1.8","1.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004132","5.615","0.002","10.0655","0.001","13.0482","0.001","90","","100.13","0.02","90","","726","0.3","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H18 N4 S3 -","- C11 H18 N4 S3 -","- C22 H36 N8 S6 -","2","1","HU1123","Billing, D. G.; Boeyens, J. C. A.; Lai, L.-L.; Reid, D. H.","2,3-Diethyl-5,6,7,8-tetrahydro-2aλ^4^-thia-2,3,4a,8a-tetraazacyclopent[<i>cd</i>]azulene-1(2<i>H</i>),4(3<i>H</i>)-dithione","Acta Crystallographica Section C","1995","51","11","2354","2356","10.1107/S010827019500343X","","","0.71069","MoKα","","","","","","","","","","","0.946","0.946","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004133","10.711","0.004","6.115","0.003","21.514","0.004","90","","99.919","0.02","90","","1388.1","0.9","120","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 -","- C19 H16 -","- C76 H64 -","4","1","HU1135","Rajnikant; Watkin, D. J.; Tranter, G.","4-Benzylbiphenyl","Acta Crystallographica Section C","1995","51","11","2388","2390","10.1107/S0108270195006329","","","0.71069","MoKα","","","0.0429","","","0.051","","","","","0.994","0.994","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004134","13.363","0.003","12.802","0.002","10.828","0.002","90","","107.04","0.02","90","","1771.1","0.6","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H20 Fe O6 -","- C16 H20 Fe O6 -","- C64 H80 Fe4 O24 -","4","1","JZ1034","Solans, X.; Font-Bardia, M.","3,4-Bis(<i>tert</i>-butoxy)-2,4-cyclopentadien-1-one and its <i>fac</i>-Tricarbonyliron(0) Complex","Acta Crystallographica Section C","1995","51","11","2255","2258","10.1107/S0108270195003039","","","0.71069","MoKα","","","0.048","","","0.124","","","","","0.972","0.972","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004135","11.679","0.003","9.741","0.002","11.74","0.003","90","","95.5","0.03","90","","1329.5","0.6","293","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C52 H80 O12 -","4","1","JZ1034","Solans, X.; Font-Bardia, M.","3,4-Bis(<i>tert</i>-butoxy)-2,4-cyclopentadien-1-one and its <i>fac</i>-Tricarbonyliron(0) Complex","Acta Crystallographica Section C","1995","51","11","2255","2258","10.1107/S0108270195003039","","","0.71069","MoKα","","","0.052","","","0.126","","","","","0.93","0.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004136","5.381","0.001","24.265","0.002","8.988","0.002","90","","90.61","0.01","90","","1173.5","0.4","130","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N5 O4 -","- C10 H13 N5 O4 -","- C40 H52 N20 O16 -","4","2","JZ1044","Schaible, H.-G.; Bats, J. W.; Engels, J. W.","5'-Azido-2',5'-dideoxythymidine","Acta Crystallographica Section C","1995","51","11","2410","2412","10.1107/S0108270195009310","","","1.54184","CuKα","","","0.027","","","0.081","","","","","2.39","2.39","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004137","12.551","0.002","5.0137","0.001","12.7","0.002","90","","104.62","0.02","90","","773.3","0.2","135","","","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C4 H5 K2 O6.5 -","- C4 H5 K2 O6.5 -","- C16 H20 K8 O26 -","4","1","JZ1050","Boese, R.; Bläser, D.; Latz, R.; Piennisch, M.","Dipotassium <small>L</small>-Tartrate Semihydrate","Acta Crystallographica Section C","1995","51","11","2227","2229","10.1107/S010827019500566X","","","0.71069","MoKα","","","0.0339","","","0.0341","","","","","1.0505","1.0505","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004138","9.503","0.003","8.05","0.001","18.033","0.002","90","","98.68","0.02","90","","1363.7","0.5","228","2","228","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis(η^5^-Cyclopentadienyl)zirkonium(2-n-butyl)acetylid Dimer","","- C32 H38 Zr2 -","- C32 H38 Zr2 -","- C64 H76 Zr4 -","2","0.5","JZ1052","Heshmatpour, F.; Wocadlo, S.; Massa, W.; Dehnicke, K.","Bis(η^5^-Cyclopentadienyl)zirkonium(2-<i>n</i>-butyl)acetylid Dimer","Acta Crystallographica Section C","1995","51","11","2225","2227","10.1107/S0108270195006482","","","0.71073","MoKα","","0.0495","0.0352","","0.086","0.082","","","","0.907","1.018","1.018","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004139","4.5164","0.0005","6.1355","0.0009","18.515","0.003","90","","94.58","0.02","90","","511.42","0.13","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C H6 Fe N O5 P -","- C H6 Fe N O5 P -","- C4 H24 Fe4 N4 O20 P4 -","4","1","JZ1053","Cavellec, M.; Riou, D.; Ferey, G.","A Two-Dimensional Iron Phosphate Templated by Ethylenediamine","Acta Crystallographica Section C","1995","51","11","2242","2244","10.1107/S0108270195006731","","","0.71073","MoKα","","0.0246","0.0246","","0.0641","0.0641","","","","1.072","1.072","1.072","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004140","10.625","0.001","12.598","0.002","13.551","0.001","101.85","0.01","112.3","0.01","90.66","0.01","1634.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","N,N'[1,1'-dimethylene-3,3'-biisoquinoline 2,2'-dioxide]4,13-diaza-18-crown-6 sodium bromide","","- C32 H40 Br N4 Na O7 -","- C32 H40 Br N4 Na O7 -","- C64 H80 Br2 N8 Na2 O14 -","2","1","KA1105","Suwinska, K.","Inclusion Complex of <i>N</i>,<i>N</i>'-(1,1'-Dimethylene-3,3'-biisoquinoline 2,2'-dioxide)-4,13-diaza-18-crown-6 with Sodium Bromide","Acta Crystallographica Section C","1995","51","11","2232","2235","10.1107/S0108270195004136","","","1.54178","CuKα","","0.0379","0.0361","","0.1068","0.105","","","","1.052","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004141","7.4393","0.0008","7.6507","0.0004","15.6806","0.0008","90","","90","","90","","892.47","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethylenediammonium Tartrate","","- C6 H14 N2 O6 -","- C6 H14 N2 O6 -","- C24 H56 N8 O24 -","4","1","KA1121","Güneş, B.; Soylu, H.; Akkurt, O.; Özbey, S.","Aminoethylammonium Tartrate","Acta Crystallographica Section C","1995","51","11","2346","2348","10.1107/S0108270195006202","","","0.71069","MoKα","","0.0652","0.0618","","0.1706","0.1638","","","","1.131","1.148","1.148","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004142","9.211","0.004","14.671","0.004","11.533","0.004","90","","111.14","0.04","90","","1453.6","1","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C68 H76 N12 O4 -","4","1","KA1123","Sudha, L.; Senthil Selvan, J.; Subramanian, K.; Steiner, Th.; Koellner, G.; Srinivasan, N.; Ramdas, K.","3,3-(Oxydiethyl)-1,2-diphenylguanidine","Acta Crystallographica Section C","1995","51","11","2329","2331","10.1107/S0108270195007645","","","1.54184","CuKα","","","0.065","","","0.065","","","","","1.26","1.26","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004143","8.526","0.006","10.815","0.005","17.547","0.009","90","","90.4","0.06","90","","1617.9","1.6","295","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C64 H96 O12 -","4","1","KA1125","Lakshmi, S.; Subramanian, K.; Rajagopalan, K.; Koellner, G.; Steiner, Th.","Alkynyl Contacts in 1β-Hydroxy-1α-propargyl-2α-(2-ethoxycarbonylvinyl)-2,4,4-trimethylcyclopentane","Acta Crystallographica Section C","1995","51","11","2325","2327","10.1107/S0108270195007499","","","1.54184","CuKα","","","0.057","","","0.057","","","","","0.82","0.82","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004144","10.832","0.002","8.524","0.002","15.634","0.003","90","","108.31","0.03","90","","1370.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(phenylsulfonyl)-1,6-dioxaspiro[4.5]decan-10-one","","- C14 H16 O5 S -","- C14 H16 O5 S -","- C56 H64 O20 S4 -","4","1","KA1126","Alonso, I.; López-Solera, I.; Raithby, P. R.","4-Sulfonyl-1,6-dioxaspiro[4.5]decanes","Acta Crystallographica Section C","1995","51","11","2381","2383","10.1107/S0108270195006214","","","0.71073","MoKα","","0.0942","0.0496","","0.1255","0.1037","","","","1.017","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004145","8.613","0.002","10.453","0.002","10.561","0.002","63.55","0.03","68.81","0.03","84.74","0.03","791","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,7-dimethyl-4-(phenylsulfonyl)-1,6-dioxaspiro[4.5]decan-10-one","","- C16 H20 O5 S -","- C16 H20 O5 S -","- C32 H40 O10 S2 -","2","1","KA1126","Alonso, I.; López-Solera, I.; Raithby, P. R.","4-Sulfonyl-1,6-dioxaspiro[4.5]decanes","Acta Crystallographica Section C","1995","51","11","2381","2383","10.1107/S0108270195006214","","","1.54178","CuKα","","0.046","0.0427","","0.1232","0.1199","","","","1.05","1.077","1.077","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004146","14.928","0.003","14.999","0.002","18.952","0.002","90","","90","","90","","4243.4","1.1","294","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N4 O2 S -","- C22 H26 N4 O2 S -","- C176 H208 N32 O16 S8 -","8","1","KA1128","Sudha, L.; Senthil Selvan, J.; Subramanian, K.; Steiner, Th.; Koellner, G.; Srinivasan, N.; Ramdas, K.","1-(Morpholinothiocarbonyl)-3,3-(oxydiethyl)-1,2-diphenylguanidine","Acta Crystallographica Section C","1995","51","11","2323","2325","10.1107/S0108270195007165","","","1.54184","CuKα","","","0.068","","","0.073","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004147","7.764","0.0008","13.784","0.002","15.692","0.0015","90","","103.77","0.008","90","","1631.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","2'-Methoxy-5'-methoxycarbonylspiro[dihydroacridine-9(10H),4'-thiazoline]","","- C18 H16 N2 O3 S -","- C18 H16 N2 O3 S -","- C72 H64 N8 O12 S4 -","4","1","KA1131","Černák, J.; Kristian, P.; Bernát, J.; Lipkowski, J.","2'-Methoxy-5'-methoxycarbonylspiro[acridine-9(10<i>H</i>),4'(5'<i>H</i>)-thiazole]","Acta Crystallographica Section C","1995","51","11","2397","2399","10.1107/S0108270195006925","","","1.54178","CuKα","","0.0663","0.0538","","0.1628","0.1445","","","","1.07","1.104","1.104","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004148","7.625","0.003","11.262","0.002","13.883","0.002","90","","90","","90","","1192.2","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","N-(p-tolyl)phthalimide","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C60 H44 N4 O8 -","4","1","KA1133","Bocelli, G.; Cantoni, A.; Cozzini, P.","<i>N</i>-(<i>p</i>-Tolyl)phthalimide","Acta Crystallographica Section C","1995","51","11","2372","2374","10.1107/S0108270195007177","","","1.54178","CuKα","","0.0334","0.0304","","0.0806","0.0781","","","","1.027","1.031","1.031","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004149","7.286","0.002","7.408","0.002","30.52","0.01","90","","90","","90","","1647.3","0.8","296","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cd Cl4 N2 O -","- C12 H14 Cd Cl4 N2 O -","- C48 H56 Cd4 Cl16 N8 O4 -","4","0.5","KH1005","Huang, X.-Y.; Ye, Q.; Meng, Q.-J.; You, X.-Z.","4,4'-Oxydianilinium Tetrachlorocadmate(II), an Intercalation Compound","Acta Crystallographica Section C","1995","51","11","2285","2287","10.1107/S0108270195005762","","","0.71069","MoKα","","","0.041","","","0.054","","","","","1.86","1.86","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004150","14.664","0.002","13.913","0.001","17.592","0.008","90","","102.65","0.02","90","","3502","1.7","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Cl6 Eu N4 O8 -","- C30 H23 Cl6 Eu N4 O8 -","- C120 H92 Cl24 Eu4 N16 O32 -","4","1","KH1017","Lu, W.; Cheng, Y.; Dong, N.; Gu, J.; Xu, C.","Diaquabis(dichloroacetato)bis(1,10-phenanthroline)europium(III) Dichloroacetate and the Corresponding Erbium(III) Complex","Acta Crystallographica Section C","1995","51","11","2295","2299","10.1107/S0108270195004756","","","0.71073","MoKα","","","0.043","","","0.052","","","","","3.556","3.556","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004151","14.564","0.002","13.879","0.002","17.505","0.008","90","","102.36","0.02","90","","3456.3","1.7","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Cl6 Er N4 O8 -","- C30 H23 Cl6 Er N4 O8 -","- C120 H92 Cl24 Er4 N16 O32 -","4","1","KH1017","Lu, W.; Cheng, Y.; Dong, N.; Gu, J.; Xu, C.","Diaquabis(dichloroacetato)bis(1,10-phenanthroline)europium(III) Dichloroacetate and the Corresponding Erbium(III) Complex","Acta Crystallographica Section C","1995","51","11","2295","2299","10.1107/S0108270195004756","","","0.71073","MoKα","","","0.054","","","0.059","","","","","4.785","4.785","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004152","9.632","0.001","13.094","0.001","13.226","0.001","90","","101.65","0.01","90","","1633.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(p-Chlorophenyl)-4β(2'-thienyl)-5α-carbomethoxy methyl pyrrolydin-2-one.","","- C17 H16 Cl N O3 S -","- C17 H16 Cl N O3 S -","- C68 H64 Cl4 N4 O12 S4 -","4","1","KH1028","Sivakumar, K.; Fun, H.-K.; Ray, J. K.; Roy, B. C.; Nigam, G. D.","1-(<i>p</i>-Chlorophenyl)-5α-methoxycarbonylmethyl-4β-(2-thienyl)pyrrolidin-2-one","Acta Crystallographica Section C","1995","51","11","2444","2446","10.1107/S0108270195006111","","","0.71073","MoKα","","0.0559","0.0424","","0.1266","0.1215","","","","1.082","1.206","1.206","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004153","12.119","0.001","12.984","0.001","10.335","0.001","90","","90.67","0.01","90","","1626.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3,4,6,7-hexahydro-10-chloronaphtho[6,7-c]acridine","","- C21 H18 Cl N -","- C21 H16.304 Cl N -","- C84 H65.216 Cl4 N4 -","4","1","KH1029","Ray, J. K.; Haldar, M.; Nigam, G. D.; Sivakumar, K.; Fun, H.-K.","1,2,3,4,6,7-Hexahydro-10-chloronaphtho-[3,2-<i>c</i>]acridine","Acta Crystallographica Section C","1995","51","11","2441","2443","10.1107/S0108270195006123","","","0.71073","MoKα","","0.0676","0.0454","","0.1383","0.1278","","","","0.967","1.117","1.117","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004154","8.535","0.002","8.535","0.002","17.339","0.006","90","","90","","90","","1263.1","0.6","138","","","","","","","","","","","3","P 41","P 4w","76","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","KH1035","Gainsford, G. J.; Furneaux, R. H.; Mason, J. M.; Tyler, P. C.","1,6-Anhydro-4-<i>O</i>-benzyl-3-deoxy-2-<i>O</i>-methyl-β-<small>D</small>-<i>ribo</i>-hexopyranose and 1,6-Anhydro-4-<i>O</i>-benzyl-2-<i>C</i>-(2-cyanoethyl)-2,3-dideoxy-β-<small>D</small>-<i>ribo</i>-hexopyranose","Acta Crystallographica Section C","1995","51","11","2418","2421","10.1107/S0108270195007256","","","0.71073","MoKα","","","0.036","","","0.043","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004155","6.229","0.002","11.951","0.003","18.865","0.006","90","","90","","90","","1404.4","0.7","143","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","KH1035","Gainsford, G. J.; Furneaux, R. H.; Mason, J. M.; Tyler, P. C.","1,6-Anhydro-4-<i>O</i>-benzyl-3-deoxy-2-<i>O</i>-methyl-β-<small>D</small>-<i>ribo</i>-hexopyranose and 1,6-Anhydro-4-<i>O</i>-benzyl-2-<i>C</i>-(2-cyanoethyl)-2,3-dideoxy-β-<small>D</small>-<i>ribo</i>-hexopyranose","Acta Crystallographica Section C","1995","51","11","2418","2421","10.1107/S0108270195007256","","","0.71073","MoKα","","","0.041","","","0.043","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004156","18.541","0.001","8.291","0.002","15.366","0.001","90","","97.26","0.01","90","","2343.2","0.6","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","cis-(±)-1,2,3,6,11,11a-Hexahydro-6-methyl-4H-benzo[b]quinolizin-4-one","","- C14 H17 N O -","- C14 H17 N O -","- C112 H136 N8 O8 -","8","1","KH1038","Beckwith, A. L. J.; Joseph, S. P.; Mayadunne, R. T. A.; Willis, A. C.","<i>cis</i>-(±)-1,2,3,6,11,11a-Hexahydro-6-methyl-4<i>H</i>-benzo[<i>b</i>]quinolizin-4-one","Acta Crystallographica Section C","1995","51","11","2307","2309","10.1107/S0108270195005750","","","1.5418","CopperKα","","0.067","0.047","","0.072","0.063","","","","1.449","1.555","1.555","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004157","38.48","0.01","9.046","0.002","12.344","0.001","90","","106.08","0.03","90","","4128.7","1.6","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(2-hydroxyphenyl)salicylaldimin","","- C13 H11 N O2 -","- C13 H9 N O3 -","- C208 H144 N16 O48 -","16","2","LI1119","Elerman, Y.; Elmali, A.; Atakol, O.; Svoboda, I.","<i>N</i>-(2-Hydroxyphenyl)salicylaldimine","Acta Crystallographica Section C","1995","51","11","2344","2346","10.1107/S010827019500388X","","","0.71069","MoKα","","","0.09","","","0.09","","","","","1.15","1.15","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004158","4.845","0.001","5.517","0.001","23.033","0.003","90","","93.62","0.01","90","","614.44","0.19","296","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N O5 P -","- C10 H14 N O5 P -","- C20 H28 N2 O10 P2 -","2","1","MD1002","Chadha, R. K.; Ösapay, G.","(<i>S</i>)-[1-(Benzyloxycarbonylamino)ethyl]phosphonic Acid","Acta Crystallographica Section C","1995","51","11","2340","2342","10.1107/S0108270195004355","","","1.54178","CuKα","","","0.045","","","0.061","","","","","1.68","1.68","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004159","9.381","0.003","17.599","0.006","18.111","0.003","90","","95.09","0.03","90","","2978.3","1.5","296","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 F6 N2 Ni O4 S2 -","- C28 H22 F6 N2 Ni O4 S2 -","- C112 H88 F24 N8 Ni4 O16 S8 -","4","0.5","MU1173","Xiong, R.-G.; You, X.-Z.; Huang, X.-Y.","Redetermination of <i>cis</i>-Bis(4-methylpyridine)bis[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-<i>O</i>,<i>O</i>']nickel(II)","Acta Crystallographica Section C","1995","51","11","2260","2261","10.1107/S0108270195005877","","","0.71069","MoKα","","","0.064","","","0.074","","","","","1.71","1.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004160","8.459","0.002","9.132","0.003","9.903","0.002","95.22","0.02","84.14","0.02","104.72","0.02","734.3","0.3","296","","","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H34 N2 Ni O4 P2 S4 -","- C20 H34 N2 Ni O4 P2 S4 -","- C20 H34 N2 Ni O4 P2 S4 -","1","0.5","MU1176","Song, B.-L.; Xiong, R.-G.; You, X.-Z.; Huang, X.-Y.","<i>trans</i>-Bis(<i>O</i>,<i>O</i>'-diethyl dithiophosphato-<i>S</i>,<i>S</i>')bis(4-methylpyridine)nickel(II)","Acta Crystallographica Section C","1995","51","11","2258","2259","10.1107/S0108270195005130","","","0.71073","MoKα","","","0.052","","","0.065","","","","","1.56","1.56","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004161","17.755","0.002","5.29","0.005","17.383","0.003","90","","121.48","0.01","90","","1392.4","1.4","298","2","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H30 Cd N4 O10 S2 -","- C24 H30 Cd N4 O10 S2 -","- C48 H60 Cd2 N8 O20 S4 -","2","0.5","MU1179","Lusvardi, G.; Menabue, L.; Saladini, M.","Cadmium(II) <i>N</i>-(<i>p</i>-Tolylsulfonyl)glutaminate","Acta Crystallographica Section C","1995","51","11","2287","2289","10.1107/S0108270195005385","","","0.71069","MoKα","","","0.041","","","0.038","","","","","0.56","0.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004162","24.4935","0.0004","24.4935","0.0004","19.1219","0.0006","90","","90","","120","","9934.9","0.4","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","chlorotriphenyltin","chlorotriphenyltin","","- C18 H15 Cl Sn -","- C18 H15 Cl Sn -","- C432 H360 Cl24 Sn24 -","24","1.33333","MU1190","Ng, S. W.","Rhombohedral Chlorotriphenyltin","Acta Crystallographica Section C","1995","51","11","2292","2293","10.1107/S0108270195006998","","","0.71073","MoKα","","0.0546","0.0344","","0.0871","0.0766","","","","1.088","1.134","1.134","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004163","5.561","0.002","8.159","0.003","11.353","0.004","90","","100.73","0.04","90","","506.1","0.3","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 -","- C12 H12 N2 -","- C24 H24 N4 -","2","0.5","NA1166","Ide, S.; Karacan, N.; Tufan, Y.","1,2-Bis(4-pyridyl)ethane","Acta Crystallographica Section C","1995","51","11","2304","2305","10.1107/S0108270195005221","","","0.71073","MoKα","","","0.035","","","0.038","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004164","38.4","0.01","38.4","0.01","12.092","0.009","90","","90","","120","","15442","13","80","2","80","2","","","","","","","","7","R 3 :H","R 3","146","","fac-tris(thiocyanato)-tris(triphenylphosphine oxide)iron(III)","","- C57 H45 Fe N3 O3 P3 S3 -","- C57 H45 Fe N3 O3 P3 S3 -","- C684 H540 Fe12 N36 O36 P36 S36 -","12","1.33333","NA1168","Olejnik, Z.; Lis, T.; Ondrejkovicová, I.","<i>fac</i>-Tris(isothiocyanato)tris(triphenylphosphine oxide)iron(III) at 80 K","Acta Crystallographica Section C","1995","51","11","2246","2249","10.1107/S0108270195006354","","","0.71069","MoKα","","","0.0289","","","0.0759","","","","","1.03","1.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004165","14.806","0.002","10.677","0.002","19.669","0.005","90","","108.55","0.02","90","","2947.8","1.1","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 F12 Fe N7 P2 -","- C24 H27 F12 Fe N7 P2 -","- C96 H108 F48 Fe4 N28 P8 -","4","1","NA1171","Boubekeur, K.; Deroche, A.; Lambert, F.; Morgenstern-Badarau, I.","{Tris[4-(2-pyridyl)-3-aza-3-butenyl]amine}iron(II) Bis(hexafluorophosphate), [Fe(py~3~tren)](PF~6~)~2~","Acta Crystallographica Section C","1995","51","11","2244","2246","10.1107/S010827019500597X","","","0.71073","MoKα","","","0.051","","","0.061","","","","","1.854","1.854","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004166","6.967","0.001","10.346","0.002","12.877","0.003","90","","94.12","0.03","90","","925.8","0.3","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Cl4 N6 O2 Sn -","- C10 H18 Cl4 N6 O2 Sn -","- C20 H36 Cl8 N12 O4 Sn2 -","2","0.5","NA1172","Casellato, U.; Graziani, R.; Martelli, M.; Plazzogna, G.","Bis(cytosinium) Tetrachlorodimethylstannate(IV)","Acta Crystallographica Section C","1995","51","11","2293","2295","10.1107/S0108270195005312","","","0.7107","MoKα","","","0.028","","","0.028","","","","","1.024","1.024","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004167","7.75","0.004","13.131","0.006","10.912","0.003","90","","91.22","0.03","90","","1110.2","0.8","173","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Br2 O2 -","- C10 H10 Br2 O2 -","- C40 H40 Br8 O8 -","4","1","NA1173","Li, S.; Lundquist, K.; Soubbotin, N.; Stomberg, R.","2-Bromo-4-[2-bromo-(<i>E</i>)-propylidene]-6-methoxy-2,5-cyclohexadien-1-one","Acta Crystallographica Section C","1995","51","11","2366","2369","10.1107/S0108270195006317","","","0.71073","MoKα","","","0.029","","","0.031","","","","","1.19","1.19","","","","","has coordinates,has disorder","192026","2020-10-21","18:00:00",""
"2004168","12.811","0.002","7.771","0.001","18.098","0.002","90","","109.6","0.1","90","","1697.3","1.1","295","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Cl4 Cu N6 O2 -","- C10 H16 Cl4 Cu N6 O2 -","- C40 H64 Cl16 Cu4 N24 O8 -","4","0.5","NA1174","Valle, G.; Ettorre, R.; Peruzzo, V.","Bis(1-methylcytosinium) Tetrachlorocuprate(II)","Acta Crystallographica Section C","1995","51","11","2273","2275","10.1107/S0108270195006937","","","0.7107","MoKα","","","0.05","","","0.055","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004169","13.529","0.008","14.323","0.008","8.447","0.004","90","","91.93","0.02","90","","1635.9","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","II","4,6-Dimethoxy-3-methyl-dihydrotriazine-2-one","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C48 H72 N24 O24 -","8","2","NA1180","Handelsman-Benory, E.; Botoshansky, M.; Kaftory, M.","4,6-Dimethoxy-3-methyl-1,3,5-triazin-2(3<i>H</i>)-one and 6-Methoxy-3,5-dimethyl-1,3,5-triazine-2,4(3<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section C","1995","51","11","2421","2424","10.1107/S0108270195007220","","","0.71069","MoKα","","0.1125","0.067","","0.1853","0.16","","","","1.064","1.232","1.232","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004170","8.362","0.004","14.356","0.008","7.168","0.004","90","","114.41","0.02","90","","783.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","III","6-Methoxy-3,5-dimethyl-tetrahydrotriazine-2,4,-dione","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C24 H36 N12 O12 -","4","1","NA1180","Handelsman-Benory, E.; Botoshansky, M.; Kaftory, M.","4,6-Dimethoxy-3-methyl-1,3,5-triazin-2(3<i>H</i>)-one and 6-Methoxy-3,5-dimethyl-1,3,5-triazine-2,4(3<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section C","1995","51","11","2421","2424","10.1107/S0108270195007220","","","0.71069","MoKα","","0.1071","0.078","","0.1986","0.167","","","","1.13","1.241","1.241","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004171","6.908","0.006","9.662","0.001","14.012","0.002","84.53","0.01","74.5","0.03","86.98","0.03","896.8","0.8","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N8 O7 -","- C14 H18 N8 O7 -","- C28 H36 N16 O14 -","2","1","NS1005","Gallardo, H.; Meyer, E.; Vencato, I.","5-(2,4-Dihydroxyphenyl)tetrazole Sesquihydrate","Acta Crystallographica Section C","1995","51","11","2430","2432","10.1107/S0108270195007505","","","0.7107","Mo","","","0.0468","","","0.06","","","","","0.75","0.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004172","10.427","0.001","7.197","0.001","11.805","0.001","90","","99.755","0.008","90","","873.08","0.17","296","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H21 N7 -","- C16 H21 N7 -","- C32 H42 N14 -","2","1","OH1073","Saito, H.; Eda, M.; Sugio, S.; Ueda, Y.","Chiral <i>N</i>-(6-Amino-3-pyridyl)-<i>N</i>'-bicycloalkyl-<i>N</i>''-cyanoguanidine Derivative: a Novel Potassium-Channel Opener","Acta Crystallographica Section C","1995","51","11","2331","2333","10.1107/S010827019500031X","","","1.5418","CuKα","","","0.045","","","0.071","","","","","1.45","1.45","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004173","11.4603","0.0002","11.4603","0.0002","11.4603","0.0002","90","","90","","90","","1505.18","0.05","298","","","","","","","","","","","4","I a -3 d","","","","","","- Al2 Co3 O12 Si3 -","- Al2 Co3 O12 Si3 -","- Al16 Co24 O96 Si24 -","8","0.0833333","OH1074","Ohashi, H.; Osawa, T.; Sato, A.","Low-Pressure Polymorph of Co~3~Al~2~Si~3~O~12~","Acta Crystallographica Section C","1995","51","11","2213","2215","10.1107/S0108270195004719","","","0.71073","MoKα","","","0.021","","","0.03","","","","","1.014","1.014","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004174","10.494","0.001","10.494","0.001","8.939","0.002","90","","90","","90","","984.4","0.3","296","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- B6 Cs Li O10 -","- B6 Cs Li O10 -","- B24 Cs4 Li4 O40 -","4","0.25","OH1076","Sasaki, T.; Mori, Y.; Kuroda, I.; Nakajima, S.; Yamaguchi, K.; Watanabe, S.; Nakai, S.","Caesium Lithium Borate: a New Nonlinear Optical Crystal","Acta Crystallographica Section C","1995","51","11","2222","2224","10.1107/S0108270195005798","","","0.71073","MoKα","","","0.023","","","0.035","","","","","2.37","2.37","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004175","5.23","0.003","6.822","0.001","5.175","0.002","91.54","0.02","117.51","0.03","90.46","0.03","163.66","0.12","293","","","","","","","","","","","5","P -1","-P 1","2","","magnesium sodium monophosphate","","- H Mg Na3 O8 P2 -","- H Mg Na3 O8 P2 -","- H Mg Na3 O8 P2 -","1","0.5","OH1084","Kawahara, A.; Yamakawa, J.; Yamada, T.; Kobashi, D.","Synthetic Magnesium Sodium Hydrogen Monophosphate: MgNa~3~H(PO~4~)~2~","Acta Crystallographica Section C","1995","51","11","2220","2222","10.1107/S0108270195006901","","","0.71069","MoKα","","","0.026","","","0.033","","","","","2.34","2.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004176","7.181","0.002","8.485","0.003","11.446","0.003","90","","103.11","0.02","90","","679.2","0.4","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 Br N2 O -","- C13 H17 Br N2 O -","- C26 H34 Br2 N4 O2 -","2","1","PA1181","Belin, C.; Chauvet, A.; Leloup, J. M.; Ribet, J. P.; Maurel, J. L.","2-[2-(2-Ethyl-2,3-dihydrobenzofuranyl)]-2-imidazoline Hydrobromide","Acta Crystallographica Section C","1995","51","11","2439","2441","10.1107/S0108270195006706","","","0.7107","MoKα","","","0.0391","","","0.0494","","","","","0.87","0.87","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004177","9.61","0.003","11.468","0.003","9.043","0.002","109.26","0.03","98.36","0.02","73.59","0.03","901","0.5","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H22 O8 -","- C17 H22 O8 -","- C34 H44 O16 -","2","1","PA1182","Bocelli, G.; Cantoni, A.; Costa, M.","Dimethyl 4,4-Bis(ethoxycarbonyl)-1,2-cyclopentanediylidenediacetate","Acta Crystallographica Section C","1995","51","11","2374","2376","10.1107/S010827019500669X","","","0.71069","MoKα","","0.1558","0.0436","","0.1071","0.0947","","","","0.7","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004178","21.184","0.005","21.184","0.005","15.412","0.004","90","","90","","90","","6916","3","291","2","293","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C16 H12 Cl N O3 -","- C16 H12 Cl N O3 -","- C256 H192 Cl16 N16 O48 -","16","1","PA1184","Palmer, R. A.; Richards, A. J.; Lisgarten, J. N.","2-Benzamido-3-(<i>p</i>-chlorophenyl)propenoic Acid (Antrex)","Acta Crystallographica Section C","1995","51","11","2338","2340","10.1107/S010827019500672X","","","1.54178","CuKα","","0.1133","0.0695","","0.3261","0.1838","","","","1.07","1.128","1.128","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004179","7.9184","0.001","8.9446","0.0014","10.861","0.002","109.41","0.009","107.918","0.006","90.336","0.006","685.31","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2,4,7-Trimethyl-2,3-dihydro-4H-pyrido[4,3-e]-1,2,4-thiadiazinium 1,1-Dioxide Iodide","","- C9 H14 I N3 O2 S -","- C9 H14 I N3 O2 S -","- C18 H28 I2 N6 O4 S2 -","2","1","PA1187","Dupont, L.; Pirotte, B.; de Tullio, P.; Diouf, O.; Masereel, B.; Delarge, J.","2,4,7-Trimethyl-2,3-dihydro-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazinium 1,1-Dioxide Iodide","Acta Crystallographica Section C","1995","51","11","2412","2414","10.1107/S0108270195008006","","","1.5418","CuKα","","0.0743","0.0692","","0.2008","0.1896","","","","1.072","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004180","12.641","0.002","5.5304","0.001","13.615","0.003","90","","105.847","0.015","90","","915.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","3,7-Dimethyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide inner salt","","- C8 H9 N3 O2 S -","- C8 H9 N3 O2 S -","- C32 H36 N12 O8 S4 -","4","1","PA1192","Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.","3,7-Dimethyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Zwitterion","Acta Crystallographica Section C","1995","51","11","2414","2416","10.1107/S010827019500802X","","","1.5418","CuKα","","0.0636","0.0454","","0.1281","0.1208","","","","0.948","1.063","1.063","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004181","7.3767","0.0007","8.1696","0.0007","8.5483","0.0007","82.557","0.009","83.195","0.007","84.162","0.005","505.27","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","7-Methyl-3-methylsulfanyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-Dioxide Inner Salt","","- C8 H9 N3 O2 S2 -","- C8 H9 N3 O2 S2 -","- C16 H18 N6 O4 S4 -","2","1","PA1194","Dupont, L.; de Tullio, P.; Pirotte, B.; Masereel, B.; Delarge, J.","7-Methyl-3-methylthio-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazin-7-ium-4-ide 1,1-Dioxide Zwitterion","Acta Crystallographica Section C","1995","51","11","2416","2417","10.1107/S0108270195008031","","","1.5418","CuKα","","0.0447","0.042","","0.1297","0.1145","","","","1.051","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004182","11.742","0.003","9.1","0.002","15.705","0.003","90","","90","","90","","1678.1","0.7","297","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H12 O3 -","- C8 H11 O3 -","- C64 H88 O24 -","8","1","PT1006","Coté, M. L.; Lalancette, R. A.; Thompson, H. W.","(±)-2-Oxocyclohexaneacetic Acid: Structure and Hydrogen-Bonding Pattern of a γ-Keto Acid","Acta Crystallographica Section C","1995","51","11","2305","2307","10.1107/S0108270195006640","","","0.71073","MoKα","","","0.0446","","","0.0529","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004183","4.463","0.003","11.546","0.005","15.697","0.005","90","","95.75","0.05","90","","804.8","0.7","150","0.2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-acetoxymethylpyrrole-2-carbaldehyde","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","PT1024","Blake, A. J.; McNab, H.; Parsons, S.; Thornley, C.","3-Acetoxymethylpyrrole-2-carbaldehyde","Acta Crystallographica Section C","1995","51","11","2348","2350","10.1107/S0108270195006238","","","0.71073","MoKα","","0.0873","0.0538","","0.1703","0.1244","","","","1.045","0.983","0.983","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004184","7.5018","0.001","17.358","0.004","5.6204","0.0004","90","","90","","90","","731.9","0.2","293","2","293","2","","","","","","","","3","A b m 2","A 2 -2b","39","","","","- S1.68 Se0.32 Ta3 -","- S1.673 Se0.327 Ta3 -","- S13.384 Se2.616 Ta24 -","8","","SE1065","Degen, T.; Harbrecht, B.","Ta~3~S~2{-~<i>x</i>}Se~<i>x~</i>, Partial Substitution of Selenium for Sulfur into a Tantalum-Rich Sulfide","Acta Crystallographica Section C","1995","51","11","2218","2220","10.1107/S0108270194009923","","","0.7093","MoKα","","0.0439","0.0222","","0.0425","0.0397","","","","0.916","0.97","0.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004185","13.719","0.002","7.726","0.001","3.875","0.001","90","","95.5","0.02","90","","408.83","0.13","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","sym-Tricyanobenzene","1,3,5-Tricyanobenzene","","- C9 H3 N3 -","- C9 H3 N3 -","- C18 H6 N6 -","2","1","SE1078","Reddy, D. S.; Panneerselvam, K.; Desiraju, G. R.; Carrell, H. L.; Carrell, C. J.","1,3,5-Tricyanobenzene","Acta Crystallographica Section C","1995","51","11","2352","2354","10.1107/S0108270195004483","","","0.7107","MoKα","","0.052","0.0428","","0.1328","0.1149","","","","0.628","0.611","0.611","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004186","8.575","0.002","20.711","0.004","16.583","0.003","90","","99.91","0.02","90","","2901.1","1","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 N2 Ni O P2 -","- C26 H44 N2 Ni O P2 -","- C104 H176 N8 Ni4 O4 P8 -","4","1","SZ1022","Penney, J.; VanderLende, D. D.; Boncella, J. M.; Abboud, K. A.","<i>trans</i>-Ni(Mes)[N(Ph)C(O)N(H)CMe~3~](PMe~3~)~2~","Acta Crystallographica Section C","1995","51","11","2269","2271","10.1107/S0108270195004513","","","0.71073","MoKα","","","0.0571","","","0.0627","","","","","1.7","1.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004187","6.336","0.004","7.986","0.005","17.602","0.009","90","","92.88","0.06","90","","889.5","0.9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-dinitro-2,2'-biimidazole","","- C12 H18 N8 O6 -","- C12 H18 N8 O6 -","- C24 H36 N16 O12 -","2","0.5","SZ1034","Bryan, C. D.; Scott, S.; Cordes, A. W.; Folkert, S. L.; Hester, C.; Collier, H.","4,4'-Dinitro-2,2'-biimidazole Dimethylformamide Solvate","Acta Crystallographica Section C","1995","51","11","2300","2301","10.1107/S0108270195004525","","","0.7107","MoKα","","0.14","0.051","","0.087","0.067","","","","","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004188","17.833","0.003","17.833","0.003","8.543","0.001","90","","90","","120","","2352.8","0.6","296","","","","","","","","","","","4","P 31","P 31","","","","","- C12 H10 N2 O -","- C12 H8 N2 O -","- C108 H72 N18 O9 -","9","3","TA1000","Tian, Y.-P.; Duan, C.-Y.; Xu, X.-X.; You, X.-Z.","Screw-Chain Structure of 1,10-Phenanthroline Hydrate, C~12~H~8~N~2~.H~2~O","Acta Crystallographica Section C","1995","51","11","2309","2312","10.1107/S010827019500549X","","","0.71073","MoKα","","","0.07","","","0.061","","","","","1.77","1.77","","","","","has coordinates","281832","2023-03-13","07:40:49",""
"2004189","13.887","0.002","8.121","0.001","16.201","0.003","90","","98.15","0.01","90","","1808.6","0.5","300","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O2 S -","- C20 H25 N O2 S -","- C80 H100 N4 O8 S4 -","4","1","VJ1009","Das, B. C.; Pain (Biswas), S.; Biswas, G.; Ganguly, S. N.; Banerjee, A.; Duax, W. L.; Maji, B. B.; Ghatak, K. L.","Tropinyl 2-Isopropylbenzo[<i>b</i>]thiophene-3-carboxylate, C~20~H~25~NO~2~S","Acta Crystallographica Section C","1995","51","11","2386","2388","10.1107/S0108270195004872","","","0.71073","MoKα","","","0.04","","","0.041","","","","","1.01","1.01","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004190","11.346","0.002","12.305","0.001","14.327","0.001","90","","90","","90","","2000.2","0.4","295","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Cl N5 O4 -","- C19 H22 Cl N5 O4 -","- C76 H88 Cl4 N20 O16 -","4","1","VJ1015","Das, A. K.; Bertolasi, V.","<i>N</i>-[1-Phenyl-2(<i>R</i>)-propyl]-2-chloroadenosine. An Activating Agent of the Adenosine A2 Receptor","Acta Crystallographica Section C","1995","51","11","2408","2409","10.1107/S0108270195004793","","","0.71069","MoKα","","","0.0366","","","0.0452","","","","","0.57","0.57","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004191","9.397","0.006","9.627","0.008","13.805","0.008","96.2","0.06","102.31","0.05","115.17","0.06","1076.1","1.5","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 N8 S4 -","- C17 H20 N8 S4 -","- C34 H40 N16 S8 -","2","1","VJ1023","Biswas, G.; Chandra, T.; Avasthi, K.; Maulik, P. R.","1,3-Bis[4,6-bis(methylthio)-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-1-yl]propane","Acta Crystallographica Section C","1995","51","11","2453","2455","10.1107/S0108270195006524","","","0.71073","MoKα","","","0.037","","","0.079","","","","","0.782","0.782","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004192","12.416","0.001","6.391","0.001","15.552","0.002","90","","90","","90","","1234.1","0.3","295","","295","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H12 Hg I2 N4 -","- C6 Hg I2 N4 -","- C24 Hg4 I8 N16 -","4","0.5","NA1153","Svensson, P. H.; Bengtsson-Kloo, L. A.; Stegemann, H.","(Hexamethylenetetramine)diiodomercury(II), HgI~2~.hmt","Acta Crystallographica Section C","1995","51","11","2289","2292","10.1107/S0108270195005567","","","0.7109","MoKα","","","0.0335","","","0.0344","","","","","2.07","2.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004193","7.346","0.001","5.87","0.002","15.959","0.003","90","","99.64","0.01","90","","678.5","0.3","300","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H17 F O3 S -","- C13 H17 F O3 S -","- C26 H34 F2 O6 S2 -","2","1","AB1200","Yakoubi, A.; Kallel, A.; Bizid, A.; Baklouti, A.","<i>trans</i>-2-Fluorocyclohexyl <i>p</i>-Toluenesulfonate and <i>trans</i>-2-Fluorocycloheptyl <i>p</i>-Toluenesulfonate","Acta Crystallographica Section C","1995","51","12","2705","2707","10.1107/S0108270195008080","","","0.71073","MoKα","","","0.029","","","0.032","","","","","1.1","1.1","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004194","6.022","0.001","7.319","0.001","32.279","0.005","90","","90","","90","","1422.7","0.4","300","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 F O3 S -","- C14 H19 F O3 S -","- C56 H76 F4 O12 S4 -","4","1","AB1200","Yakoubi, A.; Kallel, A.; Bizid, A.; Baklouti, A.","<i>trans</i>-2-Fluorocyclohexyl <i>p</i>-Toluenesulfonate and <i>trans</i>-2-Fluorocycloheptyl <i>p</i>-Toluenesulfonate","Acta Crystallographica Section C","1995","51","12","2705","2707","10.1107/S0108270195008080","","","0.71073","MoKα","","","0.044","","","0.046","","","","","1.6","1.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004195","6.576","0.002","7.517","0.002","8.227","0.003","89.88","0.05","70.69","0.05","74","0.05","367.1","0.3","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H9 N S2 -","- C5 H9 N S2 -","- C10 H18 N2 S4 -","2","1","AB1269","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Six Substituted Thiazolidine-2-thiones","Acta Crystallographica Section C","1995","51","12","2661","2665","10.1107/S0108270195007955","","","0.71073","MoKα","","","0.047","","","0.045","","","","","0.539","0.539","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004196","6.312","0.002","10.036","0.003","11.887","0.004","90","","105.39","0.05","90","","726","0.4","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 N S2 -","- C5 H9 N S2 -","- C20 H36 N4 S8 -","4","1","AB1269","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Six Substituted Thiazolidine-2-thiones","Acta Crystallographica Section C","1995","51","12","2661","2665","10.1107/S0108270195007955","","","0.71073","MoKα","","","0.063","","","0.072","","","","","1.59","1.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004197","9.465","0.003","7.036","0.002","12.236","0.004","90","","93.15","0.05","90","","813.6","0.4","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 N S2 -","- C6 H11 N S2 -","- C24 H44 N4 S8 -","4","1","AB1269","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Six Substituted Thiazolidine-2-thiones","Acta Crystallographica Section C","1995","51","12","2661","2665","10.1107/S0108270195007955","","","0.71073","MoKα","","","0.062","","","0.074","","","","","1.42","1.42","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004198","8.583","0.003","8.71","0.003","17.03","0.006","90","","90","","90","","1273.1","0.8","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H7 N S2 -","- C4 H7 N S2 -","- C32 H56 N8 S16 -","8","2","AB1269","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Six Substituted Thiazolidine-2-thiones","Acta Crystallographica Section C","1995","51","12","2661","2665","10.1107/S0108270195007955","","","0.71073","MoKα","","","0.045","","","0.04","","","","","1.209","1.209","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004199","9.351","0.003","9.098","0.003","10.838","0.003","90","","81.54","0.05","90","","912","0.5","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 N S2 -","- C7 H13 N S2 -","- C28 H52 N4 S8 -","4","1","AB1269","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Six Substituted Thiazolidine-2-thiones","Acta Crystallographica Section C","1995","51","12","2661","2665","10.1107/S0108270195007955","","","0.71073","MoKα","","","0.0352","","","0.0345","","","","","0.701","0.701","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004200","13.494","0.004","8.205","0.003","7.491","0.002","90","","90","","90","","829.4","0.4","293","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H11 N S2 -","- C6 H11 N S2 -","- C24 H44 N4 S8 -","4","1","AB1269","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Six Substituted Thiazolidine-2-thiones","Acta Crystallographica Section C","1995","51","12","2661","2665","10.1107/S0108270195007955","","","0.71073","MoKα","","","0.0398","","","0.0383","","","","","0.556","0.556","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004201","9.432","0.001","12.08","0.002","12.542","0.002","97.98","0.01","96.42","0.01","107.87","0.01","1328.7","0.4","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H32 N6 O4 -","- C29 H32 N6 O5 -","- C58 H64 N12 O10 -","2","1","AB1278","Karczmarzyk, Z.; Karolak-Wojciechowska, J.; Pawlowski, M.","7-[3-(Dibenzylamino)-2-hydroxypropyl]-8-(furfurylamino)theophylline","Acta Crystallographica Section C","1995","51","12","2608","2610","10.1107/S0108270195008547","","","1.54184","CuKα","","","0.0563","","","0.0723","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004202","12.0126","0.0008","13.075","0.002","7.4562","0.0008","90","","90","","90","","1171.1","0.2","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 O3 -","- C15 H10 O3 -","- C60 H40 O12 -","4","1","AS1193","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","7-Hydroxy-3-phenylcoumarin, C~15~H~10~O~3~","Acta Crystallographica Section C","1995","51","12","2712","2714","10.1107/S0108270195008821","","","1.54184","CuKα","","","0.038","","","0.043","","","","","2.01","2.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004203","12.421","0.008","12.67","0.007","18.45","0.009","90","","95.48","0.05","90","","2890","3","298","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C30 H48 N2 O -","- C30 H48 N2 O -","- C120 H192 N8 O4 -","4","1","AS1196","Satake, K.; Hattori, T.; Kimura, M.; Kashino, S.","<i>N</i>-Acetyl-3,6-di-<i>tert</i>-butyl-2-(3,6-di-<i>tert</i>-butyl-3<i>H</i>-azepin-2-yl)-2,3-dihydro-1<i>H</i>-azepine","Acta Crystallographica Section C","1995","51","12","2707","2710","10.1107/S0108270195008833","","","0.71073","MoKα","","","0.047","","","0.03","","","","","1.33","1.33","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004204","18.248","0.001","4.442","0.003","15.913","0.002","90","","98.366","0.006","90","","1276.1","0.9","296","","","","","","","","","","","5","C 1 2 1","","","","","","- C4 H4 I N3 O -","- C4 H4 I N3 O -","- C32 H32 I8 N24 O8 -","8","2","AS1199","Okabe, N.; Tamaki, K.; Suga, T.","5-Iodocytosine","Acta Crystallographica Section C","1995","51","12","2696","2698","10.1107/S0108270195008845","","","0.71069","MoKα","","","0.04","","","0.045","","","","","1.75","1.75","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004205","13.464","0.001","6.225","0.001","13.476","0.001","90","","118.52","","90","","992.41","0.19","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N7 O3 -","- C20 H25 N7 O3 -","- C40 H50 N14 O6 -","2","1","BK1090","Howell, P. L.; Pangborn, W. A.; Marshall, G. R.; Zabrocki, J.; Smith, G. D.","A Thyrotropin-Releasing Hormone Analogue: pGlu-Phe-<small>D</small>-Pro-Ψ[CN~4~]-NMe at 293 and 107K","Acta Crystallographica Section C","1995","51","12","2575","2579","10.1107/S0108270194014952","","","0.71069","MoKα","","","0.057","","","0.034","","","","","1.653","1.653","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004206","13.397","0.001","6.171","0.001","13.331","0.001","90","","118.44","0.01","90","","969.1","0.2","107","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N7 O3 -","- C20 H25 N7 O3 -","- C40 H50 N14 O6 -","2","1","BK1090","Howell, P. L.; Pangborn, W. A.; Marshall, G. R.; Zabrocki, J.; Smith, G. D.","A Thyrotropin-Releasing Hormone Analogue: pGlu-Phe-<small>D</small>-Pro-Ψ[CN~4~]-NMe at 293 and 107K","Acta Crystallographica Section C","1995","51","12","2575","2579","10.1107/S0108270194014952","","","0.71069","MoKα","","","0.033","","","0.032","","","","","1.828","1.828","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004207","4.663","0.001","13.275","0.002","20.551","0.003","90","","90","","90","","1272.1","0.4","296","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C48 H72 O20 -","4","0.5","BK1105","Lalancette, R. A.; Thompson, H. W.; Coté, M. L.","<i>cis</i>-2-Oxo-1,3-cyclohexanedipropionic Acid: Structure and Hydrogen-Bonding Pattern of a δ-Keto 1,9-Diacid","Acta Crystallographica Section C","1995","51","12","2617","2619","10.1107/S0108270195008493","","","0.71073","MoKα","","","0.049","","","0.053","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004208","5.7473","0.0006","6.8421","0.0008","32.155","0.004","90","","90.634","0.008","90","","1264.4","0.3","297","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16.5 O3.25 -","- C14 H16.534 O3.267 -","- C56 H66.136 O13.068 -","4","1","BK1110","Coté, M. L.; Lalancette, R. A.; Long, D. J.; Thompson, H. W.","(±)-3-Oxo-<i>trans</i>-2-phenylcyclohexaneacetic Acid: Structure and Hydrogen-Bonding Pattern of a Partially Hydrated δ-Keto Acid","Acta Crystallographica Section C","1995","51","12","2615","2617","10.1107/S0108270195008213","","","0.71073","MoKα","","","0.056","","","0.06","","","","","1.32","1.32","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2004209","11.3031","0.0008","10.9569","0.0012","16.7039","0.0014","90","","105.644","0.006","90","","1992.1","0.3","294","1","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tribenzyltin acetate","Tribenzyltin acetate","","- C23 H24 O2 Sn -","- C23 H24 O2 Sn -","- C92 H96 O8 Sn4 -","4","1","BK1129","Ferguson, G.; Spalding, T. R.; O'Dowd, A. T.; O'Shea, K. C.","Tribenzyltin Acetate, a Redetermination","Acta Crystallographica Section C","1995","51","12","2546","2548","10.1107/S010827019500816X","","","0.7107","MolybdenumKα","","0.0382","0.0261","","0.0724","0.0693","","","","1.068","1.153","1.153","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004210","8.571","0.001","8.842","0.001","16.607","0.001","90","","90","","90","","1258.6","0.2","295","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H18 Cl N O4 -","- C9 H18 Cl N O4 -","- C36 H72 Cl4 N4 O16 -","4","1","BK1131","Weber, H. P.; Anderson, R. C.; Shapiro, M.; Villhauer, E. B.; Gullion, T.","Acetyl-<small>L</small>-carnitine Hydrochloride","Acta Crystallographica Section C","1995","51","12","2570","2572","10.1107/S0108270195008420","","","1.54184","CuKα","","","0.0543","","","0.0639","","","","","3.231","3.231","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004211","13.934","0.002","14.316","0.002","7.101","0.002","97.86","0.01","103.79","0.02","79.6","0.01","1346.5","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","7,19,28-trithiatetracyclo[11,11,7,1^3,23^,1^11,15^]tritriaconta- 1,3(32),11,12,14,23- hexaene-4,9,16,22,25,30-hexayne","","- C31 H20 Cl2 S3 -","- C30.55 H19.1 Cl1.1 S3 -","- C61.1 H38.2 Cl2.2 S6 -","2","1","BK1142","Mague, J. T.; Ensley, H. E.; Mahadevan, S.","A Precursor to Highly Unsaturated Cyclophanes: 7,19,28-Trithiatetracyclo[11.11.7.1^3,23^.1^11,15^]tritriaconta-1,3(32),11(33),12,14,23-hexaene-4,9,16,22,25,30-hexayne","Acta Crystallographica Section C","1995","51","12","2595","2598","10.1107/S0108270195009073","","","0.71073","MoKα","","0.074","0.054","","","0.085","","","","","3.085","3.085","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2004212","12.131","0.001","6.167","0.0005","16.507","0.002","90","","108.69","0.01","90","","1169.8","0.2","296","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,3-diphenyl-1-propyn-3-ol","","- C15 H12 O -","- C15 H12 O -","- C60 H48 O4 -","4","1","BK1146","Garcia, J. G.; Ramos, B.; Rodriguez, A.; Fronczek, F. R.","1,1-Diphenyl-3-propyn-1-ol","Acta Crystallographica Section C","1995","51","12","2674","2676","10.1107/S0108270195008171","","","1.54184","CuKα","","","0.045","","","0.054","","","","","2.566","2.566","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2004213","9.511","0.001","11.716","0.001","12.138","0.002","67.68","0.02","73.19","0.02","73.45","0.02","1174.1","0.3","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H33 N7 O4 -","- C23 H33 N7 O4 -","- C46 H66 N14 O8 -","2","1","BM1000","Karczmarzyk, Z.; Karolak-Wojciechowska, J.; Pawlowski, M.","8-Benzylamino-7-{2-hydroxy-3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl}theophylline","Acta Crystallographica Section C","1995","51","12","2610","2612","10.1107/S0108270195007207","","","1.54184","CuKα","","","0.0552","","","0.061","","","","","1.98","1.98","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2004214","8.854","0.004","9.832","0.004","27.11","0.008","90","","90","","90","","2360","1.6","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H14 O -","- C15 H14 O -","- C120 H112 O8 -","8","1","BM1013","Judas, N.; Kaitner, B.; Mestrovic, E.","1,3-Diphenylpropan-1-one","Acta Crystallographica Section C","1995","51","12","2656","2658","10.1107/S0108270195008730","","","0.71073","MoKα","","","0.037","","","0.061","","","","","1.21","1.21","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004215","9.504","0.002","15.059","0.003","5.295","0.002","90","","90","","90","","757.8","0.4","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","3-methylphthalic anhydride","","","- C9 H6 O3 -","- C9 H6 O3 -","- C36 H24 O12 -","4","1","BM1019","Bocelli, G.; Cantoni, A.","3-Methylphthalic Anhydride","Acta Crystallographica Section C","1995","51","12","2652","2654","10.1107/S0108270195008869","","","1.54178","CuKα","","0.085","0.0323","","0.0746","0.0433","","","","0.647","0.929","0.929","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004216","6.688","0.001","6.688","0.001","18.479","0.007","90","","90","","120","","715.8","0.3","293","2","293","2","","","","","","","","6","P 63/m c m","-P 6c 2","193","Europium(III) Tris-[dicyanoArgentate(I)]","","","- C12 H12 Ag6 Eu2 N12 O6 -","- C6 H6 Ag3 Eu N6 O3 -","- C12 H12 Ag6 Eu2 N12 O6 -","2","0.0833333","BR1098","Assefa, Z.; Staples, R. J.; Fackler, Jnr, J. P.; Patterson, H. H.; Shankle, G.","Europium(III) Tris[dicyanoargentate(I)] Trihydrate, Eu[Ag(CN)~2~]~3~.3H~2~O","Acta Crystallographica Section C","1995","51","12","2527","2529","10.1107/S0108270195008596","","","0.71073","MoKα","","0.0373","0.0351","","0.0924","0.0899","","","","1.13","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004217","14.3","0.002","6.43","0.001","8.754","0.002","90","","98.36","0.02","90","","796.4","0.3","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cl O8 Pr3 Si2 -","- Cl0.5 O8 Pr2.5 Si2 -","- Cl2 O32 Pr10 Si8 -","4","0.5","BR1101","Guo, G.-C.; Wang, Y.-G.; Zhuang, J.-N.; Chen, J.-T.; Huang, J.-S.; Zhang, Q.-E.","Tripraseodymium Chloride Bis(orthosilicate), Pr~3~(SiO~4~)~2~Cl","Acta Crystallographica Section C","1995","51","12","2471","2473","10.1107/S0108270195008390","","","0.71069","MoKα","","","0.0323","","","0.04","","","","","1.06","1.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004218","7.121","0.004","7.121","0.004","11.4","0.007","90","","90","","120","","500.6","0.5","298","","298","","","","","","","","","4","P 63","P 6c","173","Potassium vanadium selenite","Potassium vanadium selenite","","- K O12 Se2 V3 -","- K O12 Se2 V3 -","- K2 O24 Se4 V6 -","2","0.333333","BR1110","Harrison, W. T. A.; Dussack, L. L.; Jacobson, A. J.","Potassium Vanadium Selenite, K(VO~2~)~3~(SeO~3~)~2~","Acta Crystallographica Section C","1995","51","12","2473","2476","10.1107/S0108270195008407","","","0.71073","MolybdenumKα","","0.035","0.035","","0.027","0.027","","","","1.07","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004219","12.523","0.003","8.583","0.002","15.93","0.003","90","","90.52","0.03","90","","1712.2","0.7","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Diflufenican","Diflufenican,2',4'-difluoro-2-(α,α,α,trifluoro-m-tolyloxy) nicotinanilide.","","- C19 H11 F5 N2 O2 -","- C19 H11 F5 N2 O2 -","- C76 H44 F20 N8 O8 -","4","1","CF1003","Pèpe, G.; Pfefer, G.; Boistelle, R.; Marchal, P.","Diflufenican, <i>N</i>-(2,4-Difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]-3-pyridinecarboxamide","Acta Crystallographica Section C","1995","51","12","2671","2672","10.1107/S010827019500789X","","","1.5418","CuKα","","0.057","0.057","","0.057","0.057","","","","0.84","0.84","0.84","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2004220","17.601","0.011","17.601","0.011","12.235","0.008","90","","90","","90","","3790","4","288","","288","","","","","","","","","5","P 4/n :2","-P 4a","85","","tetrakis(N,N'-diphenylbenzamidinato)dicopper(II) dichloromethane solvate","","- C78 H64 Cl4 Cu2 N8 -","- C78 H60 Cl4 Cu2 N8 -","- C156 H120 Cl8 Cu4 N16 -","2","0.25","CF1005","Halfpenny, J.","Tetrakis(<i>N</i>,<i>N</i>'-diphenylbenzamidinato)dicopper(II) Dichloromethane Solvate","Acta Crystallographica Section C","1995","51","12","2542","2544","10.1107/S0108270195008651","","","0.7107","MoKα","","","0.056","","","0.056","","","","","1.427","1.427","","","","","has coordinates,has disorder","192027","2020-10-21","18:00:00",""
"2004221","18.479","0.004","14.511","0.005","14.389","0.004","90","","90","","90","","3858.4","1.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetracarbonylbis(3-aminopropyl)phenylphosphinemolybdenum(0)","","- C16 H21 Mo N2 O4 P -","- C16 H21 Mo N2 O4 P -","- C128 H168 Mo8 N16 O32 P8 -","8","1","CF1007","Hursthouse, M. B.; Malik, K. M. A.; Beckett, M. A.","[Bis(3-aminopropyl)phenylphosphine-<i>N</i>,<i>P</i>]tetracarbonylmolybdenum(0)","Acta Crystallographica Section C","1995","51","12","2480","2482","10.1107/S0108270195007426","","","0.71069","MoKα","","0.0886","0.0362","","0.1275","0.0858","","","","0.653","0.617","0.617","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004222","12.826","0.0005","16.9115","0.0004","9.0052","0.0003","90","","90","","90","","1953.29","0.11","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","1,1,3,4-tetramethyl-3-(1-methyl-1H-indole-3-yl)-2,2,3,4-tetrahydro-cyclo- penta[b]indole","","- C24 H26 N2 -","- C24 H26 N2 -","- C96 H104 N8 -","4","1","CF1009","Schollmeyer, D.; Fischer, G.; Pindur, U.","Dimeric 3-Vinylindoles as Potential Antitumor Active Compounds: 1,1,3,4-Tetramethyl-3-(1-methyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole and 1,1,3-Trimethyl-4-phenylsulfonyl-3-(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole","Acta Crystallographica Section C","1995","51","12","2572","2575","10.1107/S0108270195007761","","","1.54178","CuKα","","0.0504","0.0494","","0.1383","0.1362","","","","1.031","1.033","1.033","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004223","12.34","0.001","13.766","0.002","17.1648","0.0009","90","","92.258","0.009","90","","2913.6","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1,3-trimethyl-4-benzenesulfonyl-3-(1-benzenesulfonyl-1H-indole-3-yl)- 2,2,3,4-tetrahydro-cyclopenta[b]indole","","- C34 H30 N2 O4 S2 -","- C34 H30 N2 O4 S2 -","- C136 H120 N8 O16 S8 -","4","1","CF1009","Schollmeyer, D.; Fischer, G.; Pindur, U.","Dimeric 3-Vinylindoles as Potential Antitumor Active Compounds: 1,1,3,4-Tetramethyl-3-(1-methyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole and 1,1,3-Trimethyl-4-phenylsulfonyl-3-(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole","Acta Crystallographica Section C","1995","51","12","2572","2575","10.1107/S0108270195007761","","","0.71069","MoKα","","0.129","0.0502","","0.1446","0.1151","","","","1.008","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004224","7.774","0.016","7.973","0.012","8.053","0.017","94.28","0.15","109.45","0.19","105.67","0.13","445.7","1.7","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H4 N2 O2 S2 -","- C7 H4 N2 O2 S2 -","- C14 H8 N4 O4 S4 -","2","1","CF1016","Howie, R. A.; Wardell, J. L.","2-Nitrobenzenesulfenyl Thiocyanate","Acta Crystallographica Section C","1995","51","12","2651","2652","10.1107/S0108270195009474","","","0.71073","MoKα","","","0.07","","","0.071","","","","","1.38","1.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004225","14.04","0.003","5.804","0.001","17.728","0.002","90","","90","","90","","1444.6","0.4","300","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O2 -","- C17 H14 Cl N O2 -","- C68 H56 Cl4 N4 O8 -","4","1","CR1165","Kokila, M. K.; Jain, A.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C.","4-(4-Chloroanilinomethyl)-6-methylcoumarin","Acta Crystallographica Section C","1995","51","12","2585","2586","10.1107/S0108270195006263","","","0.7093","MoKα","","","0.041","","","0.033","","","","","4.41","4.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004226","13.5","0.02","9.24","0.02","11.74","0.02","90","","104.4","0.2","90","","1418","5","20","","20","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","hexaammineruthenium(III)tristhiocyanate","","- C3 D18 N9 Ru S3 -","- C3 H24 N9 Ru S3 -","- C12 H96 N36 Ru4 S12 -","4","1","CR1174","Reynolds, P. A.; Figgis, B. N.; Schultz, A. J.","[Ru(ND~3~)~6~](SCN)~3~ at 20 K by Time-of-Flight Neutron Diffraction","Acta Crystallographica Section C","1995","51","12","2517","2520","10.1107/S0108270195007153","","neutron","","Pulsed_neutron","","0.133","0.133","","0.11","0.11","","","","0.84","0.84","0.84","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004227","11.357","0.004","11.643","0.004","17.638","0.009","98.49","","96.44","","117.36","0.01","2005.2","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H50 Mo N4 O5 S2 -","- C38 H50 Mo N4 O5 S2 -","- C76 H100 Mo2 N8 O10 S4 -","2","1","CR1181","Li-Kao, J.; González, O.; Mariezcurrena, R.; Baggio, R.; Garland, M. T.; Carrillo, D.","A <i>cis</i>-Oxo[diphenylhydrazido(2‒)]molybdenum Complex: (Et~3~NH)~2~[MoO(NNPh~2~)(SC~6~H~4~CO~2~)~2~]","Acta Crystallographica Section C","1995","51","12","2486","2489","10.1107/S0108270195006007","","","0.71073","MoKα","","0.0344","0.0285","","0.0744","0.0702","","","","1.054","1.065","1.065","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004228","18.171","0.004","7.157","0.001","26.165","0.005","90","","90.2","0.03","90","","3402.7","1.1","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Dimethyl-3,5-dimethoxycarbonyl-4-(2-nitrosophenyl)pyridine","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C136 H128 N16 O40 -","8","2","CR1185","Rowan, K. R.; Holt, E. M.","3,5-Dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrosophenyl)pyridine and Dichlorobis[3,5-dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)pyridine]copper(II)","Acta Crystallographica Section C","1995","51","12","2554","2559","10.1107/S0108270195005828","","","0.71073","MoKα","","0.2602","0.063","","0.158","0.1","","","","0.694","1.136","1.136","","","","","has coordinates","198484","2020-10-21","18:00:00",""
"2004229","13.184","0.003","7.768","0.002","17.736","0.004","90","","91.5","0.03","90","","1815.8","0.7","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[2,6-dimethyl-3,5-dimethoxycarbonyl-4- (2-nitrophenyl)pyridine]dichlorocopper(II)","","- C34 H32 Cl2 Cu N4 O12 -","- C34 H32 Cl2 Cu N4 O12 -","- C68 H64 Cl4 Cu2 N8 O24 -","2","0.5","CR1185","Rowan, K. R.; Holt, E. M.","3,5-Dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrosophenyl)pyridine and Dichlorobis[3,5-dimethoxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)pyridine]copper(II)","Acta Crystallographica Section C","1995","51","12","2554","2559","10.1107/S0108270195005828","","","0.71073","MoKα","","0.122","0.058","","0.1162","0.071","","","","","1.7","1.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004230","8.884","0.003","26.179","0.002","7.286","0.002","90","","90","","90","","1694.5","0.7","295","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","CR1190","Stomberg, R.; Li, S.; Lundquist, K.","(<i>Z</i>)-2,3-Bis(3,4-dimethoxyphenyl)propenoic Acid","Acta Crystallographica Section C","1995","51","12","2698","2700","10.1107/S0108270195009140","","","0.71073","MoKα","","","0.034","","","0.041","","","","","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004231","11.274","0.002","14.2626","0.0009","12.375","0.001","90","0.006","114.56","0.01","90","0.008","1809.8","0.4","293","","293","","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","fac-tricarbonylrheniumbis[μ-methylaminobis(difluorophosphine)]triphenyl phosphineplatinum(Re-Pt) trifluoromethanesulfonate","","- C24 H21 F11 N2 O6 P5 Pt Re S -","- C24 H21 F11 N2 O6 P5 Pt Re S -","- C48 H42 F22 N4 O12 P10 Pt2 Re2 S2 -","2","0.5","CR1192","Mague, J. T.; Lin, Z.","A Cationic Rhenium‒Platinum Complex: <i>fac</i>-Tricarbonylrhenium-bis[μ-methylaminobis(difluorophosphine)]-triphenylphosphineplatinum Trifluoromethanesulfonate","Acta Crystallographica Section C","1995","51","12","2508","2510","10.1107/S0108270195006470","","","0.71073","Mo-Kα","","0.046","0.028","","","0.039","","","","","1.327","1.327","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2004232","9.715","0.002","5.659","0.002","22.763","0.005","90","","100.1","0.01","90","","1232.1","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 Br N O4 -","- C11 H12 Br N O4 -","- C44 H48 Br4 N4 O16 -","4","1","CR1193","Rath, N. P.; Boehlow, T. R.; Spilling, C. D.","Ethyl 3-(3-Bromo-4-hydroxyphenyl)-2(<i>E</i>)-(hydroxyimino)propanoate","Acta Crystallographica Section C","1995","51","12","2654","2656","10.1107/S0108270195007335","","","0.71073","MoKα","","0.1553","0.0613","","0.1189","0.092","","","","0.97","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004233","11.914","0.002","17.96","0.002","11.997","0.002","90","","106.67","0.01","90","","2459.2","0.7","294","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 Cu6 N12 O2 S6 -","- C36 H42 Cu6 N12 O2 S6 -","- C72 H84 Cu12 N24 O4 S12 -","2","0.5","DE1000","Seth, S.; Das, A. K.; Mak, T. C. W.","Distant Copper‒Copper Interactions in a Metal-Organic Compound in the Solid State: Hexakis[(μ~3~-4,6-dimethylpyrimidine-2-thiolato-<i>N</i>:<i>S</i>:<i>S</i>)copper(I)] Dihydrate","Acta Crystallographica Section C","1995","51","12","2529","2532","10.1107/S0108270195005737","","","0.71073","MoKα","","","0.041","","","0.037","","","","","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004234","10.613","0.003","14.271","0.002","15.172","0.003","90","0.03","90","0.02","90","0.03","2297.9","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Anomolin","8,8-dimethyl-9,10-di(2-methylbut-2-enoyloxy)-9,10-dihydropyrano [2,3-h] -[2H]-[1]-benzopyran-2-one","","- C24 H26 O7 -","- C24 H26 O7 -","- C96 H104 O28 -","4","1","DE1002","Padha, N.; Goswami, K. N.; Yadava, V. S.; Nethaji, M.","Anomalin. A Dihydropyranocoumarin Derivative from the Plant <i>Lingusticum elatum</i>","Acta Crystallographica Section C","1995","51","12","2710","2712","10.1107/S0108270195008341","","","0.7107","MoKα","","0.1964","0.0659","","0.2862","0.1638","","","","1.043","1.235","1.235","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004235","9.238","0.001","10.959","0.001","15.168","0.001","90","","90.64","0.01","90","","1535.5","0.2","293","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","DE1003","Magotra, D. K.; Gupta, V. K.; Rajnikant; Goswami, K. N.; Gupta, B. D.","5-Acetoxy-6-(1,1-dimethyl-2-propenyl)-2<i>H</i>-furo[2,3-<i>h</i>][1]benzopyran-2-one","Acta Crystallographica Section C","1995","51","12","2637","2639","10.1107/S0108270195008353","","","0.71073","MoKα","","","0.042","","","0.11","","","","","0.899","0.899","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004236","10.8234","0.0009","10.3459","0.0008","14.381","0.002","90","","63.025","0.009","90","","1435.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethylammonium Pentachlorobismuthate(III)","","- C4 H16 Bi Cl5 N2 -","- C4 H16 Bi Cl5 N2 -","- C16 H64 Bi4 Cl20 N8 -","4","1","DU1124","Jarraya, S.; Ben Hassen, R.; Daoud, A.; Jouini, T.","Dimethylammonium Pentachlorobismuthate(III)","Acta Crystallographica Section C","1995","51","12","2537","2538","10.1107/S010827019500758X","","","0.71069","MoKα","","0.0594","0.0382","","0.0706","0.0668","","","","1.306","1.394","1.394","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004237","4.945","0.002","4.945","0.002","36.78","0.01","90","1","90","1","120","1.3","779","10","293","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ce2 Ni5 Zn2 -","- Ce2 Ni5 Zn2 -","- Ce12 Ni30 Zn12 -","6","0.166667","DU1126","Pavlyuk, V. V.; Opainych, I. M.; Bodak, O. I.; Černý, R.; Yvon, K.","Rhombohedral Ce~2~Ni~5~Zn~2~ and Hexagonal CeNi~2~Zn: the First Ternary Compounds from the Ce‒Ni‒Zn System","Acta Crystallographica Section C","1995","51","12","2464","2466","10.1107/S010827019500655X","","","0.71073","MoKα","","0.064","0.055","","0.052","0.05","","","","1.684","1.785","1.785","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004238","5.045","0.003","5.045","0.003","16.434","0.007","90","","90","","120","","362.2","0.3","293","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ce Ni2 Zn -","- Ce Ni2 Zn -","- Ce6 Ni12 Zn6 -","6","0.25","DU1126","Pavlyuk, V. V.; Opainych, I. M.; Bodak, O. I.; Černý, R.; Yvon, K.","Rhombohedral Ce~2~Ni~5~Zn~2~ and Hexagonal CeNi~2~Zn: the First Ternary Compounds from the Ce‒Ni‒Zn System","Acta Crystallographica Section C","1995","51","12","2464","2466","10.1107/S010827019500655X","","","0.71073","MoKα","","0.085","0.066","","0.034","0.034","","","","2.711","2.512","2.512","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004239","7.179","0.002","8.354","0.002","14.455","0.004","90","","93.8","0.02","90","","865","0.4","294","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Al3 Fe2 Si3 -","- Al3 Fe2 Si3 -","- Al24 Fe16 Si24 -","8","2","DU1127","Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N.","Fe~2~Al~3~Si~3~","Acta Crystallographica Section C","1995","51","12","2461","2464","10.1107/S0108270195007864","","","0.71073","MoKα","","","0.017","","","0.0218","","","","","0.64","0.64","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004240","9.197","0.004","3.1228","0.0009","12.303","0.004","90","","104.26","0.03","90","","342.5","0.4","293","","","","","","","","","","Synthetic","3","P 1 21/c 1","-P 2ybc","14","","","Suanite","- B2 Mg2 O5 -","- B2 Mg2 O5 -","- B8 Mg8 O20 -","4","1","","Guo, Guo-Cong; Cheng, Wen-Dan; Chen, Jiu-Tong; Zhuang, Hong-Hui; Huang, Jin-Shun; Zhang, Qian-Er","Monoclinic Mg~2~B~2~O~5~","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","12","2469","2471","10.1107/s0108270195008298","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2004241","7.9572","0.0016","15.7497","0.0012","8.505","0.0015","90","","110.2","0.02","90","","1000.3","0.3","290","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 N4 O -","- C9 H12 N4 O -","- C36 H48 N16 O4 -","4","1","FG1045","Bullerwell, W. L.; MacGillivray, L. R.; Zaworotko, M. J.; Vaughan, K.; Wilman, D. E. V.","1-(<i>p</i>-Carbamoylphenyl)-3,3-dimethyltriazene, an Antitumour Agent","Acta Crystallographica Section C","1995","51","12","2624","2627","10.1107/S0108270195008419","","","0.710939","MoKα","","","0.061","","","0.05","","","","","3.43","3.43","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2004242","6.531","0.006","11.659","0.002","32.198","0.007","90","","90","","90","","2452","2","294","","294","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","η-Cyclopentadienyl-oxoperoxo(trimethylsilylmethyl)tungsten","","- C9 H16 O3 Si W -","- C9 H16 O3 Si W -","- C72 H128 O24 Si8 W8 -","8","1","FG1059","Legzdins, P.; Phillips, E. C.; Trotter, J.; Yee, V. C.","(η^5^-Cyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten and the Related (η^5^-Pentamethylcyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten-Tetracyanoethylene (2/1) Complex","Acta Crystallographica Section C","1995","51","12","2498","2501","10.1107/S0108270195004951","","","0.7093","MolybdenumKα~1~","","","0.084","","","0.114","","","","","4.1","4.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004243","19.326","0.002","9.831","0.001","23.485","0.006","90","","107.25","0.01","90","","4261.3","1.3","294","","294","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","η-Pentamethylcyclopentadienyl-oxoperoxo- (trimethylsilylmethyl)tungsten - tetracyanoethylene","","- C34 H52 N4 O6 Si2 W2 -","- C36 H52 N4 O6 Si2 W2 -","- C144 H208 N16 O24 Si8 W8 -","4","0.5","FG1059","Legzdins, P.; Phillips, E. C.; Trotter, J.; Yee, V. C.","(η^5^-Cyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten and the Related (η^5^-Pentamethylcyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten-Tetracyanoethylene (2/1) Complex","Acta Crystallographica Section C","1995","51","12","2498","2501","10.1107/S0108270195004951","","","0.7093","MolybdenumKα~1~","","","0.04","","","0.051","","","","","1.65","1.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004244","5.415","0.002","11.618","0.005","15.558","0.009","90","","90","","90","","978.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Gylcyl-L-Glutamine monohydrate","","- C7 H15 N3 O5 -","- C7 H15 N3 O5 -","- C28 H60 N12 O20 -","4","1","FG1069","Panneerselvam, K.; Soriano-García, M.","<small>L</small>-Glycyl-<small>L</small>-Glutamine Monohydrate","Acta Crystallographica Section C","1995","51","12","2718","2720","10.1107/S0108270195009218","","","1.54178","CuKα","","0.0341","0.034","","0.09","0.0898","","","","1.05","1.052","1.052","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004245","8.106","0.001","14.788","0.001","7.866","0.001","100.93","0.01","103.28","0.01","90.86","0.01","899.35","0.18","294","","294","","","","","","","","","4","P -1","-P 1","2","","Dimethyl 1,8-dichloro-9,10-dihydro-9,10- ethenoanthracene-11,12-dicarboxylate","","- C20 H14 Cl2 O4 -","- C20 H14 Cl2 O4 -","- C40 H28 Cl4 O8 -","2","1","FG1082","Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.","Photochemistry of Dimethyl 1,8-Dichloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1995","51","12","2685","2687","10.1107/S0108270195007943","","","1.54178","CuKα","","","0.036","","","0.052","","","","","3.96","3.96","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004246","9.756","0.001","10.556","0.001","8.83","0.001","107.22","0.01","105.31","0.01","95.4","0.01","822.99","0.17","294","","294","","","","","","","","","4","P -1","-P 1","2","","Dimethyl 1-chloro-4b,8b,8c,8d-tetrahydrodibenzo[a,f] cyclopropa[cd]pentalene-8c,8d-dicarboxylate","","- C20 H15 Cl O4 -","- C20 H15 Cl O4 -","- C40 H30 Cl2 O8 -","2","1","FG1085","Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.","Dimethyl 1-Chloro-4b,8b,8c,8d-tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8c,8d-dicarboxylate","Acta Crystallographica Section C","1995","51","12","2690","2691","10.1107/S0108270195008237","","","1.54178","CuKα","","","0.035","","","0.046","","","","","4.2","4.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004247","10.718","0.001","13.05","0.001","5.5074","0.0004","90.27","0.01","104.32","0.01","109.86","0.01","698.66","0.12","294","","294","","","","","","","","","3","P -1","-P 1","2","","3,3,18,18-Tetramethyl-1,5,16,20-tetraoxadispiro[5,8,5,8] octacosane OR 5,5-Dimethyl-1,3-dioxacyclohexan-2-spiro-1'-cyclooctadecan- 10'-spiro-2""-5"",5""-dimethyl-1"",3""-dioxacyclohexane OR Dispiro[5,5-dimethyl-1,3-dioxacyclohexane-2,1'-cyclooctadecan- 10',2""-5"",5""-dimethyl-1"",3""-dioxacyclohexane]","","- C28 H52 O4 -","- C28 H52 O4 -","- C28 H52 O4 -","1","0.5","FG1091","Lewis, T. J.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.","3,3,18,18-Tetramethyl-1,5,16,20-tetraoxadispiro[5.8.5.8]octacosane","Acta Crystallographica Section C","1995","51","12","2688","2690","10.1107/S0108270195008201","","","1.54178","CuKα","","","0.042","","","0.056","","","","","2.9","2.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004248","9.92","0.0007","11.2088","0.0008","11.7547","0.0006","90","","96.931","0.005","90","","1297.47","0.15","294.2","","294","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26,27,29-hexaene-6,19-dione","","- C30 H40 O2 -","- C30 H40 O2 -","- C60 H80 O4 -","2","0.5","FG1093","Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J.","Tricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26,27,29-hexaene-6,19-dione","Acta Crystallographica Section C","1995","51","12","2687","2688","10.1107/S0108270195008663","","","1.54178","CuKα","","0.0904","0.0384","","0.0397","0.0366","","","","","2.339","2.339","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004249","12.452","0.002","16.182","0.002","8.118","0.002","90","","90.68","0.02","90","","1635.6","0.5","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 4b,8b,8c,8d-tetrahydrodibenzo[a,f] cyclopropa[cd]pentalene-8b-carboxylate-8c- thionocarboxylate","","- C20 H16 O3 S -","- C20 H16 O3 S -","- C80 H64 O12 S4 -","4","1","FG1099","Jones, R.; Rattray, A. G. M.; Scheffer, J. R.; Trotter, J.","Dimethyl 4b,8b,8c,8d-Tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b-carboxylate-8c-thionocarboxylate and the Corresponding 8c-Thiolocarboxylate","Acta Crystallographica Section C","1995","51","12","2691","2694","10.1107/S0108270195009012","","","0.71069","MoKα","","","0.048","","","0.055","","","","","3","3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004250","7.911","0.001","14.457","0.001","14.813","0.001","90","","90.9","0.01","90","","1693.9","0.3","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 4b,8b,8c,8d-tetrahydrodibenzo[a,f] cyclopropa[cd]pentalene-8b-carboxylate-8c- thiolocarboxylate","","- C20 H16 O3 S -","- C20 H16 O3 S -","- C80 H64 O12 S4 -","4","1","FG1099","Jones, R.; Rattray, A. G. M.; Scheffer, J. R.; Trotter, J.","Dimethyl 4b,8b,8c,8d-Tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b-carboxylate-8c-thionocarboxylate and the Corresponding 8c-Thiolocarboxylate","Acta Crystallographica Section C","1995","51","12","2691","2694","10.1107/S0108270195009012","","","1.54178","CuKα","","","0.042","","","0.064","","","","","2.8","2.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004251","15.225","0.004","8.652","0.003","9.306","0.002","90","","90","","90","","1225.8","0.6","296.2","","296.2","","","","","","","","","4","P n a 21","P 2c -2n","33","","(2,3-benzobicyclo[2.2.1]hepta-2,5-diene)tricarbonylchromium","","- C14 H10 Cr O3 -","- C14 H10 Cr O3 -","- C56 H40 Cr4 O12 -","4","1","FG1100","Blake, J. L.; Cook, D. J.; Squattrito, P. J.; Howell, B. A.","<i>exo</i>-π-(Benzonorbornadiene)tricarbonylchromium","Acta Crystallographica Section C","1995","51","12","2565","2567","10.1107/S0108270195008432","","","0.7107","MoKα","","0.0755","0.0328","","0.0331","0.0287","","","","","1.579","1.579","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004252","11.13","0.001","13.157","0.007","23.077","0.002","90","","95.68","0.01","90","","3362.7","1.8","239","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","","","","","- C72 H84 Li2 O9 Sn3 -","- C74 H70 Li2 O7 Sn3 -","- C148 H140 Li4 O14 Sn6 -","2","0.5","HU1067","Smith, G. D.; Fanwick, P. E.; Rothwell, I. P.","A Trigonal Prismatic Cluster Compound of Tin and Lithium: Structure of [{Sn(OCMe~2~C~6~H~4~)~2~}~3~Li~2~O].2HOCMe~2~Ph","Acta Crystallographica Section C","1995","51","12","2501","2503","10.1107/S0108270193012302","","","0.71073","MoKα","","","0.033","","","0.042","","","","","1.244","1.244","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004253","6.886","0.003","7.106","0.003","10.591","0.004","75.23","0.04","84.72","0.03","69.46","0.03","469.3","0.4","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H7 N O3 -","- C12 H7 N O3 -","- C24 H14 N2 O6 -","2","1","HU1087","Chaloner, P. A.; Hitchcock, P. B.; Sutton, P. G.","3-Nitrodibenzofuran and 3-Iododibenzofuran","Acta Crystallographica Section C","1995","51","12","2680","2683","10.1107/S0108270194013338","","","0.71069","MoKα","","","0.047","","","0.056","","","","","1.8","1.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004254","6.245","0.002","13.399","0.005","11.899","0.003","90","","98.14","0.03","90","","985.6","0.5","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 I O -","- C12 H7 I O -","- C48 H28 I4 O4 -","4","1","HU1087","Chaloner, P. A.; Hitchcock, P. B.; Sutton, P. G.","3-Nitrodibenzofuran and 3-Iododibenzofuran","Acta Crystallographica Section C","1995","51","12","2680","2683","10.1107/S0108270194013338","","","0.71069","MoKα","","","0.03","","","0.038","","","","","1.2","1.2","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2004255","15.922","0.006","9.591","0.004","23.019","0.009","90","","102.34","0.03","90","","3434","2","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H46 I O9 P -","- C33 H46 I O9 P -","- C132 H184 I4 O36 P4 -","4","1","HU1104","Chaloner, P. A.; Harrison, R. M.; Hitchcock, P. B.","Hexyltris(2,4,6-trimethoxyphenyl)phosphonium Iodide","Acta Crystallographica Section C","1995","51","12","2683","2685","10.1107/S0108270194013363","","","0.71069","MoKα","","","0.041","","","0.049","","","","","1.6","1.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004256","9.344","0.002","6.509","0.002","12.764","0.003","90","","108.53","0.02","90","","736.1","0.3","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,5-Dichlorocyclotetra(azathiene)","","- Cl2 N4 S4 -","- Cl2 N4 S4 -","- Cl8 N16 S16 -","4","1","HU1126","Žák, Z.; Ružička, A.","Redetermination of 1,5-Dichlorocyclotetra(azathiene) at 120 K","Acta Crystallographica Section C","1995","51","12","2478","2479","10.1107/S010827019500744X","","","0.71073","MoKα","","0.036","0.0253","","0.074","0.0696","","","","1.053","1.105","1.105","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004257","7.813","0.002","12.708","0.003","9.392","0.002","90","","101.14","0.02","90","","914.9","0.4","24","","24","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N2 O6 -","- C8 H6 N2 O6 -","- C32 H24 N8 O24 -","4","1","HU1148","Cristiano, M. L. S.; Johnstone, R. A. W.; Pratt, M. J.","3-Hydroxy-2,6-dinitroacetophenone: an Unusual Substitution Pattern Resulting from Nitration of 3-Hydroxyacetophenone","Acta Crystallographica Section C","1995","51","12","2581","2583","10.1107/S0108270195007451","","","0.7107","MoKα","","","0.0656","","","0.0766","","","","","2.982","2.982","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004258","13.372","0.001","15.427","0.002","16.627","0.006","104.79","0.02","77.32","0.02","104.4","0.01","3167.3","1.3","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H35 Cu N P S5 -","- C29 H35 Cu N P S5 -","- C116 H140 Cu4 N4 P4 S20 -","4","2","JZ1010","Sheng, T.; Li, H.; Huang, Q.; Wu, X.","Tetraethylammonium (2-Thioxo-1,3-dithiole-4,5-dithiolato-<i>S</i>^4^,<i>S</i>^5^)triphenylphosphinecopper(I)","Acta Crystallographica Section C","1995","51","12","2524","2526","10.1107/S0108270195002885","","","0.71073","MoKα","","","0.069","","","0.089","","","","","1.58","1.58","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2004259","9.313","0.001","19.202","0.003","22.33","0.003","90","","90","","90","","3993.2","0.9","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H24 N2 Ni O2 -","- C23 H23 N2 Ni O2 -","- C184 H184 N16 Ni8 O16 -","8","1","JZ1023","Elmali, A.; Atakol, O.; Svoboda, I.; Fuess, H.","{1-[(2-Hydroxybenzylidene)aminomethyl]-naphthalen-2-olato(2‒)-<i>N</i>,<i>O</i>,<i>O</i>'}(piperidine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1995","51","12","2520","2522","10.1107/S0108270195007025","","","0.71093","MoKα","","0.1333","0.0377","","0.1202","0.0886","","","","0.998","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004260","12.658","0.001","14.186","0.002","9.527","0.001","90","","90","","90","","1710.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","[2(E)-1-amino-3-dimethylamino-3-phenylpropen-1-ylidene]pentacarbonyl","","- C16 H14 Cr N2 O5 -","- C16 H14 Cr N2 O5 -","- C64 H56 Cr4 N8 O20 -","4","1","JZ1049","Pohl, E.; Kneisel, B. O.; Herbst-Irmer, R.; de Meijere, A.; Funke, F.; Stein, F.","Three α,β-Unsaturated (Carbene)pentacarbonylchromium Complexes","Acta Crystallographica Section C","1995","51","12","2503","2508","10.1107/S0108270195006160","","","0.71073","MoKα","","0.0639","0.0405","","0.1055","0.092","","","","1.033","1.044","1.044","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004261","10.834","0.002","11.745","0.002","12.222","0.002","108.09","0.02","98.22","0.02","100.11","0.02","1422.6","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","[2(E)-3-dibenzylamino-1-ethoxy-6,6-dimethylhept-2-ene-4-in-ylidene]","","- C30 H29 Cr N O6 -","- C30 H29 Cr N O6 -","- C60 H58 Cr2 N2 O12 -","2","1","JZ1049","Pohl, E.; Kneisel, B. O.; Herbst-Irmer, R.; de Meijere, A.; Funke, F.; Stein, F.","Three α,β-Unsaturated (Carbene)pentacarbonylchromium Complexes","Acta Crystallographica Section C","1995","51","12","2503","2508","10.1107/S0108270195006160","","","0.71073","MoKα","","0.0358","0.0319","","0.0853","0.0825","","","","1.042","1.062","1.062","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004262","9.95","0.001","18.856","0.004","12.522","0.002","90","","94.3","0.01","90","","2342.7","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2-oxa-cyclo-pentenylidene)pentacarbonylchromium","","- C25 H21 Cr N O6 -","- C25 H21 Cr N O6 -","- C100 H84 Cr4 N4 O24 -","4","1","JZ1049","Pohl, E.; Kneisel, B. O.; Herbst-Irmer, R.; de Meijere, A.; Funke, F.; Stein, F.","Three α,β-Unsaturated (Carbene)pentacarbonylchromium Complexes","Acta Crystallographica Section C","1995","51","12","2503","2508","10.1107/S0108270195006160","","","0.71073","MoKα","","0.0705","0.0428","","0.1124","0.0897","","","","1.074","1.024","1.024","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004263","10.6502","0.0009","11.0148","0.0004","12.0539","0.0011","97.511","0.006","112.647","0.007","102.092","0.005","1240.56","0.18","298","2","298","","","","","","","","","5","P -1","-P 1","2","","Bis(β-carboxymethylethyl)bis(quinolin-8-olato)tin","","- C26 H26 N2 O6 Sn -","- C26 H26 N2 O6 Sn -","- C52 H52 N4 O12 Sn2 -","2","1","JZ1055","Ng, S. W.; Kumar Das, V. G.","Bis(2-methoxycarbonylethyl)bis(quinolin-8-olato-<i>N</i>,<i>O</i>)tin","Acta Crystallographica Section C","1995","51","12","2492","2494","10.1107/S0108270195007347","","","0.71073","MoKα","","0.04","0.031","","0.0784","0.074","","","","1.068","1.089","1.089","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004264","13.2","0.003","15.0884","0.0013","16.57","0.005","90","","105.869","0.01","90","","3174.4","1.2","298","2","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","bromotriphenyltin.triphenylphosphine oxide","","- C36 H30 Br O P Sn -","- C36 H30 Br O P Sn -","- C144 H120 Br4 O4 P4 Sn4 -","4","1","JZ1056","Ng, S. W.","Bromotriphenyltin‒Triphenylphosphine Oxide (1/1)","Acta Crystallographica Section C","1995","51","12","2563","2565","10.1107/S0108270195007359","","","0.71073","MoKα","","0.0607","0.044","","0.1139","0.1034","","","","1.055","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004265","17.194","0.008","12.293","0.004","18.938","0.009","90","","138.54","0.03","90","","2650","3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl2 F6 N4 O6 Pd2 -","- C20 H16 Cl2 F6 N4 O6 Pd2 -","- C80 H64 Cl8 F24 N16 O24 Pd8 -","4","1","JZ1060","Mossi, W.; Klaus, A. J.; Rys, P.; Currao, A.; Nesper, R.","Bis(μ-trifluoroacetato-<i>O</i>,<i>O</i>')bis{[3-chloro-6-methyl-2-(<i>N</i>-methyl-<i>N</i>-nitrosoamino)phenyl-<i>C</i>,<i>N</i>^N=O^]palladium(II)}","Acta Crystallographica Section C","1995","51","12","2549","2551","10.1107/S0108270195008559","","","0.71073","MoKα","","0.1099","0.0593","","0.1541","0.1191","","","","1.129","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004266","14.615","0.003","14.625","0.003","10.33","0.002","90","","107.67","0.02","90","","2103.8","0.8","112","2","112","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","The Muscarinic Antagonist, 8,8-Dimethyl-3',3'-Diphenyl-spiro[8- azoniabicyclo[3.2.1]octane-3,2'-[1,3]-dioxolane]-4'-one iodide (BVT44Me).","","- C23 H26 I N O3 -","- C23 H26 I N O3 -","- C92 H104 I4 N4 O12 -","4","1","JZ1064","Frydenvang, K.; Castiglione, M.","Muscarinic Antagonist: 8,8-Dimethyl-3',3'-diphenylspiro(8-azoniabicyclo[3.2.1]octane-3,2'-1',3'-dioxolane)-4'-one Iodide","Acta Crystallographica Section C","1995","51","12","2644","2647","10.1107/S0108270195008973","","","1.5418","CuKα","","0.0369","0.0322","","0.0849","0.0811","","","","1.057","1.067","1.067","","","","","has coordinates,has Fobs","288352","2023-12-15","18:37:27",""
"2004267","6.477","0.001","8.386","0.002","9.448","0.001","82.09","0.02","69.62","0.02","82.36","0.02","474.48","0.16","128","5","128","5","","","","","","","","6","P -1","-P 1","2","","Pentacarbonyl(difluoromethyl isocyanide)chromium","","- C7 H Cr F2 N O5 -","- C7 H Cr F2 N O5 -","- C14 H2 Cr2 F4 N2 O10 -","2","1","KA1080","Lentz, D.; Preugschat, D.","Pentacarbonyl(difluoromethyl isocyanide)chromium at 128 K","Acta Crystallographica Section C","1995","51","12","2482","2484","10.1107/S0108270195006536","","","0.71069","MoKα","","0.036","0.0334","","0.106","0.0971","","","","1.091","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004268","12.017","0.001","12.017","0.001","32.942","0.002","90","","90","","120","","4119.8","0.5","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C24 H40 Co N5 O4 -","- C24 H40 Co N5 O4 -","- C144 H240 Co6 N30 O24 -","6","1","KA1115","Giese, B.; Hartung, J.; Lindner, H.-J.; Svoboda, I.; Paulus, H.","The Helical Packing of a Chiral Alkyl Cobaloxime in the Solid State","Acta Crystallographica Section C","1995","51","12","2522","2524","10.1107/S0108270195007189","","","0.71069","MoKα","","0.0674","0.0471","","0.1665","0.1283","","","","1.093","0.941","0.941","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004269","10.64","0.003","10.618","0.004","5.976","0.002","90","","102.86","0.02","90","","658.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cis-1,5-diamino-2,4,6,8-tetraazabicyclo[3.3.0]octan3,7-dione","","- C4 H8 N6 O2 -","- C4 H8 N6 O2 -","- C16 H32 N24 O8 -","4","1","KA1136","Modric, N.; Poje, M.; Vickovic, I.","<i>cis</i>-1,5-Diamino-2,4,6,8-tetraazabicyclo[3.3.0]octane-3,7-dione","Acta Crystallographica Section C","1995","51","12","2594","2595","10.1107/S0108270195008122","","","1.54178","CuKα","","0.042","0.042","","0.1207","0.1207","","","","1.289","1.291","1.291","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004270","9.305","0.003","25.934","0.004","9.937","0.001","90","","99.02","0.01","90","","2368.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-methyl-1,1,4-triphenyl-1,2-dihydronaphthalene-2,3-dicarboximide","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C124 H92 N4 O8 -","4","1","KA1138","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","<i>N</i>-Methyl-1,1,4-triphenyl-1,2-dihydronaphthalene-2,3-dicarboximide","Acta Crystallographica Section C","1995","51","12","2722","2723","10.1107/S0108270195009292","","","0.7107","MoKα","","0.089","0.059","","0.1784","0.1562","","","","0.985","1.058","1.058","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004271","8.83","0.001","11.658","0.002","11.492","0.002","90","","104.25","0.01","90","","1146.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","xanthyletin","8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","KA1139","Rudiño-Piñera, E.; Juárez-Martínez, G.; Panneerselvam, K.; Soriano-García, M.; Anaya, A. L.; García-Santana, C.; Mata, R.; Sánchez, P.","Xanthyletin","Acta Crystallographica Section C","1995","51","12","2720","2722","10.1107/S0108270195009309","","","1.54178","CuKα","","0.0501","0.044","","0.1259","0.1199","","","","1.129","1.172","1.172","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004272","8.863","0.001","13.429","0.001","15.791","0.001","90","","90","","90","","1879.5","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.041","","","0.045","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004273","8.363","0.001","10.453","0.001","12.27","0.001","90","","94.91","0.01","90","","1068.69","0.19","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C48 H54 N2 O8 -","2","1","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.034","","","0.037","","","","","1.42","1.42","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004274","8.712","0.001","12.848","0.002","17.971","0.002","90","","90.39","0.01","90","","2011.5","0.4","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H31 N O4 -","- C19 H31 N O4 -","- C76 H124 N4 O16 -","4","2","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.051","","","0.053","","","","","1.402","1.402","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004275","8.228","0.001","15.31","0.002","17.027","0.001","90","","90","","90","","2144.9","0.4","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 Cl N2 O3 -","- C19 H31 Cl N2 O4 -","- C76 H124 Cl4 N8 O16 -","4","1","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.055","","","0.053","","","","","1.361","1.361","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004276","8.039","0.001","11.097","0.001","8.498","0.001","90","","98.92","0.01","90","","748.93","0.15","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C32 H42 N2 O8 -","2","1","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.027","","","0.033","","","","","1.37","1.37","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004277","8.512","0.001","9.375","0.001","10.607","0.001","90","","105.49","0.01","90","","815.69","0.16","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C32 H42 N2 O8 -","2","1","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.046","","","0.042","","","","","1.37","1.37","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004278","16.578","0.003","10.193","0.008","31.574","0.004","90","","100.92","0.01","90","","5239","4","296","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H66 Cr O6 P3 S6 -","- C36 H66 Cr O6 P3 S6 -","- C144 H264 Cr4 O24 P12 S24 -","4","1","KH1031","Xiong, R.-G.; You, X.-Z.; Huang, X.-Y.","Tris(<i>O</i>,<i>O</i>'-dicyclohexyl dithiophosphato-<i>S</i>,<i>S</i>')chromium(III)","Acta Crystallographica Section C","1995","51","12","2484","2486","10.1107/S0108270195007323","","","0.71069","MoKα","","","0.061","","","0.072","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004279","20.934","0.004","7.636","0.0004","12.966","0.002","90","","100.25","0.008","90","","2039.6","0.5","293","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N4 O8 -","- C20 H18 N4 O8 -","- C80 H72 N16 O32 -","4","0.5","KH1032","Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L.","Molecular Co-Crystals of Carboxylic Acids. 22. The Adducts of Pyrazine-2,3-dicarboxylic Acid with 2-Aminobenzoic Acid (1:2) and 3-Aminobenzoic Acid (1:1 Dihydrate)","Acta Crystallographica Section C","1995","51","12","2629","2633","10.1107/S0108270195008092","","","0.71073","MoKα","","","0.033","","","0.097","","","","","0.62","0.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004280","7.892","0.001","9.49","0.002","10.115","0.002","91.83","0.001","91.46","0.001","100.35","0.002","744.5","0.2","298","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N3 O8 -","- C13 H15 N3 O8 -","- C26 H30 N6 O16 -","2","1","KH1032","Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L.","Molecular Co-Crystals of Carboxylic Acids. 22. The Adducts of Pyrazine-2,3-dicarboxylic Acid with 2-Aminobenzoic Acid (1:2) and 3-Aminobenzoic Acid (1:1 Dihydrate)","Acta Crystallographica Section C","1995","51","12","2629","2633","10.1107/S0108270195008092","","","0.71073","MoKα","","","0.046","","","0.119","","","","","1","1","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2004281","5.558","0.001","5.7557","0.0008","15.656","0.002","90","","92.61","0.01","90","","500.32","0.13","295","","295","","","","","","","","","4","P 1 c 1","P -2yc","7","","(E)-3-[(Methoxycarbonyl)methylene]-1,6-dimethyl-2,6-diazabicyclo [2.2.0]hexan-5-one","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C18 H24 N4 O6 -","2","1","KH1034","Kakuda, H.; Takahashi, Y.; Hirokami, S.-i.","(<i>E</i>)- and (<i>Z</i>)-Enamine Dewar Pyrimidinones","Acta Crystallographica Section C","1995","51","12","2647","2650","10.1107/S0108270195005841","","","0.7107","MoKα","","","0.035","","","0.049","","","","","1.2","1.2","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2004282","9.076","0.004","9.925","0.003","11.833","0.003","90","","109.61","0.02","90","","1004.1","0.6","294","","294","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Z)-3-[(Methoxycarbonyl)methylene]-1,6-dimethyl-2,6-diazabicyclo [2.2.0]hexan-5-one","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C36 H48 N8 O12 -","4","1","KH1034","Kakuda, H.; Takahashi, Y.; Hirokami, S.-i.","(<i>E</i>)- and (<i>Z</i>)-Enamine Dewar Pyrimidinones","Acta Crystallographica Section C","1995","51","12","2647","2650","10.1107/S0108270195005841","","","0.7107","MoKα","","","0.037","","","0.057","","","","","1.39","1.39","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2004283","12.16","0.005","12.482","0.005","14.755","0.005","68.172","0.005","80.307","0.005","61.792","0.005","1832","1.2","100","","100","","","","","","","","","4","P 1","P 1","1","","1,1,4,4-Tetraphenyl-1,3-butadiene-lithium-tris(dimethoxyethane)","","- C40 H52 Li O6 -","- C40 H52 Li O6 -","- C80 H104 Li2 O12 -","2","2","KH1040","Näther, C.; Bock, H.; Bolte, M.","Tris(1,2-dimethoxyethane)lithium 1,1,4,4-Tetraphenyl-1,3-butadiene Radical Anion","Acta Crystallographica Section C","1995","51","12","2510","2514","10.1107/S0108270195007396","","","0.7106","MoKα","","0.0623","0.0433","","0.1289","0.1198","","","","1.043","1.088","1.088","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004284","33.131","0.003","7.792","0.001","7.256","0.001","90","","90","","90","","1873.2","0.4","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(4-nitroanilinium)tetrachlorocadmate","","- C12 H14 Cd Cl4 N4 O4 -","- C12 H14 Cd Cl4 N4 O4 -","- C48 H56 Cd4 Cl16 N16 O16 -","4","0.5","KH1041","Azumi, R.; Honda, K.; Goto, M.; Akimoto, J.; Oosawa, Y.; Tachibana, H.; Nakamura, T.; Tanaka, M.; Matsumoto, M.","Bis(4-nitroanilinium) Tetrachlorocadmate","Acta Crystallographica Section C","1995","51","12","2534","2537","10.1107/S0108270195007384","","","0.7107","MoKα","","","0.028","","","0.034","","","","","2.17","2.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004285","14.002","0.003","9.0989","0.0006","15.413","0.004","90","","114.24","0.01","90","","1790.5","0.6","298","2","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H23 N2 O P S3 -","- C14 H23 N2 O P S3 -","- C56 H92 N8 O4 P4 S12 -","4","1","KH1044","Bottle, S. E.; Bott, R. C.; Smith, G.; Wermuth, U. D.; Kennard, C. H. L.","Novel Six- and Eight-Membered Heterocycles. A Trithiadiazaphosphorinane and a Pentathiadiazaphosphocine","Acta Crystallographica Section C","1995","51","12","2633","2637","10.1107/S0108270195009188","","","0.71073","MoKα","","","0.0367","","0.1133","","","","","0.959","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004286","9.836","0.009","14.01","0.01","15.733","0.008","96.89","0.05","91.95","0.05","107.7","0.04","2045","3","298","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H23 N2 O P S5 -","- C14.5 H23 N2 O P S5 -","- C58 H92 N8 O4 P4 S20 -","4","2","KH1044","Bottle, S. E.; Bott, R. C.; Smith, G.; Wermuth, U. D.; Kennard, C. H. L.","Novel Six- and Eight-Membered Heterocycles. A Trithiadiazaphosphorinane and a Pentathiadiazaphosphocine","Acta Crystallographica Section C","1995","51","12","2633","2637","10.1107/S0108270195009188","","","0.71073","MoKα","","","0.0475","","0.1306","","","","","1.045","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004287","19.34","0.04","19.34","0.04","25.688","0.016","90","","90","","120","","8321","2","120","1","120","1","","","","","","","","5","P 63/m","-P 6c","176","Terbium(III)cerium(IV)hydrogen sulphate hydrate","","","- Ce6 H153.66 O180.45 S27 Tb7 -","- Ce6 O181.72 S27 Tb7 -","- Ce12 O363.44 S54 Tb14 -","2","0.166667","LI1136","Barnes, J. C.","An Acid Terbium(III) Cerium(IV) Sulfate Hydrate, H~9~Tb~7~Ce~6~(SO~4~)~27~.72.2H~2~O","Acta Crystallographica Section C","1995","51","12","2466","2469","10.1107/S0108270195009267","","","0.71069","MoKα","","0.0953","0.0692","","0.1874","0.1631","","","","1.02","1.101","1.101","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004288","23.382","0.006","10.16","0.003","11.265","0.005","90","","92.78","0.03","90","","2673","1.6","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[4-chloro-3-(2-nitrophenylthio)butyl]triphenylstannane","","- C28 H26 Cl N O2 S Sn -","- C28 H26 Cl N O2 S Sn -","- C112 H104 Cl4 N4 O8 S4 Sn4 -","4","1","MU1188","Aupers, J. H.; Wardell, J. L.","[4-Chloro-3-(2-nitrophenylthio)butyl]triphenylstannane","Acta Crystallographica Section C","1995","51","12","2559","2561","10.1107/S0108270195008110","","","0.71073","MoKα","","","0.035","","","0.042","","","","","0.934","0.934","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004289","15.401","0.007","18.228","0.011","5.857","0.003","90","","90","","90","","1644.2","1.5","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","(Theophyllinato-N^7^)(dimethylphenylphosphine)gold(I)","(3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dionato-N^7^)- (dimethylphenylphosphine)gold(I)","","- C15 H18 Au N4 O2 P -","- C15 H18 Au N4 O2 P -","- C60 H72 Au4 N16 O8 P4 -","4","1","MU1194","Pajunen, A.; Kivekäs, R.; Colacio, E.; Cuesta, R.","(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1<i>H</i>-purin-7-yl)(dimethylphenylphosphine)gold(I)","Acta Crystallographica Section C","1995","51","12","2551","2554","10.1107/S0108270195008109","","","0.71073","MoKα","","0.0375","0.0351","","0.0849","0.0833","","","","1.12","1.131","1.131","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004290","9.561","0.002","16.723","0.004","10.536","0.003","90","","115.87","0.02","90","","1515.8","0.7","178","2","178","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Mo2 N2 O4 -","- C30 H44 Mo2 N2 O4 -","- C60 H88 Mo4 N4 O8 -","2","0.5","NA1159","Stammler, H.-G.; Jutzi, P.; Neumann, B.; Kristen, M. O.","Non-Coordination of the Dimethylamino Group in a Dinuclear Molybdenum Complex with the 1-[2-(Dimethylamino)ethyl]-2,3,4,5-tetramethylcyclopentadienyl Ligand","Acta Crystallographica Section C","1995","51","12","2496","2498","10.1107/S0108270195006822","","","0.71073","MoKα","","0.1282","0.0628","","0.222","0.1482","","","","1.009","1.028","1.028","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004291","9.184","0.002","14.793","0.001","10.495","0.002","90","","97.22","0.01","90","","1414.5","0.4","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Cl4 N10 O4 Sn -","- C18 H26 Cl4 N10 O4 Sn -","- C36 H52 Cl8 N20 O8 Sn2 -","2","0.5","NA1160","Casas, J. S.; Castiñeiras, A.; Martínez, G.; Sordo, J.; Varela, J. M.; Couce, M. D.","Bis(1,1'-dimethyl-5-nitro-2,2'-biimidazol-3'-ium) <i>trans</i>-Tetrachlorodimethylstannate","Acta Crystallographica Section C","1995","51","12","2561","2563","10.1107/S0108270195005051","","","0.71073","MoKα","","","0.038","","","0.042","","","","","1.506","1.506","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004292","12.785","0.005","9.265","0.004","12.881","0.004","90","","97.39","0.03","90","","1513.1","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 N O4 Rh -","- C15 H22 N O4 Rh -","- C60 H88 N4 O16 Rh4 -","4","1","NA1162","Stammler, H.-G.; Jutzi, P.; Neumann, B.; Kristen, M. O.; Hölscher, H.","Intramolecular Coordination of the Dimethylamino Group in a Rhodium‒Oxalate Complex with the 1-[2-(Dimethylamino)ethyl]-2,3,4,5-tetramethylcyclopentadienyl Ligand","Acta Crystallographica Section C","1995","51","12","2494","2496","10.1107/S0108270195006871","","","0.71073","MoKα","","0.1236","0.0605","","0.1694","0.1147","","","","1.126","1.181","1.181","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004293","11.772","0.005","9.346","0.003","17.186","0.008","90","0.03","91.7","0.04","90","0.03","1890","1.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-hydroxyethyl)N-dihydroxyethylammonium 2-(2,6-dichlorophenylamino)phenylacetate","","- C18 H22 Cl2 N2 O4 -","- C18 H22 Cl2 N2 O4 -","- C72 H88 Cl8 N8 O16 -","4","1","NA1170","Castellari, C.; Ottani, S.","Anti-Inflammatory Drugs. II. Salt of 2-(2,6-Dichlorophenylamino)phenylacetic Acid with Diethanolamine","Acta Crystallographica Section C","1995","51","12","2612","2615","10.1107/S010827019500730X","","","0.71069","MoKα","","0.1163","0.0344","","0.0998","0.0773","","","","1.006","1.125","1.125","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004294","44.117","0.009","10.65","0.002","18.898","0.004","90","","92.16","0.03","90","","8873","3","293","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H51 Cl3 N P3 Ru -","- C49 H50 Cl3.5 Cs N P3 Ru -","- C392 H400 Cl28 Cs8 N8 P24 Ru8 -","8","1","NA1178","Bianchini, C.; Masi, D.; Peruzzini, M.; Romerosa, A.; Zanobini, F.","<i>mer</i>,<i>trans</i>-[Bis(2-diphenylphosphinoethyl)(<i>n</i>-propyl)amine-<i>N</i>,<i>P</i>,<i>P</i>']dichloro(triphenylphosphine)ruthenium(II) 0.5-Dichloromethane Solvate","Acta Crystallographica Section C","1995","51","12","2514","2517","10.1107/S0108270195007591","","","1.54184","CuKα","","","0.0339","","","0.0999","","","","","1.202","1.202","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004295","15.515","0.001","15.515","0.001","8.851","0.001","90","","90","","90","","2130.6","0.3","298","","","","","","","","","","","3","I -4","I -4","82","","","","- C13 H18 O -","- C13 H18 O -","- C104 H144 O8 -","8","1","NA1181","Bohnen, F. M.; Maier, W. F.; Krüger, C.","Tricyclo[8.2.1.0^2,9^]trideca-5,11-dien-3-ol","Acta Crystallographica Section C","1995","51","12","2639","2641","10.1107/S0108270195009590","","","0.71069","MoKα","","","0.034","","","0.102","","","","","0.82","0.82","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004296","9.597","0.004","11.288","0.004","11.984","0.004","92.28","0.03","109.58","0.03","99.1","0.03","1201.7","0.8","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H54 Cu2 N2 O14 -","- C50 H54 Cu2 N2 O14 -","- C50 H54 Cu2 N2 O14 -","1","0.5","NA1186","Turpeinen, U.; Hämäläinen, R.; Mutikainen, I.","Bis[(2-hydroxyethyl)dimethylammonium] Tetrakis(μ-benzoato-<i>O</i>:<i>O</i>')bis[(benzoato-<i>O</i>)cuprate(II)]","Acta Crystallographica Section C","1995","51","12","2544","2546","10.1107/S0108270195007682","","","0.71069","MoKα","","","0.048","","","0.0552","","","","","1.18","1.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004297","30.403","0.001","8.13","0.001","10.354","0.002","90","","101.889","0.001","90","","2504.4","0.6","295","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 Cl2 N -","- C14 H11 Cl2 N -","- C112 H88 Cl16 N8 -","8","1","NA1187","Ülkü, D.; Tahir, M. N.; Menzek, A.; Balcı, M.","Unusual Chlorination During an Epoxidation Reaction of an Ethenocyclopropa[<i>b</i>]naphthalene Derivative","Acta Crystallographica Section C","1995","51","12","2714","2715","10.1107/S0108270195009383","","","0.71073","MoKα","","","0.056","","","0.05","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004298","7.213","0.002","9.102","0.003","10.08","0.004","80.49","0.03","86.85","0.03","74.32","0.02","628.4","0.4","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","[15]aneS2O3","1,4,7-trioxa-10,13-dithiacyclopentdecane","","- C10 H20 O3 S2 -","- C10 H20 O3 S2 -","- C20 H40 O6 S4 -","2","1","NA1189","Blake, A. J.; Radek, C.; Schröder, M.","Redetermination of the Structures of 1,4,7-Trioxa-10,13-dithiacyclopentadecane and 1,4,7,10-Tetraoxa-13,16-dithiacyclooctadecane","Acta Crystallographica Section C","1995","51","12","2668","2671","10.1107/S0108270195008079","","","0.71073","MoKα","","0.0284","0.0248","","0.0666","0.0622","","","","1.037","1.032","1.032","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004299","15.9074","0.0012","9.5181","0.0008","12.5255","0.001","90","","124.351","0.004","90","","1565.7","0.2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[18]aneS2O4","1,4,7,10-Tetraoxa-13,16-dithiacyclooctadecane","","- C12 H24 O4 S2 -","- C12 H24 O4 S2 -","- C48 H96 O16 S8 -","4","0.5","NA1189","Blake, A. J.; Radek, C.; Schröder, M.","Redetermination of the Structures of 1,4,7-Trioxa-10,13-dithiacyclopentadecane and 1,4,7,10-Tetraoxa-13,16-dithiacyclooctadecane","Acta Crystallographica Section C","1995","51","12","2668","2671","10.1107/S0108270195008079","","","0.71073","MoKα","","0.0535","0.0386","","0.1194","0.1058","","","","1.03","1.06","1.06","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2004300","4.848","0.003","11.79","0.007","12.159","0.005","72.06","0.02","84.77","0.03","84.19","0.04","656.5","0.6","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","4-n-heptylbenzoic acid","","- C14 H20 O2 -","- C14 H20 O2 -","- C28 H40 O4 -","2","1","NA1190","Blake, A. J.; Fallis, I. A.; Parsons, S.; Schröder, M.; Bruce, D. W.","4-<i>n</i>-Heptylbenzoic Acid","Acta Crystallographica Section C","1995","51","12","2666","2668","10.1107/S0108270195007876","","","0.71073","MoKα","","0.2441","0.0672","","0.161","0.1057","","","","0.961","1.245","1.245","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004301","9.292","0.002","10.139","0.002","10.095","0.002","90","","91.59","0.03","90","","950.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Trans-1-cyano-2-phenylcyclopropanecarboxamide","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","NA1194","Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; López, M. P.","<i>trans</i>-1-Cyano-2-phenylcyclopropanecarboxamide","Acta Crystallographica Section C","1995","51","12","2703","2705","10.1107/S010827019500936X","","","0.71073","MoKα","","0.0713","0.0435","","0.1171","0.1005","","","","1.071","1.109","1.109","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004302","9.816","0.001","12.422","0.001","15.234","0.001","90","","90","","90","","1857.5","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","mutilin","[3aS-(3aα,4β,5α,6α,8β,9α,9αβ,10S*]-6-ethenyloctahydro-5,8- dihydroxy- 4,6,9,10-tetramethyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","1","NA1195","Pilati, T.; Cravotto, G.; Palmisano, G.","Absolute Configuration of Mutilin, 5-Acetylmutilin and 5-Bromoacetylmutilin","Acta Crystallographica Section C","1995","51","12","2676","2680","10.1107/S0108270195008602","","","0.71073","MoKα","","0.0714","0.0463","","0.1166","0.1043","","","","1.032","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004303","7.063","0.001","15.863","0.002","18.027","0.003","90","","90","","90","","2019.8","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5-acetylmutilin","[3aS-(3aα,4β,5α,6α,8β,9α,9αβ,10S*]-5-acetate-6-ethenyloctahydro-5,8- dihydroxy-4,6,9,10-tetramethyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one","","- C22 H34 O4 -","- C22 H34 O4 -","- C88 H136 O16 -","4","1","NA1195","Pilati, T.; Cravotto, G.; Palmisano, G.","Absolute Configuration of Mutilin, 5-Acetylmutilin and 5-Bromoacetylmutilin","Acta Crystallographica Section C","1995","51","12","2676","2680","10.1107/S0108270195008602","","","0.71073","MoKα","","0.0696","0.0448","","0.0994","0.0887","","","","1.067","1.109","1.109","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004304","9.32","0.001","11.251","0.001","10.671","0.001","90","","109.266","0.008","90","","1056.29","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","5-bromoacetilmutilin","S-(3aα,4β,5α,6α,8β,9α,9αβ,10S*]-5-bromoacetate-6-ethenyloctahydro-5,8- dihydroxy-4,6,9,10-tetramethyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one","","- C22 H33 Br O4 -","- C22 H33 Br O4 -","- C44 H66 Br2 O8 -","2","1","NA1195","Pilati, T.; Cravotto, G.; Palmisano, G.","Absolute Configuration of Mutilin, 5-Acetylmutilin and 5-Bromoacetylmutilin","Acta Crystallographica Section C","1995","51","12","2676","2680","10.1107/S0108270195008602","","","0.71073","MoKα","","","0.0444","","0.0912","0.0776","","","","","1.074","1.074","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004305","16.208","0.002","16.208","0.002","5.8","0.002","90","","90","","90","","1523.7","0.6","292","","292","","","","","","","","","7","P -4 21 m","P -4 2ab","113","","PB(REO4)2.THIOUREA","","- C2 H12 N4 O26 Pb3 Re6 S2 -","- C2 H12 N4 O26 Pb3 Re6 S2 -","- C4 H24 N8 O52 Pb6 Re12 S4 -","2","0.25","NS1002","Macícek, J.; Angelova, O.","Molecular Adducts of Inorganic Salts. III. Non-Centrosymmetric 3Pb(ReO~4~)~2~.2tu.2H~2~O (tu = Thiourea)","Acta Crystallographica Section C","1995","51","12","2539","2542","10.1107/S0108270195004653","","","0.71073","MoKα","","0.073","0.041","","0.132","0.049","","","","1.946","0.736","0.736","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2004306","9.5573","0.0005","8.7019","0.0002","5.2705","0.0003","90","","107.637","0.002","90","","417.73","0.04","296","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ga Na O6 Si2 -","- Ga Na O6 Si2 -","- Ga4 Na4 O24 Si8 -","4","0.5","","Ohashi, Haruo; Osawa, Toshikazu; Sato, Akira","Low-Density Form of NaGaSi~2~O~6~","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","12","2476","2477","10.1107/s010827019500775x","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2004307","7.711","0.002","12.728","0.003","13.728","0.003","90","","90","","90","","1347.3","0.6","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O -","- C15 H24 O -","- C60 H96 O4 -","4","1","PA1169","Benharref, A.; El Jamili, H.; Lassaba, E.; Giorgi, M.; Pierrot, M.","2β,3β-Epoxy-α-<i>trans</i>-himachalene and 2β,3β,11α,15α-Diepoxy-<i>trans</i>-himachalane Derivatives","Acta Crystallographica Section C","1995","51","12","2658","2661","10.1107/S0108270195009024","","","0.71073","MoKα","","","0.05","","","0.073","","","","","2.25","2.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004308","7.711","0.001","12.562","0.002","13.989","0.002","90","","90","","90","","1355.1","0.3","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","PA1169","Benharref, A.; El Jamili, H.; Lassaba, E.; Giorgi, M.; Pierrot, M.","2β,3β-Epoxy-α-<i>trans</i>-himachalene and 2β,3β,11α,15α-Diepoxy-<i>trans</i>-himachalane Derivatives","Acta Crystallographica Section C","1995","51","12","2658","2661","10.1107/S0108270195009024","","","0.71073","MoKα","","","0.05","","","0.05","","","","","0.712","0.712","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004309","11.933","0.002","7.322","0.001","15.551","0.005","90","","92.01","0.03","90","","1357.9","0.5","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","PA1175","Tenon, J. A.; Carles, M.; Aycard, J.-P.","<i>N</i>-(5-Hydroxysalicylidène)-2,4,6-triméthylaniline","Acta Crystallographica Section C","1995","51","12","2603","2606","10.1107/S0108270195007967","","","0.71073","MoKα","","","0.041","","","0.041","","","","","0.73","0.73","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004310","12.582","0.002","12.582","0.002","3.937","0.002","90","","90","","90","","623.3","0.3","293","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- F4 K3 Nb3 O11 Ti2 -","- F K3 O2 Of12 St5 -","- F2 K6 O4 Of24 St10 -","2","0.125","PA1178","Ladjeroud, Z.; Balegroune, F.; Guehria, A.; Benziada, L.; Triki, S.","K~3~Nb~3~Ti~2~O~11~F~4~","Acta Crystallographica Section C","1995","51","12","2459","2461","10.1107/S0108270195007980","","","0.71073","MoKα","","","0.047","","","0.072","","","","","2.136","2.136","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004311","8.79","0.002","8.79","0.002","24.831","0.005","90","","90","","120","","1661.5","0.6","295","","","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C10 H18 Br4 N8 S2 Zn -","- C10 H18 Br4 N8 S2 Zn -","- C30 H54 Br12 N24 S6 Zn3 -","3","0.5","PA1185","Salas, J. M.; Romero, M. A.; Faure, R.","Bis(4,6-diamino-2-methylthiopyrimidinium) Tetrabromozincate(II)","Acta Crystallographica Section C","1995","51","12","2532","2534","10.1107/S0108270195007992","","","0.7107","MoKα","","","0.075","","","0.088","","","","","4.7","4.7","","","","","has coordinates","199682","2020-10-21","18:00:00",""
"2004312","5.175","0.001","11.172","0.002","14.057","0.002","82.46","0.01","81.7","0.02","77.03","0.02","779.6","0.2","292","","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H12 Br F N2 O2 -","- C17 H12 Br F N2 O2 -","- C34 H24 Br2 F2 N4 O4 -","2","1","PT1003","De Simone, C. A.; Zukerman-Schpector, J.; Pereira, M. A.; Cuong, L.-D.; Pitta, I. R.; Galdino, S. L.; Cavalcanti De Amorim, E. L.","3-(4-Bromobenzyl)-5-(4-fluorobenzylidene)imidazolidine-2,4-dione","Acta Crystallographica Section C","1995","51","12","2620","2621","10.1107/S0108270195006639","","","0.71073","MoKα","","","0.058","","","0.062","","","","","1.65","1.65","","","","","has coordinates","198483","2020-10-21","18:00:00",""
"2004313","9.625","0.002","5.805","0.001","12.665","0.003","90","","109.63","0.05","90","","666.5","0.3","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","PT1011","Seetharaman, J.; Rajan, S. S.","8,9-Dimethoxybenzo[<i>b</i>]carbazole","Acta Crystallographica Section C","1995","51","12","2568","2570","10.1107/S0108270195006627","","","1.54184","CuKα","","","0.056","","","0.063","","","","","1.01","1.01","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004314","6.226","0.0016","14.3627","0.0015","14.551","0.002","90","","92.783","0.017","90","","1299.6","0.4","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[2-(3,4-dichlorophenyl)vinyl]benzothiazole","","- C15 H9 Cl2 N S -","- C15 H9 Cl2 N S -","- C60 H36 Cl8 N4 S4 -","4","1","PT1025","Yang, J.; Kumar, P.; Dimmock, J. R.; Quail, J. W.","2-[2-(3,4-Dichlorophenyl)vinyl]benzo[<i>d</i>]thiazole","Acta Crystallographica Section C","1995","51","12","2700","2702","10.1107/S0108270195008626","","","0.7093","MolybdenumKα","","0.082","0.049","","0.05","0.049","","","","","1.26","1.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004315","10.55","0.001","9.071","0.002","15.146","0.002","90","","103.37","0.01","90","","1410.2","0.4","213","","213","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C13 H15 Cl N2 O2 S -","- C13 H15 Cl N2 O2 S -","- C52 H60 Cl4 N8 O8 S4 -","4","1","PT1026","Chai, C. L. L.; Hockless, D. C. R.","<i>trans</i>-3-(<i>p</i>-Chlorophenylthio)-1,4,6-trimethylpiperazine-2,5-dione","Acta Crystallographica Section C","1995","51","12","2579","2581","10.1107/S0108270195007219","","","1.5418","CuKα","","0.0397","0.036","","0.0417","0.041","","","","","2.99","2.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004316","6.574","0.001","16.083","0.003","18.257","0.003","90","","90","","90","","1930.3","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N3 -","- C22 H29 N3 -","- C88 H116 N12 -","4","1","SX1000","Wolska, I.; Borowiak, T.","2-Cyano-2-phenylsparteine","Acta Crystallographica Section C","1995","51","12","2716","2718","10.1107/S0108270195007931","","","1.54178","CuKα","","0.0728","0.047","","0.1229","0.1229","","","","1.056","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004317","9.253","0.002","12.558","0.002","15.862","0.008","90","","90","","90","","1843.2","1.1","298","1","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Azido-N,N-diphenylcarbamoyl proline methyl ester","","- C19 H19 N5 O3 -","- C19 H19 N5 O3 -","- C76 H76 N20 O12 -","4","1","SZ1008","Lynch, V. M.; Hulme, C.; Magnus, P.; Davis, B. E.","Novel 2- and 5-Azido-<i>N</i>-(diphenylcarbamoyl)proline Methyl Esters. Examples of a Novel Proline Oxidation","Acta Crystallographica Section C","1995","51","12","2598","2601","10.1107/S0108270195010237","","","0.71073","MoKα","","0.151","0.0737","","0.0788","0.0632","","","","","1.508","1.508","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2004318","8.379","0.003","13.183","0.008","16.294","0.007","90","","90","","90","","1799.8","1.5","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","cis-5-Azido-N,N-diphenylcarbamoyl proline methyl ester","","- C19 H19 N5 O3 -","- C19 H19 N5 O3 -","- C76 H76 N20 O12 -","4","1","SZ1008","Lynch, V. M.; Hulme, C.; Magnus, P.; Davis, B. E.","Novel 2- and 5-Azido-<i>N</i>-(diphenylcarbamoyl)proline Methyl Esters. Examples of a Novel Proline Oxidation","Acta Crystallographica Section C","1995","51","12","2598","2601","10.1107/S0108270195010237","","","0.71073","MoKα","","0.0479","0.0385","","0.0433","0.0411","","","","","1.285","1.285","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2004319","10.458","0.002","16.969","0.003","9.739","0.002","90","","104.93","0.03","90","","1670","0.6","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8,16-Methano-16H-dinaphtho[2,1-d:1',2'-g][1,3]dioxocin-2,14-diol","","- C23 H16 O4 -","- C23 H16 O4 -","- C92 H64 O16 -","4","1","SZ1012","Klei, H. E.; Callegari, E.; Edwards, J. M.; Kelly, J. A.","8,16-Methano-16<i>H</i>-dinaphtho[2,1-<i>d</i>:1',2'-<i>g</i>][1,3]dioxocine-2,14-diol","Acta Crystallographica Section C","1995","51","12","2621","2624","10.1107/S0108270195003520","","","1.5418","CuKα","","0.0751","0.0561","","0.0796","0.073","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004320","12.391","0.005","17.316","0.004","21.908","0.007","90","","95.92","0.02","90","","4676","3","300","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 S2 Sn -","- C24.5 H23 N1.5 O2 S3 Sn -","- C196 H184 N12 O16 S24 Sn8 -","8","2","TA1019","Ng, S. W.; Kumar Das, V. G.","(<i>N</i>,<i>N</i>-Dimethylthiocarbamoylthioacetato)triphenyltin","Acta Crystallographica Section C","1995","51","12","2489","2491","10.1107/S0108270194014575","","","0.71073","MoKα","","","0.05","","","0.055","","","","","0.446","0.446","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004321","5.487","0.003","10.51","0.004","17.796","0.009","100.61","0.04","96.03","0.04","97.23","0.04","992","0.9","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 Br2 S5 -","- C17 H12 Br2 S5 -","- C34 H24 Br4 S10 -","2","1","TA1027","Yu, W.-T.; Qi, F.; Hong, L.","4,5-Bis(4-bromobenzylthio)-1,3-dithiole-2-thione","Acta Crystallographica Section C","1995","51","12","2606","2608","10.1107/S0108270195007906","","","0.71073","MoKα","","","0.076","","","0.074","","","","","1.358","1.358","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004322","11.119","0.001","6.368","0.001","5.582","0.001","101.6","0.01","90.43","0.01","102.4","0.01","377.6","0.1","292","1","293","2","","","","","","","","5","P -1","-P 1","2","","Tetrahydro-6-methyl-1H-thieno[3,4-b]pyrrol-2(3H)-one","","- C7 H11 N O S -","- C7 H11 N O S -","- C14 H22 N2 O2 S2 -","2","1","TA1030","Mackay, M. F.; Henderson, S. A.; Savage, G. P.","Tetrahydro-6-methyl-1<i>H</i>,3<i>H</i>-thieno[3,4-<i>b</i>]pyrrol-2-one, an Analogue of Biotin","Acta Crystallographica Section C","1995","51","12","2673","2674","10.1107/S0108270195008912","","","1.5418","CuKα","","","0.047","","","0.066","","","","","3.01","3.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004323","19.362","0.016","5.128","0.006","8.159","0.006","90","","100.11","0.06","90","","797.5","1.3","193","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 B O2 -","- C8 H9 B O2 -","- C32 H36 B4 O8 -","4","1","TA1036","Gainsford, G. J.; Meinhold, R. H.; Woolhouse, A. D.","Styrylboronic Acid","Acta Crystallographica Section C","1995","51","12","2694","2696","10.1107/S010827019500919X","","","0.71073","MoKα","","","0.055","","","0.055","","","","","1.36","1.36","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004324","8.281","0.002","12.084","0.003","14.491","0.005","90","","90","","90","","1450.1","0.7","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl (S)-2-benzoyloxy-4-bromo-4-methylpentanoate","","- C14 H17 Br O4 -","- C14 H17 Br O4 -","- C56 H68 Br4 O16 -","4","1","TA1037","Shaw, J. P.; Tan, E. W.; Blackman, A. G.","Homochiral Methyl (<i>S</i>)-2-Benzoyloxy-4-bromo-4-methylpentanoate","Acta Crystallographica Section C","1995","51","12","2583","2584","10.1107/S0108270195008444","","","0.71073","MoKα","","0.0569","0.0418","","0.093","0.0874","","","","1.054","1.076","1.076","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004325","10.001","0.001","20.603","0.002","8.601","0.001","90","","90","","90","","1772.2","0.3","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","VJ1020","Thiruvalluvar, A.; Sankar Raja Raj, K.; Krishna Pillay, M.; Venkatasubramanian, K.","<i>N</i>-Benzoyl-2-phenyldecahydroquinolin-4-one, C~22~H~23~NO~2~","Acta Crystallographica Section C","1995","51","12","2641","2643","10.1107/S0108270195003702","","","1.5418","CuKα","","","0.037","","","0.038","","","","","1.18","1.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004326","15.185","0.002","9.81","0.001","12.823","0.002","90","","100.89","0.02","90","","1875.8","0.4","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl N3 O3 -","- C18 H24 Cl N3 O3 -","- C72 H96 Cl4 N12 O12 -","4","1","VJ1025","Chandra Mohan, K.; Ravikumar, K.","Ondansetron Hydrochloride: a Competitive Serotonin 5-HT~3~ Receptor Blocker","Acta Crystallographica Section C","1995","51","12","2627","2629","10.1107/S0108270195008043","","","0.71073","MoKα","","","0.051","","","0.062","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004327","7.341","0.001","14.518","0.003","8.01","0.002","90","","94.01","0.03","90","","851.6","0.3","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 N2 S2 -","- C6 H12 N2 S2 -","- C24 H48 N8 S8 -","4","0.5","VS1009","Shishkin, O. V.; Kolos, N. N.; Orlov, V. D.; Kuznetsov, V. P.; Lakin, E. E.","<i>o</i>-Phenylenediammonium Bis(hydrogensulfide)","Acta Crystallographica Section C","1995","51","12","2643","2644","10.1107/S0108270195006846","","","0.71073","MoKα","","","0.037","","","0.043","","","","","1.73","1.73","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2004328","5.558","0.002","8.776","0.003","25.153","0.007","90","","95.46","0.02","90","","1221.3","0.7","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H28 N4 O6 -","- C25 H28 N4 O6 -","- C50 H56 N8 O12 -","2","1","VS1017","Mishnev, A. F.; Kemme, A. A.; Ancans, J. J.","<i>N</i>^{α^}-<i>tert</i>-Butoxycarbonyl-<i>N</i>^{τ^}-benzylhistidine <i>p</i>-Nitrobenzyl Ester","Acta Crystallographica Section C","1995","51","12","2601","2603","10.1107/S0108270195006834","","","0.71073","MoKα","","","0.049","","","0.049","","","","","0.988","0.988","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010348","4.515","0.001","9.503","0.003","11.618","0.002","90","","90.33","0.01","90","","498.5","0.2","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Lead diselenite","","","- O5 Pb Se2 -","- O5 Pb Se2 -","- O20 Pb4 Se8 -","4","1","","Koskenlinna, Markus; Valkonen, Jussi","Lead Diselenite","Acta Crystallographica Section C","1995","51","","01","03","","","","","","","","0.034","","","0.043","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010351","8.677","0.002","9.438","0.002","13.504","0.003","90","","96.45","0.03","90","","1098.9","0.4","130","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10 Br Cl O2 -","- C10 H10 Br Cl O2 -","- C40 H40 Br4 Cl4 O8 -","4","2","","Shaw, Joanne P.; Tan, Eng Wui; Blackman, Allan G.","Homochiral Methyl (2R,3S)-2-Chloro-3-bromo-3-phenylpropanoate","Acta Crystallographica Section C","1995","51","","134","135","","","","","","","","0.0401","","","0.1064","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010353","16.866","0.002","14.9176","0.0014","19.273","0.003","90","","98.022","0.012","90","","4801.6","1.1","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tris(triphenyltin)borate","Tris(triphenyltin)borate, B(OSnPh~3~)~3~","","- C54 H45 B O3 Sn3 -","- C54 H45 B O3 Sn3 -","- C216 H180 B4 O12 Sn12 -","4","1","AB1217","Ferguson, George; Spalding, Trevor R.; O'Dowd, Anna T.","Tris(triphenyltin)borate","Acta Crystallographica Section C","1995","51","1","67","70","10.1107/S0108270194010012","","","0.71069","MolybdenumKα","","0.067","0.03","","0.047","0.039","","","","","0.95","0.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010354","7.804","0.001","11.754","0.002","14.443","0.002","90","","103.57","0.02","90","","1287.8","0.3","300","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H50 O -","- C30 H50 O -","- C60 H100 O2 -","2","1","AL1034","Dey, I.; Banerjee, A.","7β,8β-Epoxyfriedelane","Acta Crystallographica Section C","1995","51","1","119","121","10.1107/S0108270194003082","","","1.54182","CuKα","","","0.064","","","0.062","","","","","1.855","1.855","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2010355","7.54","0.003","16.761","0.006","8.65","0.003","90","","99.56","0.02","90","","1078","0.7","293","","","","","","","","","","","6","P 1 a 1","P -2ya","","","","","- C10 H20 Mo2 N2 Na2 O16 -","- C10 H19 Mo2 N2 Na2 O16 -","- C20 H38 Mo4 N4 Na4 O32 -","2","1","AL1041","Mukherjee, K.; Roychowdhury, P.; Roy, K.; Mukherjee, D.; Kusunoki, M.","Disodium μ-(Ethylenediaminetetraacetato-<i>N</i>,<i>O</i>,<i>O</i>':<i>N</i>',<i>O</i>'',<i>O</i>''')-di-μ-oxo-bis[oxomolybdate(V)](<i>Mo</i>—<i>Mo</i>) Tetrahydrate","Acta Crystallographica Section C","1995","51","1","32","34","10.1107/S0108270193012168","","","0.71069","MoKα","","","0.043","","","0.051","","","","","1.1","1.1","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010356","8.875","0.002","9.826","0.002","26.468","0.005","90","","90","","90","","2308.2","0.8","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Br O2 P -","- C26 H28 Br O2 P -","- C104 H112 Br4 O8 P4 -","4","1","BK1011","Boys, D.; Araya-Maturana, R.; Gonzalez, O.; Manriquez, V.","[1-(Ethoxycarbonyl)-1-cyclopentyl]triphenylphosphonium Bromide, [(C~6~H~5~)~3~PC(C~4~H~8~)(COOC~2~H~5~)]Br","Acta Crystallographica Section C","1995","51","1","105","107","10.1107/S0108270194005433","","","0.71073","MoKα","","","0.032","","","0.031","","","","","1.006","1.006","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010357","11.0301","0.0014","13.7114","0.0008","11.6012","0.0012","90","","108.603","0.006","90","","1662.9","0.3","290","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F6 Fe O2 P -","- C17 H13 F6 Fe O2 P -","- C68 H52 F24 Fe4 O8 P4 -","4","1","BK1012","Piorko, A.; Christie, S.; Zaworotko, M.J.","Hexafluorophosphate Salts of Cyclopentadienyliron(II) Complexes of Dibenzodioxin and 1-Methyldibenzodioxin","Acta Crystallographica Section C","1995","51","1","26","29","10.1107/S010827019400363X","","","0.7107","MoKα","","","0.061","","","0.061","","","","","5.38","5.38","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010358","18.027","0.009","11.706","0.005","19.845","0.004","90","","99.81","0.03","90","","4127","3","290","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C20 H20 F6 Fe O3 P -","- C20 H20 F6 Fe O2.5 P -","- C160 H160 F48 Fe8 O20 P8 -","8","1","BK1012","Piorko, A.; Christie, S.; Zaworotko, M.J.","Hexafluorophosphate Salts of Cyclopentadienyliron(II) Complexes of Dibenzodioxin and 1-Methyldibenzodioxin","Acta Crystallographica Section C","1995","51","1","26","29","10.1107/S010827019400363X","","","0.7107","MoKα","","","0.042","","","0.052","","","","","3.16","3.16","","","","","has coordinates","190970","2020-10-21","18:00:00",""
"2010360","13.532","0.0007","13.817","0.001","14.0625","0.0009","90","","117.906","0.006","90","","2323.5","0.3","297","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H39 Cl3 Cr N3 -","- C18 H39 Cl3 Cr N3 -","- C72 H156 Cl12 Cr4 N12 -","4","1","BK1036","Wu, F.-J.; Stahly, P.; Fronczek, F.R.; Watkins, S.F.","Trichloro(1,4,7-tri-<i>n</i>-butyl-1,4,7-triazacyclononane-<i>N</i>,<i>N</i>',<i>N</i>'')chromium","Acta Crystallographica Section C","1995","51","1","18","20","10.1107/S0108270194006268","","","0.71073","MoKα","","","0.03","","","0.035","","","","","1.475","1.475","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010363","14.639","0.001","5.523","0.001","10.722","0.001","90","","111.99","0.01","90","","803.8","0.2","296","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Br H2 Li O5 -","- Br H2 Li O5 -","- Br8 H16 Li8 O40 -","8","1","","Blackburn, Anthony C.; Gerkin, Roger E.","Lithium Perbromate Monohydrate at 296 and 173 K","Acta Crystallographica Section C","1995","51","","03","07","","","","","","","","0.024","","","0.03","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010364","14.551","0.003","5.504","0.001","10.641","0.001","90","","111.93","0.01","90","","790.5","0.2","173","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Br H2 Li O5 -","- Br H2 Li O5 -","- Br8 H16 Li8 O40 -","8","1","","Blackburn, Anthony C.; Gerkin, Roger E.","Lithium Perbromate Monohydrate at 296 and 173 K","Acta Crystallographica Section C","1995","51","","03","07","","","","","","","","0.022","","","0.031","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010365","25.767","0.002","13.897","0.002","19.867","0.004","90","","126.91","0.01","90","","5688.3","1.7","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","","","","","- C58 H80 O10 -","- C70 H116 O10 -","- C280 H464 O40 -","4","0.5","CR1139","Marsh, R.E.","A Revised Structure for Diethyl 5,11,17,23-Tetra-<i>tert</i>-butyl-26,28-bis(2-methoxyethoxy)calix[4]arene-25,27-bis(oxyacetate)","Acta Crystallographica Section C","1995","51","1","157","158","10.1107/S0108270194004506","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010367","10.474","0.006","12.862","0.005","23.882","0.008","94.72","0.03","91.8","0.05","107.98","0.05","3044","3","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 I11 Mo4 P2 -","- C48 H40 I11 Mo4 P2 -","- C96 H80 I22 Mo8 P4 -","2","1","GR1011","Gordon, J.C.; Poli, R.","A Tetranuclear Butterfly Cluster of Molybdenum, [PPh~4~]~2~[Mo~4~I~11~]","Acta Crystallographica Section C","1995","51","1","14","18","10.1107/S0108270194004877","","","0.71073","MoKα","","","0.06","","","0.078","","","","","2.97","2.97","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010368","7.347","0.001","24.849","0.006","9.001","0.001","90","","107.14","0.01","90","","1570.3","0.5","213","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H2 O11 Os3 -","- C10 O11 Os3 -","- C40 O44 Os12 -","4","1","GR1012","Knoeppel, D.W.; Chung, J.-H.; Shore, S.G.","(μ-H)(μ-OH)Os~3~(CO)~10~","Acta Crystallographica Section C","1995","51","1","42","45","10.1107/S0108270194006128","","","0.71073","MoKα","","","0.026","","","0.031","","","","","0.947","0.947","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010369","12.3","0.02","9.02","0.011","11.482","0.004","117.1","0.1","88.79","0.02","97.88","0.01","1122","3","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 N4 O5 S -","- C21 H26 N4 O5 S -","- C42 H52 N8 O10 S2 -","2","1","HA1098","Fawcett, J.; Kemmitt, R. D. W.; Russell, D. R.; Serindag, O.; Guzel, B.; Serin, S.","2-[5-(Diethylaminosulfonyl)-2-methoxyphenylhydrazono]-3-oxo-<i>N</i>-phenylbutyramide","Acta Crystallographica Section C","1995","51","1","139","141","10.1107/S0108270194004981","","","0.71073","MoKα","","","0.054","","","0.058","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010370","24.725","0.008","14.544","0.002","13.95","0.001","90","","103.1","0.06","90","","4886","2","289","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C24 H21 F3 Fe2 O6 -","- C24 H21 F3 Fe2 O6 -","- C192 H168 F24 Fe16 O48 -","8","1","HL1042","Chen, J.; Zheng, P-J.; Yu, Y.; Chen, J-B.","[{μ-C(OC~2~H~5~)}(CO)~4~Fe~2~C{(OC~2~H~5~)(<i>p</i>-CF~3~C~6~H~4~)(η-C~7~H~7~)}]","Acta Crystallographica Section C","1995","51","1","34","37","10.1107/S0108270194000521","","","0.71073","MoKα","","","0.045","","","0.047","","","","","4.26","4.26","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010371","8.825","0.002","7.203","0.002","11.87","0.004","90","","92.38","0.02","90","","753.9","0.4","269","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N4 O8 Zn -","- C16 H18 N4 O8 Zn -","- C32 H36 N8 O16 Zn2 -","2","0.5","HR1000","Okabe, N.; Sasaki, Y.","Zinc(II) Complex of Urocanic Acid","Acta Crystallographica Section C","1995","51","1","65","67","10.1107/S0108270194005056","","","0.71073","MoKα","","","0.032","","","0.042","","","","","1.72","1.72","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010372","14.235","0.003","11.368","0.003","13.86","0.003","90","","108.84","0.02","90","","2122.7","0.9","296","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Cl Cu F6 N5 P -","- C17 H19 Cl Cu F6 N5 P -","- C68 H76 Cl4 Cu4 F24 N20 P4 -","4","1","HR1018","Wang, J.; Mashuta, M.S.; Richardson, J.F.; Buchanan, R.M.","Chloro[(1-methyl-2-imidazolyl-κ<i>N</i>^3^-methyl)-bis(2-pyridyl-κ<i>N</i>-methyl)amine-κ<i>N</i>]copper(II) Hexafluorophosphate, [CuCl(C~17~H~19~N~5~)]PF~6~","Acta Crystallographica Section C","1995","51","1","50","52","10.1107/S010827019400644X","","","0.71073","MoKα","","","0.045","","","0.048","","","","","1.06","1.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010374","12.955","0.004","14.217","0.006","16.494","0.009","98.82","0.05","112.57","0.05","101.15","0.03","2664","2","120","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Cu N4 O4 -","- C33 H26 Cu N4 O4 -","- C132 H104 Cu4 N16 O16 -","4","2","HR1021","Goetz-Grandmont, G.J.; Tayeb, A.; Matt, D.; Brunette, J.-P.; Toupet, L.","Folding onto Copper(II) of a Flexible Bis-Chelating 4-Acyl-pyrazol-5-olate","Acta Crystallographica Section C","1995","51","1","53","57","10.1107/S0108270194008024","","","0.71073","MoKα","","","0.082","","","0.072","","","","","2.841","2.841","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010375","8.669","0.002","10.553","0.002","13.535","0.003","96.34","0.02","105.91","0.03","105.02","0.02","1128","0.5","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O5 S -","- C24 H27 N O5 S -","- C48 H54 N2 O10 S2 -","2","1","HU1057","Arriortua, M.I.; Urtiaga, M.K.; Badia, D.; Dominguez, E.; Gonzalez Cameno, A.M.; Solans, X.","2-[(3,4-Dimethoxybenzyl)(<i>p</i>-toluenesulfonyl)amino]-2-phenylethanol","Acta Crystallographica Section C","1995","51","1","109","112","10.1107/S0108270194003719","","","0.71069","MoKα","","","0.056","","","0.066","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010376","15.664","0.002","15.664","0.002","16.97","0.002","90","","90","","90","","4163.8","0.9","293","","","","","","","","","","","5","I 41/a c d","I -4 2aw -bw","","","","","- C20 H20 Cl2 N4 Ru -","- C20 H20 Cl4 N4 Ru2 -","- C160 H160 Cl32 N32 Ru16 -","8","","HU1072","Elsegood, M.R.J.; Tocher, D.A.","<i>trans</i>-Dichlorotetrakis(pyridine-<i>N</i>)ruthenium(II)","Acta Crystallographica Section C","1995","51","1","40","42","10.1107/S0108270194006451","","","0.71073","MoKα","","","0.0453","","","0.032","","","","","2.2258","2.2258","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010377","11.007","0.001","19.1","0.003","14.976","0.002","90","","110.21","0.02","90","","2954.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 O3 S -","- C14 H24 O3 S -","- C112 H192 O24 S8 -","8","2","HU1088","Hellier, Desmond G.; Majid Motevalli","4,5-Dicyclohexyl-1,3,2-dioxathiolane 2-Oxide, C~14~H~24~O~3~S","Acta Crystallographica Section C","1995","51","1","129","131","10.1107/S0108270194007171","","","0.71069","MoKα","","0.0912","0.0489","","0.1228","0.1153","","","","1.01","1.242","1.242","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010378","7.176","0.001","11.969","0.002","12.621","0.002","90","","90","","90","","1084","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O3 S -","- C10 H16 O3 S -","- C40 H64 O12 S4 -","4","1","HU1093","Hellier, Desmond G.; Motevalli, Majid","Two Isomeric Sulfites of 10β-Pinane-2,3α-diol","Acta Crystallographica Section C","1995","51","1","116","119","10.1107/S0108270194007183","","","0.71069","MoKα","","0.113","0.0477","","0.1163","0.1046","","","","0.947","1.182","1.182","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010379","6.706","0.001","12.49","0.002","12.965","0.003","90","","90","","90","","1085.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O3 S -","- C10 H16 O3 S -","- C40 H64 O12 S4 -","4","1","HU1093","Hellier, Desmond G.; Motevalli, Majid","Two Isomeric Sulfites of 10β-Pinane-2,3α-diol","Acta Crystallographica Section C","1995","51","1","116","119","10.1107/S0108270194007183","","","1.5418","CuKα","","0.1513","0.0457","","0.1025","0.0869","","","","0.841","1.216","1.216","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010382","9.97","0.002","14.049","0.003","19.013","0.004","90","","90","","90","","2663.1","1","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H45 N2 O3 P -","- C23 H45 N2 O3 P -","- C92 H180 N8 O12 P4 -","4","1","HU1102","Blazis, Vincent J.; Koeller, Kevin J.; Rath, Nigam P.; Spilling, Christopher D.","A Chiral Bicyclic 1-Acetoxy Phosphonamide","Acta Crystallographica Section C","1995","51","1","86","88","10.1107/S0108270194007948","","","0.71073","MoKα","","","0.0495","","","0.0593","","","","","1.2","1.2","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010383","9.028","0.007","5.256","0.002","23.022","0.016","90","","92.78","0.06","90","","1091.1","1.2","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C44 H56 N8 O4 S4 -","4","1","KA1048","Kožíšek, J.; Ulický, L.; Marchalín, S.; Žák, Z.; Decroix, B.","4,6,7,8,9,9a-Hexahydro-11<i>H</i>-pyrido[1,2-<i>a</i>]thieno[2,3-<i>e</i>][1,3]diazepin-11(10<i>H</i>)-one","Acta Crystallographica Section C","1995","51","1","151","152","10.1107/S0108270194001812","","","1.54178","CuKα","","","0.0477","","","0.056","","","","","6.2","6.2","","","","","has coordinates","198434","2020-10-21","18:00:00",""
"2010384","6.4","0.001","10.767","0.001","11.203","0.002","91.62","0.01","91.34","0.02","102.2","0.2","753.9","0.2","295","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 N2 O3 -","- C15 H23 N2 O3 -","- C30 H46 N4 O6 -","2","1","","Olszak, Tomasz A.; Sobczynski, Piotr H.; Brzozowski, A. M.; Grabowski, M. J.; Gwozdzinski, Krzysztof","Piperidine Nitroxide Radicals with Heterocyclic Ring Substituents. 4-Hydroxy-2,2,6,6-tetramethyl-4-(2-pyridylmethyl 1-oxide)piperidine 1-oxide","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","121","123","10.1107/s0108270194007791","","","","","","","0.045","","","0.043","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010385","9.15","0.004","17.465","0.006","12.098","0.005","89.99","0.02","106.89","0.02","89.99","0.02","1849.9","1.3","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","KA1072","Kapor, A.; Stájer, G.; Frimpong-Manso, S.; Bernáth, G.","5a<i>r</i>-<i>p</i>-Tolyl-6a<i>t</i>,7<i>t</i>,8,9,10<i>t</i>,10a<i>t</i>-hexahydro-11<i>H</i>,13<i>H</i>-7,10-methano[1,3]benzoxazino[2,3-<i>b</i>][1,3]benzoxazin-13-one","Acta Crystallographica Section C","1995","51","1","131","134","10.1107/S010827019400497X","","","0.7107","MoKα","","","0.05","","","0.058","","","","","0.87","0.87","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010386","15.606","0.002","10.624","0.002","13.499","0.002","90","","98.89","0.01","90","","2211.2","0.6","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O5 S -","- C25 H25 N O5 S -","- C100 H100 N4 O20 S4 -","4","1","LI1101","Urtiaga, M.K.; Badiá, D.; Domínguez, E.; González-Cameno, A.M.; Amigó, J.M.; Reventós, M.M.; Debaerdemaeker, T.","Methyl (3<i>R</i>*,4<i>R</i>*)-4-Hydroxy-3-phenyl-2-(<i>p</i>-toluenesulfonyl)-1,2,3,4-tetrahydro-4-isoquinolinylacetate","Acta Crystallographica Section C","1995","51","1","112","114","10.1107/S010827019400524X","","","0.71069","MoKα","","","0.037","","","0.037","","","","","0.873","0.873","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010387","18.585","0.003","9.562","0.001","15.012","0.004","90","","131.83","0.03","90","","1987.8","1.1","293","","","","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C15 H7 N O9 Ru3 -","- C15 H7 N O9 Ru3 -","- C60 H28 N4 O36 Ru12 -","4","1","MU1090","Wong, W.-T.; Wong, W.-Y.","Triruthenium Alkylidyne Cluster Complexes [H~2~Ru~3~(CO)~9~(μ~3~-C<i>X</i>)] (<i>X</i> = Pyridine, 4-Ethylpyridine)","Acta Crystallographica Section C","1995","51","1","57","60","10.1107/S010827019400555X","","","0.71073","MoKα","","","0.037","","","0.05","","","","","1.876","1.876","","","","","has coordinates","190560","2020-10-21","18:00:00",""
"2010388","10.971","0.002","11.034","0.002","18.1","0.005","90","","90","","90","","2191.1","0.8","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C17 H11 N O9 Ru3 -","- C17 H11 N O9 Ru3 -","- C68 H44 N4 O36 Ru12 -","4","1","MU1090","Wong, W.-T.; Wong, W.-Y.","Triruthenium Alkylidyne Cluster Complexes [H~2~Ru~3~(CO)~9~(μ~3~-C<i>X</i>)] (<i>X</i> = Pyridine, 4-Ethylpyridine)","Acta Crystallographica Section C","1995","51","1","57","60","10.1107/S010827019400555X","","","0.71073","MoKα","","","0.028","","","0.04","","","","","1.394","1.394","","","","","has coordinates","190560","2020-10-21","18:00:00",""
"2010389","11.979","0.002","12.773","0.002","37.264","0.006","90","","90","","90","","5701.7","1.6","173","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Cl Si3 Zr -","- C24 H39 Cl Si3 Zr -","- C192 H312 Cl8 Si24 Zr8 -","8","1","MU1105","Lukens, Wayne","Chlorotris(trimethylsilylcyclopentadienyl)zirconium","Acta Crystallographica Section C","1995","51","1","10","12","10.1107/S0108270194007547","","","0.71073","MoKα","","","0.0467","","","0.0585","","","","","1.999","1.999","","","","","has coordinates,has disorder","200180","2020-10-21","18:00:00",""
"2010390","7.079","0.003","14.29","0.004","14.828","0.005","90","","93.22","0.03","90","","1497.6","0.9","128","5","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Co N2 O4 -","- C14 H11 Co N2 O4 -","- C56 H44 Co4 N8 O16 -","4","1","MU1106","Brammer, L.; Zhao, D.","Low-Temperature Structures of [py~2~H]^+^[Co(CO)~4~]^{-^} (py = Pyridine) and [(tmen)H]^+^[Co(CO)~4~]^{-^} (tmen = <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediamine)","Acta Crystallographica Section C","1995","51","1","45","48","10.1107/S0108270194005858","","","0.71073","MoKα","","","0.0417","","","0.044","","","","","1.42","1.42","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010391","19.528","0.005","9.518","0.002","7.408","0.002","90","","90","","90","","1376.9","0.6","128","5","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H17 Co N2 O4 -","- C12 H21 Co N2 O4 -","- C48 H84 Co4 N8 O16 -","4","0.5","MU1106","Brammer, L.; Zhao, D.","Low-Temperature Structures of [py~2~H]^+^[Co(CO)~4~]^{-^} (py = Pyridine) and [(tmen)H]^+^[Co(CO)~4~]^{-^} (tmen = <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediamine)","Acta Crystallographica Section C","1995","51","1","45","48","10.1107/S0108270194005858","","","0.71073","MoKα","","","0.0452","","","0.0455","","","","","1.48","1.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010392","19.142","0.008","20.759","0.004","23.645","0.01","90","","90","","90","","9396","6","293","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C104 H88 Au2 Cl6 Fe3 P6 -","- C104 H88 Au2 Cl6 Fe3 P6 -","- C416 H352 Au8 Cl24 Fe12 P24 -","4","0.5","MU1114","Houlton, A.; Mingos, D.M.P.; Murphy, D.M.; Williams, D.J.","[Au~2~Cl~2~(fdpp)~3~], a Structural Intermediate in the Assembly of Gold‒Phosphine Chain Polymers","Acta Crystallographica Section C","1995","51","1","30","32","10.1107/S0108270194005962","","","0.71073","MoKα","","","0.0496","","","0.0438","","","","","1.16","1.16","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010393","15.743","0.001","10.3","0.001","15.83","0.001","90","","104.638","0.007","90","","2483.6","0.3","293","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C56 H60 Mo O P4 -","- C57.2 H52 Mo O0.8 P4 -","- C114.4 H104 Mo2 O1.6 P8 -","2","0.5","MU1119","Pombeiro, A.J.L.; Hills, A.; Hughes, D.L.; Richards, R.L.","[MoH~4~(dppe)~2~].thf (dppe = Ph~2~PCH~2~CH~2~PPh~2~; thf = Tetrahydrofuran)","Acta Crystallographica Section C","1995","51","1","23","26","10.1107/S0108270194007559","","","0.71069","MoKα","","","0.032","","","0.04","","","","","2.13","2.13","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010394","8.214","0.001","10.264","0.001","13.138","0.003","96.03","0.01","87.13","0.01","110.18","0.01","1033.8","0.3","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N10 Ni O -","- C20 H18 N10 Ni O -","- C40 H36 N20 Ni2 O2 -","2","1","NA1087","Urtiaga, M.K.; Arriortua, M.I.; Muro, I.G.De.; Cortes, R.","Diazidobis(2,2'-bipyridine)nickel(II) Monohydrate","Acta Crystallographica Section C","1995","51","1","62","65","10.1107/S0108270194005159","","","0.71069","MoKα","","","0.035","","","0.038","","","","","1.23","1.23","","","","","has coordinates","191098","2020-10-21","18:00:00",""
"2010395","18.499","0.004","6.2149","0.0009","26.45","0.01","90","","103.16","0.03","90","","2961.1","1.4","293","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C136 H160 N16 O16 -","8","4","OH1042","Ohishi, H.; Sakamoto, Y.; Harusawa, S.; Yoneda, R.; Kurihara, T.","(13-Methyl-1,4,7,8,13,13b-hexahydro[1',2']oxazepino[2',3':1,2]pyrido[3,4-<i>b</i>]indol-1-yl)methanol and its Unusual Packing Style","Acta Crystallographica Section C","1995","51","1","135","139","10.1107/S0108270194000715","","","1.5418","CuKα","","","0.0615","","","0.0675","","","","","1.232","1.232","","","","","has coordinates","205900","2020-10-21","18:00:00",""
"2010396","15.963","0.004","15.963","0.004","8.525","0.003","90","","90","","90","","2172.3","1.1","124","","","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C6.5 H13.75 N0.25 Na O6 Si -","- C6.5 H13.75 N0.25 Na O6 Si -","- C52 H110 N2 Na8 O48 Si8 -","8","1","OH1063","Gainsford, G.J.; Kemmitt, T.; Milestone, N.B.","Sodium Bis[1,2-ethanediolato(2‒)](hydroxyethoxo)silicate(1‒) Acetonitrile Solvate, Na[Si(C~2~H~4~O~2~)~2~(C~2~H~5~O~2~)].0.25C~2~H~3~N","Acta Crystallographica Section C","1995","51","1","8","10","10.1107/S010827019400702X","","","0.71073","MoKα","","","0.028","","","0.033","","","","","0.93","0.93","","","","","has coordinates","206022","2020-10-21","18:00:00",""
"2010397","11.677","0.002","7.064","0.002","17.078","0.002","90","","94.22","0.02","90","","1404.9","0.5","143","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H42 Ni O14 S2 -","- C20 H42 Ni O14 S2 -","- C40 H84 Ni2 O28 S4 -","2","1","OH1067","Henderson, W.; Nicholson, B.K.","Hexaaquanickel(II) <small>D</small>-Camphor-10-sulfonate","Acta Crystallographica Section C","1995","51","1","37","40","10.1107/S0108270194006542","","","0.71073","MoKα","","","0.0491","","","0.0721","","","","","1.038","1.038","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010398","12.615","0.003","11.408","0.002","11.99","0.003","90","","98.78","0.01","90","","1705.3","0.7","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H21 Cl3 Co N5 O8 -","- C8 H21 Cl3 Co N5 O8 -","- C32 H84 Cl12 Co4 N20 O32 -","4","1","OH1069","Giannos, M.; Fallon, G.D.; Spiccia, L.","[<i>N</i>,<i>N</i>-Bis(2-aminoethyl)-<i>N</i>'-(2-aminoethylidene)ethane-1,2-diamine]chlorocobalt(III) Perchlorate","Acta Crystallographica Section C","1995","51","1","48","50","10.1107/S0108270194006189","","","0.7107","MoKα","","","0.038","","","0.038","","","","","1.652","1.652","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010399","8.67","0.003","3.902","0.002","10.463","0.001","90","","95.32","0.02","90","","352.4","0.2","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 N2 S2 -","- C6 H4 N2 S2 -","- C12 H8 N4 S4 -","2","0.5","PA1078","Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P.","5,5'-Bithiazole and 2,5'-Bithiazole","Acta Crystallographica Section C","1995","51","1","76","77","10.1107/S0108270194002969","","","0.71069","MoKα","","","0.031","","","0.038","","","","","0.508","0.508","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010400","5.77","0.003","5.923","0.002","21.056","0.001","90","","90","","90","","719.6","0.4","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C6 H4 N2 S2 -","- C6 H4 N2 S2 -","- C24 H16 N8 S8 -","4","1","PA1078","Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P.","5,5'-Bithiazole and 2,5'-Bithiazole","Acta Crystallographica Section C","1995","51","1","76","77","10.1107/S0108270194002969","","","0.71069","MoKα","","","0.041","","","0.054","","","","","2.3","2.3","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010401","5.673","0.002","6.172","0.002","11.507","0.001","90","","61.79","","90","","355.05","0.17","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C6 H4 N2 S2 -","- C4 H2 N2 S4 -","- C8 H4 N4 S8 -","2","0.5","PA1079","Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P.","2,4'-Bithiazole and Bis(2,4'-bithiazole)bis(dimethyl sulfoxide)copper(II) Diperchlorate","Acta Crystallographica Section C","1995","51","1","72","75","10.1107/S0108270194002970","","","0.71069","MoKα","","","0.039","","","0.04","","","","","0.465","0.465","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010402","19.249","0.002","10.073","0.002","14.701","0.001","90","","97.93","0.02","90","","2823.2","0.7","293","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","","","","","- C16 H20 Cl2 Cu N4 O10 S6 -","- C12 H16 Cl2 Cu N4 O10 S10 -","- C48 H64 Cl8 Cu4 N16 O40 S40 -","4","0.5","PA1079","Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P.","2,4'-Bithiazole and Bis(2,4'-bithiazole)bis(dimethyl sulfoxide)copper(II) Diperchlorate","Acta Crystallographica Section C","1995","51","1","72","75","10.1107/S0108270194002970","","","0.71069","MoKα","","","0.076","","","0.077","","","","","2.34","2.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010403","11.41","0.001","7.663","0.001","17.404","0.002","90","","103.31","0.01","90","","1480.8","0.3","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N2 O -","- C8 H8 N2 O -","- C64 H64 N16 O8 -","8","2","PA1100","Aubry, A.; Brembilla, A.; Faivre, V.; Lochon, P.","2-Hydroxymethylbenzimidazole","Acta Crystallographica Section C","1995","51","1","115","116","10.1107/S0108270194006001","","","1.5418","CuKα","","","0.0425","","","0.057","","","","","0.97","0.97","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010404","9.631","0.002","5.491","0.001","9.895","0.001","90","","92.04","0.01","90","","522.95","0.15","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H6 O2 S5 -","- C7 H6 O2 S5 -","- C14 H12 O4 S10 -","2","1","PA1109","Faulmann, C.; Cassoux, P.; Kotov, A.I.; Yagubskii, E.B.","4a,6,7,8a-Tetrahydro[1,3]dithiolo[4',5':5,6][1,4]dithiino[2,3-<i>b</i>][1,4]dioxine-2-thione. A Precursor for the Preparation of New Donor Molecules and Derived Conducting Cation Radical Salts","Acta Crystallographica Section C","1995","51","1","149","151","10.1107/S0108270194007286","","","0.71069","MoKα","","","3.9","","","4.5","","","","","0.89","0.89","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010406","7.442","0.001","22.709","0.002","9.738","0.001","90","","101.22","0.01","90","","1614.3","0.3","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","PA1113","Wallet, J.-C.; Molins, E.; Miravitlles, C.","1-Phenyl-3-(3,4,5-trimethoxyphenyl)-1,3-propanedione","Acta Crystallographica Section C","1995","51","1","103","104","10.1107/S0108270194007687","","","0.71073","MoKα","","","0.043","","","0.059","","","","","2.07","2.07","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010407","8.2513","0.0008","10.5006","0.0013","9.309","0.0008","90","","102.849","0.011","90","","786.37","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 O3 S -","- C18 H16 O3 S -","- C36 H32 O6 S2 -","2","1","","R. Retoux; L. Girodier; F. Rouessac","(-)-(SS)-α-Phenyl-2-(p-tolylsulfinyl)-3-furanmethanol","Acta Crystallographica Section C","1995","51","","146","148","","","","","","","","0.0329","","","0.0912","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010408","3.992","0.001","24.356","0.002","13.071","0.001","90","","90.55","0.01","90","","1270.8","0.3","294","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","PA1116","Wallet, J-C.; Molins, E.; Miravitlles, C.","2'-Hydroxy-2-methoxychalcone","Acta Crystallographica Section C","1995","51","1","123","125","10.1107/S010827019400805X","","","0.71073","MoKα","","","0.043","","","0.055","","","","","1.8","1.8","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010409","8.6439","0.0004","19.5142","0.0007","10.5033","0.0004","90","","101.723","0.004","90","","1734.74","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","","Olszewski, Piotr K.; Stadnicka, Katarzyna","Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System","Acta Crystallographica Section C","1995","51","","98","103","","","","","","","","0.0365","","","0.0925","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010410","8.989","0.003","9.6878","0.0011","41.67","0.004","90","","90","","90","","3628.8","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N3 O -","- C22 H21 N3 O -","- C176 H168 N24 O8 -","8","1","","Olszewski, Piotr K.; Stadnicka, Katarzyna","Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System","Acta Crystallographica Section C","1995","51","","98","103","","","","","","","","0.0432","","","0.0852","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010411","7.968","0.0014","8.1104","0.0011","23.761","0.003","90","","90","","90","","1535.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O3 S -","- C16 H20 O3 S -","- C64 H80 O12 S4 -","4","1","","R. Retoux; P. Hayes; C. Maignan","(5S,SS)-7-Methyl-8-p-toluenesulfinyl-1,6-dioxaspiro[4.5]dec-7-ene","Acta Crystallographica Section C","1995","51","","93","94","","","","","","","","0.0514","","","0.1337","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010412","8.5143","0.0007","11.8171","0.0006","14.752","0.0009","90","","90","","90","","1484.3","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 S -","- C16 H17 N O3 S -","- C64 H68 N4 O12 S4 -","4","1","","P. Gosselin; E. Bonfand; C. Maignan; R. Retoux","The Diels-Alder Adduct of an Enantiopure 2-Sulfinyldiene and Maleimide: (1S,2R,3S,R~s~)-3-Methyl-5-p-toluenesulfinylcyclohex-4-en-1,2-dicarboximide","Acta Crystallographica Section C","1995","51","","94","96","","","","","","","","0.0419","","","0.1108","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010414","11.83","0.02","8.36","0.02","18.32","0.04","90","","71.55","0.03","90","","1719","6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Chromene","8,8-diphenyl-[8H]-pyrano[3,2-f] quinoline","","- C24 H17 N O -","- C24 H17 N O -","- C96 H68 N4 O4 -","4","1","PA1125","Aldoshin, Sergey; Chuev, Igor; Utenyshev, Andrei; Lokshin, Vladimir; Pozzo, Jean Luc; Pèpe, Gérard; Guglielmetti, R.","A Photochromic Pyrido-Annulated 2,2-Diphenylchromene","Acta Crystallographica Section C","1995","51","1","141","143","10.1107/S0108270194008231","","","0.71069","MoKα","","0.0764","0.0547","","0.2335","0.0547","","","","0.681","0.766","0.766","","","","","has coordinates","198843","2020-10-21","18:00:00",""
"2010415","7.082","0.01","10.065","0.008","14.559","0.01","96.03","0.06","94.13","0.09","107.59","0.09","977.9","1.8","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 Cl N2 S4 Sn -","- C12 H23 Cl N2 S4 Sn -","- C24 H46 Cl2 N4 S8 Sn2 -","2","1","SE1051","Vrabel, V.; Kello, E.; Holecek, J.; Sivy, J.; Lokaj, J.","Chlorobis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)(vinyl)tin(IV)","Acta Crystallographica Section C","1995","51","1","70","72","10.1107/S0108270194006293","","","0.71069","MoKα","","","0.038","","","0.046","","","","","0.93","0.93","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010416","13.665","0.001","14.68","0.002","19.539","0.002","94.965","0.006","104.131","0.007","90.482","0.008","3784.9","0.7","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H11 Cl3 O4 -","- C68 H11 Cl3 O4 -","- C272 H44 Cl12 O16 -","4","2","","Paulus, E. F.; Bingel, C.","Diethyl Methano-C~60~-fullerene-61,61-dicarboxylate Chloroform Solvate at 193 K, C~67~H~10~O~4~.CHCl~3~","Acta Crystallographica Section C","1995","51","","143","146","","","","","","","","0.045","","","0.1101","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2010418","11.844","0.002","24.508","0.004","11.021","0.003","90","","114.32","0.01","90","","2915.2","1.1","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N O7 S2 -","- C31 H29 N O7 S2 -","- C124 H116 N4 O28 S8 -","4","1","VJ1002","Seetharaman, J.; Rajan, S.S.","1-(Phenylsulfonyl)-2-[1-(phenylsulfonyl)-2-(3,4,5-trimethoxyphenyl)ethyl]indole","Acta Crystallographica Section C","1995","51","1","78","80","10.1107/S0108270194007912","","","1.5418","CuKα","","","0.056","","","0.068","","","","","1.82","1.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010420","5.123","0.001","8.955","0.001","10.147","0.001","80.93","0.01","75.36","0.01","89.17","0.01","444.61","0.11","293","1","","","","","","","","","","5","P -1","-P 1","2","","","","- H7 N O10.5 S2 Sc -","- H8 N O11 S2 Sc -","- H16 N2 O22 S4 Sc2 -","2","1","AB1121","Mirčeva, A.; Golič, L.","Hydroxylammonium Scandium Sulfate Sesquihydrate, Sc(NH~3~OH)(SO~4~)~2~.1.5H~2~O","Acta Crystallographica Section C","1995","51","2","175","177","10.1107/S0108270194003203","","","0.71069","MoKα","","","0.03","","","0.034","","","","","0.42","0.42","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010421","8.342","0.003","9.861","0.002","12.735","0.002","80.41","0.02","79.91","0.02","80.96","0.02","1008.1","0.5","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N2 O5 -","- C24 H20 N2 O5 -","- C48 H40 N4 O10 -","2","1","AB1138","Liu, X.-L.; Wang, J.-L.; Liu, J.-W.; Miao, F.-M.","6'-Diethylamino-2'-nitrospiro[isobenzofuran-1(3<i>H</i>),9'-[9<i>H</i>]xanthen]-3-one","Acta Crystallographica Section C","1995","51","2","324","326","10.1107/S0108270194005949","","","0.71073","MoKα","","","0.035","","","0.034","","","","","0.721","0.721","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010423","9.325","0.001","11.474","0.002","17.418","0.003","90","","90","","90","","1863.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","quitenine ethyl ester","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Lewinski, Krzysztof; Nitek, Wojciech; Oleksyn, Barbara J.; Stec, Boguslaw","Quitenine Ethyl Ester","Acta Crystallographica Section C","1995","51","","282","285","","","","","","","","0.0335","","","0.0914","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010424","9.685","0.003","7.128","0.002","13.572","0.004","90","","99.78","0.02","90","","923.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C7 H9 F3 N2 O2 -","- C7 H9 F3 N2 O2 -","- C28 H36 F12 N8 O8 -","4","1","","Tinant, Bernard; Declercq, Jean-Paul; Bouillon, Jean-Philippe","Oxime of 1-Methyl-3-trifluoroacetylpyrrolidin-2-one","Acta Crystallographica Section C","1995","51","","270","272","","","","","","","","0.073","","","0.23","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010425","5.782","0.001","15.148","0.002","12.064","0.002","90","","98.98","0.02","90","","1043.7","0.3","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F O2 -","- C13 H9 F O2 -","- C52 H36 F4 O8 -","4","1","AS1092","Shibakami, M.; Sekiya, A.","Phenyl 2-Fluorobenzoate, Phenyl 4-Fluorobenzoate and Phenyl Benzoate","Acta Crystallographica Section C","1995","51","2","326","330","10.1107/S0108270194003653","","","1.5418","CuKα","","","0.046","","","0.063","","","","","3.38","3.38","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010426","16.966","0.002","5.783","0.001","22.038","0.001","90","","101.981","0.008","90","","2115.1","0.5","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 F O2 -","- C13 H9 F O2 -","- C104 H72 F8 O16 -","8","1","AS1092","Shibakami, M.; Sekiya, A.","Phenyl 2-Fluorobenzoate, Phenyl 4-Fluorobenzoate and Phenyl Benzoate","Acta Crystallographica Section C","1995","51","2","326","330","10.1107/S0108270194003653","","","1.5418","CuKα","","","0.064","","","0.072","","","","","2.8","2.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010427","5.689","0.001","14.734","0.001","12.385","0.001","90","","101.06","0.01","90","","1018.9","0.2","298","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 O2 -","- C13 H10 O2 -","- C52 H40 O8 -","4","1","AS1092","Shibakami, M.; Sekiya, A.","Phenyl 2-Fluorobenzoate, Phenyl 4-Fluorobenzoate and Phenyl Benzoate","Acta Crystallographica Section C","1995","51","2","326","330","10.1107/S0108270194003653","","","1.5418","CuKα","","","0.036","","","0.054","","","","","2.52","2.52","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010428","7.025","0.001","15.417","0.003","11.111","0.002","90","","102.38","0.01","90","","1175.4","0.4","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N5 O -","- C11 H15 N5 O -","- C44 H60 N20 O4 -","4","1","AS1114","Głowka, M.L.","3-(4-Pyridyl)-5,6,7,8-tetrahydro-9<i>H</i>-1,2,4-triazolo[4,3-<i>a</i>][1,3]diazepine Monohydrate","Acta Crystallographica Section C","1995","51","2","285","287","10.1107/S0108270194006414","","","0.71069","MoKα","","","0.0485","","","0.0594","","","","","0.63","0.63","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010429","9.559","0.002","12.464","0.002","10.478","0.002","90","","94.37","0.01","90","","1244.8","0.4","293","1","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C26 H46 -","- C26 H46 -","- C52 H92 -","2","0.5","AS1115","Overby, J.S.; Hanusa, T.P.","2,4,7,9-Tetra-<i>tert</i>-butyl-1,3,7,9-decatetraene","Acta Crystallographica Section C","1995","51","2","313","315","10.1107/S0108270194006426","","","0.71069","MoKα","","","0.044","","","0.05","","","","","1.54","1.54","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010430","9.7196","0.0013","9.848","0.002","30.923","0.007","90","","90","","90","","2959.9","1","122","0.5","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 N O9 -","- C32 H35 N O9 -","- C128 H140 N4 O36 -","4","1","AS1116","Lopez de Diego, Heidi","(<i>S</i>)-1-Phenylethylammonium (<i>S</i>)-Mandelate‒Mandelic Acid (1/2), C~8~H~12~N^+^.C~8~H~7~O~3~^{-^}.2C~8~H~8~O~3~","Acta Crystallographica Section C","1995","51","2","253","256","10.1107/S010827019400764X","","","1.5418","CuKα","","","0.044","","","0.1298","","","","","1.15","1.15","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010433","9.995","0.004","14.143","0.003","13.171","0.004","90","","91.96","0.03","90","","1860.8","1","298","3","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 Cl2 N4 Ni O8 -","- C10 H26 Cl2 N4 Ni O8 -","- C40 H104 Cl8 N16 Ni4 O32 -","4","1","AS1127","Tahirov, T. H.; Lu, T.-H.; Shu, K.; Chung, C.-S.","Two Forms of (5,5-Dimethyl-4,7-diazadecane-1,10-diamine)nickel(II) Diperchlorate","Acta Crystallographica Section C","1995","51","2","229","232","10.1107/S0108270194009492","","","0.71073","MoKα","","","0.062","","","0.083","","","","","1.57","1.57","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2010434","9.605","0.002","15.309","0.006","13.01","0.002","90","","105.64","0.02","90","","1842.2","0.9","298","3","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 Cl2 N4 Ni O8 -","- C10 H26 Cl2 N4 Ni O8 -","- C40 H104 Cl8 N16 Ni4 O32 -","4","1","AS1127","Tahirov, T. H.; Lu, T.-H.; Shu, K.; Chung, C.-S.","Two Forms of (5,5-Dimethyl-4,7-diazadecane-1,10-diamine)nickel(II) Diperchlorate","Acta Crystallographica Section C","1995","51","2","229","232","10.1107/S0108270194009492","","","0.71073","MoKα","","","0.049","","","0.066","","","","","1.27","1.27","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010437","5.782","0.002","18.164","0.005","7.531","0.002","90","","90.07","0.02","90","","790.9","0.4","294","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 O5 S -","- C6 H6 O5 S -","- C24 H24 O20 S4 -","4","1","BK1034","Webb, T.R.; Ho, Z.-C.; Livant, P.","<i>cis</i>,<i>trans</i>-3,3'-Sulfinylbis(acrylic acid)","Acta Crystallographica Section C","1995","51","2","304","306","10.1107/S0108270194005457","","","0.71073","MoKα","","","0.0534","","","0.0649","","","","","1.44","1.44","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010438","17.985","0.007","15.9","0.007","15.042","0.005","90","","104.23","0.04","90","","4169","3","298","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H36 Cl2 N4 O4 Zr -","- C49 H34 Cl4 N4 O4 Zr -","- C196 H136 Cl16 N16 O16 Zr4 -","4","0.5","BK1042","Huhmann, Jean L.; Corey, Joyce Y.; Rath, Nigam P.","(Tetraphenylporphyrinato)zirconium(IV) Diacetate","Acta Crystallographica Section C","1995","51","2","195","197","10.1107/S0108270194008553","","","0.71073","MoKα","","","0.0763","","","0.0822","","","","","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010440","24.443","0.009","9.102","0.002","15.356","0.005","90","","116.01","0.03","90","","3070.4","1.8","297","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Cu N O2 P2 -","- C36 H30 Cu N O2 P2 -","- C144 H120 Cu4 N4 O8 P8 -","4","0.5","BK1045","Halfen, Jason A.; Tolman, William B.","(Nitrito-<i>O</i>,<i>O</i>')bis(triphenylphosphine)copper(I), (PPh~3~)~2~Cu(NO~2~-<i>O</i>,<i>O</i>')","Acta Crystallographica Section C","1995","51","2","215","217","10.1107/S0108270194008991","","","0.71073","MoKα","","","0.063","","","0.06","","","","","1.72","1.72","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010444","8.204","0.003","8.204","0.003","4.159","0.001","90","","90","","120","","242.42","0.14","291","2","291","2","","","","","","","","4","P 3 2 1","P 3 2""","150","strontium dibromide hexahydrate","","","- Br2 H12 O6 Sr -","- Br2 H12 O6 Sr -","- Br2 H12 O6 Sr -","1","0.166667","","Abrahams, Isaac; Vordemvenne, Elke","Strontium Dibromide Hexahydrate","Acta Crystallographica Section C","1995","51","","183","185","","","","","","","","0.0294","","","0.075","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010446","13.613","0.005","5.919","0.009","14.988","0.002","90","","114.563","0.01","90","","1098.4","1.7","300","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 S -","- C10 H10 N4 O2 S -","- C40 H40 N16 O8 S4 -","4","1","CR1071","Kokila, M. K.; Puttaraja, ?; Kulkarni, M. V.; Thampi, S.","4-Amino-<i>N</i>-(2-pyrimidinyl)benzenesulfonamide","Acta Crystallographica Section C","1995","51","2","333","336","10.1107/S0108270193014180","","","1.5418","CuKα","","","0.064","","","0.086","","","","","2.78","2.78","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2010447","7.428","0.001","9.652","0.001","11.102","0.002","73.29","0.02","70.89","0.02","70.49","0.02","694.6","0.2","300","","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H17 N3 O4 S -","- C11 H17 N3 O4 S -","- C22 H34 N6 O8 S2 -","2","1","CR1072","Kokila, M.K.; Puttaraja; Kulkarni, M.V.; Thampi, S.","3,4,5-Trimethoxybenzaldehyde Thiosemicarbazone Monohydrate","Acta Crystallographica Section C","1995","51","2","330","333","10.1107/S0108270193014015","","","1.5418","CuKα","","","0.036","","","0.039","","","","","1.92","1.92","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010448","19.874","0.001","23.935","0.002","9.496","0.001","90","","90","","90","","4517.1","0.6","290","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C48 H52 N2 O15 -","- C48 H52 N2 O15 -","- C192 H208 N8 O60 -","4","1","CR1123","Gao, Q.; Golik, J.","2'-Carbamate Taxol","Acta Crystallographica Section C","1995","51","2","295","298","10.1107/S0108270194005317","","","1.5418","CuKα","","","0.041","","","0.041","","","","","1.149","1.149","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010449","6.6219","0.0003","9.4738","0.0013","12.462","0.002","96.475","0.011","93.022","0.007","107.315","0.008","738.53","0.16","297","","","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 F O -","- C9 H7 F O -","- C36 H28 F4 O4 -","4","2","CR1124","Garcia, J. G.; Enas, J. D.; VanBrocklin, H. F.; Fronczek, F. R.","5-Fluoro-1-indanone and 2,2-Dimethyl-5-fluoro-1-indanone","Acta Crystallographica Section C","1995","51","2","301","304","10.1107/S0108270194005329","","","1.54184","CuKα","","","0.056","","","0.076","","","","","4.462","4.462","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010450","13.992","0.001","6.962","0.001","9.788","0.001","90","","90","","90","","953.47","0.18","296","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H11 F O -","- C11 H11 F O -","- C44 H44 F4 O4 -","4","0.5","CR1124","Garcia, J. G.; Enas, J. D.; VanBrocklin, H. F.; Fronczek, F. R.","5-Fluoro-1-indanone and 2,2-Dimethyl-5-fluoro-1-indanone","Acta Crystallographica Section C","1995","51","2","301","304","10.1107/S0108270194005329","","","1.54184","CuKα","","","0.044","","","0.055","","","","","2.152","2.152","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010453","7.148","0.003","7.586","0.003","8.888","0.004","109.74","0.03","76.7","0.05","107.37","0.05","428.4","0.3","295","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H24 Cu N10 O6 -","- C10 H22 Cu N10 O6 -","- C10 H22 Cu N10 O6 -","1","0.5","DU1088","Viossat, B.; Tomas, A.; Nguyen-Huy Dung","L'hydrogénocarbonate de Bis(<i>N</i>,<i>N</i>-diméthylbiguanide) Cuivre(II), [Cu(C~4~H~11~N~5~)~2~]2HCO~3~","Acta Crystallographica Section C","1995","51","2","213","215","10.1107/S0108270194006086","","","0.7107","MoKα","","","0.05","","","0.04","","","","","1.47","1.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010454","6.061","0.001","6.061","0.001","9.525","0.001","90","","90","","90","","349.9","0.1","294","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Al2.7 Fe Si2.3 -","- Al2.7 Fe Si2.3 -","- Al10.8 Fe4 Si9.2 -","4","0.125","","Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N.","FeAl~3~Si~2~","Acta Crystallographica Section C","1995","51","","177","179","","","","","","","","0.014","","","0.02","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010455","6.061","0.001","6.061","0.001","9.525","0.001","90","","90","","90","","349.9","0.1","294","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Al2.7 Fe Si2.3 -","- Al3 Fe Si2 -","- Al12 Fe4 Si8 -","4","0.5","","Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N.","FeAl~3~Si~2~","Acta Crystallographica Section C","1995","51","","177","179","","","","","","","","0.034","","","0.037","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010458","4.533","0.001","16.537","0.003","12.687","0.003","90","","97.22","0.03","90","","943.5","0.3","569","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","9(10H)-ACRIDONE","","","- C13 H9 N O -","- C13 H9 N O -","- C52 H36 N4 O4 -","4","1","","Potts, Graham D.; Jones, W.","9(10H)-Acridone","Acta Crystallographica Section C","1995","51","","267","268","","","","","","","","0.0543","","","0.1759","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010461","13.8","0.006","7.406","0.001","16.114","0.003","90","","106.04","0.02","90","","1582.8","0.8","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N4 O2 S2 -","- C15 H16 N4 O2 S2 -","- C60 H64 N16 O8 S8 -","4","1","HR1001","Shin, Whanchul; Lim, Byung Chul","Thiamin Thiothiazolone Acetone Solvate, C~12~H~16~N~4~OS~2~.0.5C~3~H~6~O","Acta Crystallographica Section C","1995","51","2","315","318","10.1107/S0108270194003811","","","1.5418","CuKα","","","0.052","","","0.058","","","","","0.882","0.882","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010462","7.057","0.002","16.595","0.004","15.192","0.005","90","","100.01","0.02","90","","1752.1","0.9","294","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 Cd I4 N2 -","- C8 H14 Cd I4 N2 -","- C32 H56 Cd4 I16 N8 -","4","1","HR1003","Bailey, R.D.; Pennington, W.T.","Anhydrous 2,3,5,6-Tetramethylpyrazinium Tetraiodocadmate(II) and its Trihydrate, [C~8~H~12~N~2~(H)~2~][CdI~4~].<i>x</i>H~2~O (<i>x</i> = 0, 3)","Acta Crystallographica Section C","1995","51","2","226","229","10.1107/S0108270194005147","","","0.71073","MoKα","","","0.0559","","","0.075","","","","","2.14","2.14","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2010463","8.549","0.002","17.564","0.005","14.401","0.003","90","","105.35","0.02","90","","2085.2","0.9","294","1","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C8 H20 Cd I4 N2 O3 -","- C12 H30 Cd1.5 I6 N3 O4.5 -","- C48 H120 Cd6 I24 N12 O18 -","4","1","HR1003","Bailey, R.D.; Pennington, W.T.","Anhydrous 2,3,5,6-Tetramethylpyrazinium Tetraiodocadmate(II) and its Trihydrate, [C~8~H~12~N~2~(H)~2~][CdI~4~].<i>x</i>H~2~O (<i>x</i> = 0, 3)","Acta Crystallographica Section C","1995","51","2","226","229","10.1107/S0108270194005147","","","0.71073","MoKα","","","0.0677","","","0.09","","","","","2.5","2.5","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2010465","12.176","0.004","20.336","0.003","27.728","0.007","90","","90","","90","","6866","3","298","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H34 O3 P2 S W -","- C38 H34 O3 P2 S W -","- C304 H272 O24 P16 S8 W8 -","8","1","HR1013","Wang, H.-E.; Cheng, M.-C.; Peng, S.-M.; Liu, S.-T.","{2,2-Bis[(diphenylphosphino)methyl]-1-phenyl-thiopropane-<i>P</i>,<i>P</i>',<i>S</i>}tricarbonyltungsten(0)","Acta Crystallographica Section C","1995","51","2","198","200","10.1107/S0108270194007882","","","0.7107","MoKα","","","0.024","","","0.017","","","","","1.5","1.5","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010466","11.453","0.002","12.119","0.002","17.444","0.004","90","","90","","90","","2421.2","0.8","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Cd N2 O5 -","- C12 H10 Cd N2 O5 -","- C96 H80 Cd8 N16 O40 -","8","1","","Clegg, William; Cressey, Jonathan T.; McCamley, Andrew; Straughan, Brian P.","The Polymeric Structure of Aquacadmium Bisnicotinate","Acta Crystallographica Section C","1995","51","","234","235","","","","","","","","0.0207","","","0.0531","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2010467","8.184","0.005","12.363","0.004","7.101","0.002","94.93","0.03","94","0.04","77.34","0.04","697.5","0.5","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H14 Cl2 N6 O2 Zn -","- C8 H14 Cl2 N6 O2 Zn -","- C16 H28 Cl4 N12 O4 Zn2 -","2","1","HU1081","Okabe, N.; Kohyama, Y.; Ikeda, K.","A Zinc(II) Complex of Creatinine","Acta Crystallographica Section C","1995","51","2","222","224","10.1107/S0108270194010036","","","0.71069","MoKα","","","0.049","","","0.049","","","","","1.25","1.25","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010468","8.568","0.002","12.697","0.002","7.1759","0.0006","101.3","0.01","107.17","0.01","73.3","0.01","709.1","0.2","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H14 Cd Cl2 N6 O2 -","- C8 H14 Cd Cl2 N6 O2 -","- C16 H28 Cd2 Cl4 N12 O4 -","2","1","HU1089","Okabe, N.; Ikeda, K.; Kohyama, Y.; Sasaki, Y.","Dichlorobis(creatinine)cadmium(II)","Acta Crystallographica Section C","1995","51","2","224","226","10.1107/S0108270194010048","","","0.71069","MoKα","","","0.022","","","0.03","","","","","1.27","1.27","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010469","21.728","0.009","12.624","0.006","13.838","0.007","90","","113.8","0.04","90","","3473","3","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H54 Cl4 P2 Pd2 -","- C28 H44 Cl4 P2 Pd2 -","- C112 H176 Cl16 P8 Pd8 -","4","0.5","HU1114","Chaloner, P. A.; Dewa, S. Z.; Hitchcock, P. B.","<i>trans</i>-Di-μ-chloro-bis[chloro(tributylphosphine)palladium]","Acta Crystallographica Section C","1995","51","2","232","233","10.1107/S0108270194010255","","","0.71069","MoKα","","","0.035","","","0.046","","","","","1.4","1.4","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010470","11.118","0.002","6.167","0.003","12.296","0.002","90","","107.28","0.02","90","","805","0.4","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C8 H7 N O Se -","- C8 H7 N O Se -","- C32 H28 N4 O4 Se4 -","4","1","KA1040","Piatek, M.; Oleksyn, B.; Sliwinski, J.","2-Methyl-2<i>H</i>-1,2-benzisoselenazol-3-one","Acta Crystallographica Section C","1995","51","2","298","301","10.1107/S0108270193012983","","","1.5418","CuKα","","","0.033","","","0.047","","","","","1.204","1.204","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010471","8.161","0.001","8.222","0.001","23.113","0.002","93.46","0.02","96.88","0.02","113.43","0.02","1402.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","aurone","","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","2","","B. Satish Goud; Kaliyamoorthy Panneerselvam; David E. Zacharias; Gautam R. Desiraju","4,6-Dimethyl-2-(4-nitrobenzylidene)-3(2H)-benzofuranone","Acta Crystallographica Section C","1995","51","","265","267","","","","","","","","0.0576","","","0.1494","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010472","9.609","0.005","5.648","0.003","10.491","0.005","90","","91.63","0.04","90","","569.1","0.5","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N2 O4 Zn -","- C10 H14 N2 O4 Zn -","- C20 H28 N4 O8 Zn2 -","2","1","LI1042","Ng, C.-H.; Fun, H.-K.; Teo, S.-B.; Teoh, S.-G.; Chinnakali, K.","Bis(<small>L</small>-prolinato-<i>N</i>,<i>O</i>)zinc(II)","Acta Crystallographica Section C","1995","51","2","244","245","10.1107/S0108270194009340","","","0.71069","MoKα","","","0.0269","","","0.0362","","","","","0.96","0.96","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010473","6.281","0.004","7.613","0.005","27.78","0.02","90","","92.45","0.06","90","","1327.1","1.5","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C60 H52 N4 O16 -","4","1","LI1058","Li, Z.; Su, G.","2-Methoxy-5-(4-nitrostyryl)phenol","Acta Crystallographica Section C","1995","51","2","311","313","10.1107/S0108270194008668","","","0.71069","MoKα","","","0.066","","","0.077","","","","","1.91","1.91","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010474","11.358","0.002","25.591","0.005","13.497","0.002","90","","90","","90","","3923.1","1.2","295","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C39 H50 N5 O10 -","- C39 H50 N5 O10 -","- C156 H200 N20 O40 -","4","1","LI1098","Pakhomova, S.; Ondrack, M.; Kratochvil, B.; Jegporov, A.; Stuchlik, J.","Ergotamine Tartrate Bis(ethanol) Solvate","Acta Crystallographica Section C","1995","51","2","308","311","10.1107/S0108270194004233","","","0.71073","MoKα","","","0.047","","","0.047","","","","","0.8386","0.8386","","","","","has coordinates","190659","2020-10-21","18:00:00",""
"2010475","8.693","0.003","26.794","0.007","12.534","0.005","90","","93.08","0.03","90","","2915.2","1.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H14 N6 O -","- C17 H14 N6 O -","- C136 H112 N48 O8 -","8","2","LI1112","Palmer, R. A.; Janes, R. W.; Corper, A. L.; Lisgarten, J. N.; Hansen, H. C.","The Novel GABA~A~ Receptor Ligand NNC 14-0764: 5-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydrodiimidazo[1,5-<i>a</i>:1',2'-<i>c</i>]quinazoline","Acta Crystallographica Section C","1995","51","2","318","322","10.1107/S0108270194004166","","","1.54178","CuKα","","0.0417","0.0365","","0.1053","0.1014","","","","3.951","1","1","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010477","5.603","0.002","23.641","0.004","12.643","0.002","73.42","0.01","76.34","0.03","84.92","0.02","1559","1","286","","296","","","","","","","","","5","P -1","-P 1","2","","4-(Diphenylmethylimino-oxy)tetrafluoropyridine","","- C18 H10 F4 N2 O -","- C18 H10 F4 N2 O -","- C72 H40 F16 N8 O4 -","4","2","LI1121","Banks, R. E.; Jondi, W. J.; Pritchard, R. G.; Tipping, A. E.","Benzophenone O-4-(2,3,5,6-Tetrafluoro)pyridyloxime, Formed by 4-Substitution of Pentafluoropyridine by Benzophenone Oximate","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","291","293","10.1107/s0108270194009121","","","0.71069","MoKα","","","0.037","","","0.025","","","","","2.32","2.32","","","","","has coordinates","181319","2020-10-21","18:00:00",""
"2010478","9.958","0.003","9.961","0.004","12.978","0.006","90","0.03","90","0.03","90","0.03","1287.3","0.9","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O -","- C15 H24 O -","- C60 H96 O4 -","4","1","","Mukherjee, Monika; Mukherjee, Alok K.; Das, Sarbani; Mukherjee, Debabrata; Helliwell, Madeleine","(±)-7,7,9β-Trimethyl-6(αH)-cis-tricyclo[6.3.1.0^1,6^]dodecan-2-one.","Acta Crystallographica Section C","1995","51","","280","282","","","","","","","","0.0502","","","0.1217","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010479","8.582","0.002","8.996","0.002","15.357","0.003","94.9","0.01","93.27","0.01","117.59","0.01","1040","1","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H27 N3 O3 -","- C24 H27 N3 O3 -","- C48 H54 N6 O6 -","2","1","","Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene","Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane","Acta Crystallographica Section C","1995","51","","246","249","","","","","","","","0.038","","","0.05","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010480","15.518","0.002","16.427","0.002","8.46","0.001","90","","90","","90","","2157","2","293","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H27 N3 O3 -","- C24 H27 N3 O3 -","- C96 H108 N12 O12 -","4","1","","Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene","Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane","Acta Crystallographica Section C","1995","51","","246","249","","","","","","","","0.027","","","0.036","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010481","9.439","0.001","21.6","0.003","16.678","0.003","90","","94.71","0.01","90","","3388.9","0.9","293","1","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Br4 Mo N2 P -","- C34 H30 Br4 Mo N2 P -","- C136 H120 Br16 Mo4 N8 P4 -","4","1","MU1097","Brenčič, Jurij V.; Modec, Barbara; Yao, Zhengui","Tetraphenylphosphonium <i>cis</i>-Tetrabromobis(pyridine)molybdate(III)","Acta Crystallographica Section C","1995","51","2","197","198","10.1107/S0108270194007535","","","0.71069","MoKα","","","0.0248","","","0.0348","","","","","0.82","0.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010482","20.378","0.009","9.914","0.005","17.272","0.008","90","","103","0.06","90","","3400","3","293","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 Cl2 N4 O4 P Rh -","- C36 H34 Cl3 N4 O4 P Rh -","- C144 H136 Cl12 N16 O16 P4 Rh4 -","4","1","MU1107","Dunaj-Jurco, M.; Kettmann, V.; Steinborn, D.; Ludwig, M.","Bis(dimethylglyoximato)(phenylacetylido)(triphenylphosphine)rhodium(III) Dichloromethane, [Rh(C~4~H~7~N~2~O~2~)~2~(C~8~H~5~)(C~18~H~15~P)].CH~2~Cl~2~","Acta Crystallographica Section C","1995","51","2","210","213","10.1107/S010827019400586X","","","0.71069","MoKα","","","0.045","","","0.056","","","","","1.34","1.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010483","16.74","0.01","13.57","0.004","19.65","0.02","90","","113.22","0.09","90","","4102","6","296","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 B Co N4 O2 -","- C50 H44 B Co N4 O2 -","- C200 H176 B4 Co4 N16 O8 -","4","1","MU1116","Shi, Xiao-Hui; You, Xiao-Zeng; Li, Cun; Song, Bao-Lin; Li, Ting-Hao; Huang, Xiao-Ying","<i>trans</i>-[Co(salen)(py)~2~][BPh~4~]","Acta Crystallographica Section C","1995","51","2","206","207","10.1107/S0108270194009091","","","0.71069","MoKα","","","0.048","","","0.056","","","","","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010485","11.144","0.003","15.667","0.004","13.048","0.005","90","","96.32","0.03","90","","2264.2","1.2","140","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C40 H24 Cl2 Ir6 O14 P2 -","- C40 Cl2 Ir6 O14 P2 -","- C80 Cl4 Ir12 O28 P4 -","2","0.5","","Mazzanti, Marinella; Roulet, Raymond; Schenk, Kurt J.","Bis(diphenylphosphino)methanetetradecacarbonylhexairidium Dichloromethane Solvate","Acta Crystallographica Section C","1995","51","","217","219","","","","","","","","0.0951","","","0.2013","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010486","12.162","0.001","10.647","0.001","7.985","0.001","90","","92.441","0.005","90","","1033.03","0.18","293","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C H13 B10 Cs -","- C H13 B10 Cs -","- C4 H52 B40 Cs4 -","4","1","NA1091","Whitaker, Claire R.; Romerosa, Antonio; Teixidor, Francesc; Rius, Jordi","Cs[CB~10~H~13~] at 293 K","Acta Crystallographica Section C","1995","51","2","188","190","10.1107/S0108270194008139","","","0.71073","MoKα","","","0.042","","","0.051","","","","","2.47","2.47","","","","","has coordinates","191060","2020-10-21","18:00:00",""
"2010491","7.066","0.003","10.657","0.006","13.046","0.007","91.99","0.05","103.15","0.05","90.52","0.04","955.9","0.9","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H13 N5 S -","- C24 H13 N5 S -","- C48 H26 N10 S2 -","2","1","PA1062","Toupet, L.; Karl, N.","Non-Sinusoidal Structure of the 1:1 Complex of Phenothiazine and 7,7,8,8-Tetracyanoquinodimethane","Acta Crystallographica Section C","1995","51","2","249","251","10.1107/S0108270194008061","","","0.70926","MoKα","","","0.057","","","0.056","","","","","0.81","0.81","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010492","3.873","0.002","13.687","0.002","7.013","0.003","90","","92.94","0.06","90","","371.3","0.3","293","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H3 Cl2 N O2 -","- C6 H3 Cl2 N O2 -","- C12 H6 Cl4 N2 O4 -","2","0.5","PA1066","Bhar, Abdenbi; Aune, Jean Pierre; Benali-Cherif, Nourredine; Benmenni, Leila; Giorgi, Michel","Three Polychloromononitrobenzenes: C~6~H~3~Cl~2~NO~2~, C~6~H~2~Cl~3~NO~2~ and C~6~HCl~4~NO~2~","Acta Crystallographica Section C","1995","51","2","256","260","10.1107/S0108270194002957","","","0.71069","MoKα","","","0.046","","","0.059","","","","","2.024","2.024","","","","","has coordinates","205956","2020-10-21","18:00:00",""
"2010493","7.842","0.002","14.45","0.005","7.548","0.002","101.08","0.02","98.1","0.02","84.38","0.03","828.8","0.4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H2 Cl3 N O2 -","- C6 H2 Cl3 N O2 -","- C24 H8 Cl12 N4 O8 -","4","2","PA1066","Bhar, Abdenbi; Aune, Jean Pierre; Benali-Cherif, Nourredine; Benmenni, Leila; Giorgi, Michel","Three Polychloromononitrobenzenes: C~6~H~3~Cl~2~NO~2~, C~6~H~2~Cl~3~NO~2~ and C~6~HCl~4~NO~2~","Acta Crystallographica Section C","1995","51","2","256","260","10.1107/S0108270194002957","","","0.71069","MoKα","","","0.06","","","0.08","","","","","3.086","3.086","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010494","10.92","0.003","10.944","0.002","8.74","0.001","103.17","0.01","112.68","0.02","78.25","0.02","930.6","0.4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H Cl4 N O2 -","- C6 H Cl4 N O2 -","- C24 H4 Cl16 N4 O8 -","4","2","PA1066","Bhar, Abdenbi; Aune, Jean Pierre; Benali-Cherif, Nourredine; Benmenni, Leila; Giorgi, Michel","Three Polychloromononitrobenzenes: C~6~H~3~Cl~2~NO~2~, C~6~H~2~Cl~3~NO~2~ and C~6~HCl~4~NO~2~","Acta Crystallographica Section C","1995","51","2","256","260","10.1107/S0108270194002957","","","0.71069","MoKα","","","0.039","","","0.056","","","","","2.194","2.194","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010495","8.46","0.001","6.559","0.001","9.798","0.008","92.05","0.05","106.72","0.05","92.46","0.05","519.6","0.5","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 Cl2 Na2 O7 -","- C6 H6 Cl2 Na2 O7 -","- C12 H12 Cl4 Na4 O14 -","2","1","PA1086","Benchekroun, R.; Savariault, J.-M.","Sodium Chloranilate Trihydrate","Acta Crystallographica Section C","1995","51","2","186","188","10.1107/S010827019400301X","","","0.71069","MoKα","","","0.028","","","0.027","","","","","2.23","2.23","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010496","24.179","0.002","11.203","0.001","17.286","0.002","90","","125.62","0.01","90","","3806.3","0.8","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C152 H216 N8 O32 -","8","1","PA1101","Nurit, J.; Rambaud, J.; Pauvert, B.; Doumbia, O.; Térol, A.; Chevallet, P.; Declercq, J.-P.","Polymorph (II) of Methyl 3-(4-Ethoxy-α-hydroxyiminobenzyl)-1,2,2-trimethyl-cyclopentanecarboxylate","Acta Crystallographica Section C","1995","51","2","322","324","10.1107/S0108270194006013","","","1.54178","CuKα","","","0.058","","","0.088","","","","","1.53","1.53","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010499","9.109","0.003","16.546","0.005","15.703","0.005","90","","93.38","0.02","90","","2362.6","1.3","294","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H32 N4 O9 -","- C21 H32 N4 O9 -","- C84 H128 N16 O36 -","4","1","SH1070","Kasemann, O.; Stanetty, P.; Mereiter, K.","Decahydro-6,6-dimethoxy-1,2,2,4-tetramethylquinolinium Picrate","Acta Crystallographica Section C","1995","51","2","306","308","10.1107/S0108270194006992","","","0.71069","MoKα","","","0.06","","","0.057","","","","","1.93","1.93","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2010500","18.688","0.009","11.428","0.006","15.797","0.008","90","","90","","90","","3374","3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cis-5-Methyl-4-phenyl-3-(4-toluenesulfonyl)-1,3-oxazin-2-one","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C144 H152 N8 O32 S8 -","8","1","TA1011","Campi, Eva M.; Fallon, Gary D.; Holmes, Andrea; Perlmutter, Patrick; Teo, Chin C.","cis-5-Methyl-4-phenyl-3-(4-toluenesulfonyl)-1,3-oxazin-2-one","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","279","280","10.1107/S0108270194008838","","","1.5418","CuKα","","0.068","0.048","","0.106","0.058","","","","","0.772","0.772","","","","","has coordinates","190653","2020-10-21","18:00:00",""
"2019336","23.462","0.005","10.6","0.002","23.907","0.006","90","","102.08","0.02","90","","5814","2","295","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 F12 O4 -","- C10 H6 F12 O4 -","- C160 H96 F192 O64 -","16","2","","George, C.; Purdy, A.","1,3,5,7-Tetrakis(trifluoromethyl)-2,6-dioxabicyclo[3.3.0]octane-3,7-diol","Acta Crystallographica Section C Crystal Structure Communications","1995","51","3","445","","10.1107/S0108270194007511","","","0.71073","MoKα","","","0.058","","","0.048","","","","","1.25","1.25","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019337","12.397","0.005","8.277","0.004","15.169","0.006","90","","109.8","0.3","90","","1464","3","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 N2 O5 -","- C14 H9 F3 N2 O5 -","- C56 H36 F12 N8 O20 -","4","1","","McKinney, J. D.; Agarwal, S. C.; Padgett, W. T.; Lambert, G. R.; Singh, P.; Nesnow, S.","3,5-Dinitro-4-(4-trifluoromethylphenoxy)toluene, Conformationally Related to Thyroid Hormones","Acta Crystallographica Section C Crystal Structure Communications","1995","51","3","428","","10.1107/S0108270194005305","","","0.71073","MoKα","","","0.054","","","0.069","","","","","2","2","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019338","14.01","0.001","7.104","0.001","34.086","0.002","90","","90","","90","","3392.5","0.6","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","lumiflavine","Lumiflavinium (7,8,10-trimethylbenzo[g] pteridine-2,4(1H,3H)-dione) nitrate.","","- C13 H14 N6 O8 -","- C13 H13 N6 O8 -","- C104 H104 N48 O64 -","8","2","","Wouters, J.; Evrard, G.; Durant, F.","Lumiflavinium (7,8,10-Trimethylisoalloxazinium) Nitrate","Acta Crystallographica Section C Crystal Structure Communications","1995","51","6","1223","","10.1107/S0108270194014265","","","1.5406","CuKα","","0.079","0.054","","0.063","0.052","","","","","2.05","2.05","","","","","has coordinates","188723","2020-10-21","18:00:00",""
"2019343","8.903","0.002","9.594","0.002","14.175","0.003","79.15","0.02","84.86","0.01","76.05","0.03","1152.8","0.5","302","","","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cl2 Mn N4 O5 -","- C20 H18 Cl2 Mn N4 O9 -","- C40 H36 Cl4 Mn2 N8 O18 -","2","1","","Chen, X. M.; Shi, K. L.; Mak, T. C. W.; Luo, B. S.","Aquabis(2,2'-bipyridine)chloromanganese(II) Perchlorate","Acta Crystallographica Section C Crystal Structure Communications","1995","51","3","358","","10.1107/S0108270194005226","","","0.71073","MoKα","","","0.0486","","","0.0688","","","","","1.18","1.18","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019344","9.217","0.003","13.589","0.004","11.237","0.003","90","","92.47","0.02","90","","1406.1","0.7","173","1","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H35 N4 O11 P S -","- C23 H35 N4 O11 P S -","- C46 H70 N8 O22 P2 S2 -","2","1","","Szabó, T.; Stawinski, J.; Carlson, S.; Norrestam, R.","The SP Diastereomer of a Dinucleoside Methylphosphonate Methanol Solvate Containing Thymine and N3-Methyl-4-thiothymine Bases","Acta Crystallographica Section C Crystal Structure Communications","1995","51","3","411","","10.1107/S0108270194006281","","","0.71073","MoKα","","","0.044","","","0.054","","","","","1.76","1.76","","","","","has coordinates,has disorder","190974","2020-10-21","18:00:00",""
"2019345","8.641","0.001","7.236","0.001","7.337","0.001","107","0.1","84.4","0.1","96.8","0.1","434.7","0.3","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H18 Br2 N4 S2 Sn -","- C10 H18 Br2 N4 S2 Sn -","- C10 H18 Br2 N4 S2 Sn -","1","0.5","","Casas, J. S.; Sanchez Gonzalez, A.; Sordo, J.; Garcia Barros, F. J.; Valle, G.","Dibromodiethylbis(3H-imidazole-2-thione-S)tin(IV)","Acta Crystallographica Section C Crystal Structure Communications","1995","51","4","633","","10.1107/S0108270194004427","","","0.7107","MoKα","","","0.039","","","0.038","","","","","0.584","0.584","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019346","7.636","0.001","8.911","0.001","34.895","0.003","90","","90","","90","","2374.4","0.5","291","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C22 H39 N O6 S -","- C22 H39 N O6 S -","- C88 H156 N4 O24 S4 -","4","1","","Tinant, B.; Declercq, J. P.; Huart, C.","Absolute Configuration of N,N-{(1S)-1-[(1-Methoxy-1-methyl)ethyl]tetramethylene}(1R,6R,7R)-9,9-diethoxy-1-methyl-2-oxo-bicyclo[4.3.0]nonane-7-sulfonamide","Acta Crystallographica Section C Crystal Structure Communications","1995","51","4","678","","10.1107/S0108270194001678","","","1.54178","CuKα","","","0.058","","","0.067","","","","","0.59","0.59","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019347","17.67","0.005","16.554","0.006","14.753","0.003","90","","126.29","0.02","90","","3478","2","293","1","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N4 O8 Rh2 S2 -","- C34 H32 N4 O8 Rh2 S2 -","- C136 H128 N16 O32 Rh8 S8 -","4","0.5","","Lemoine, P.; Tomas, A.; Viossat, B.; Mettey, Y.; Vierfond, J. M.","Complexe entre un Carboxylate de Rhodium(II) et un Dérivé de la [1,4]Thiazépine: Synthèse et Structure Cristalline de Tétrakis(μ-acétato)bis{[11-aminodibenzo[b,f][1,4]thiazépine]rhodium(II)}(Rh—Rh)","Acta Crystallographica Section C Crystal Structure Communications","1995","51","3","377","","10.1107/S0108270194006773","","","0.7107","MoKα","","","0.0476","","","0.0476","","","","","5.7","5.7","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019350","12.973","0.002","12.572","0.002","18.993","0.002","90","","107.98","0.01","90","","2946.4","0.7","296","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H84 N6 O2 Se4 Tl2 -","- C52 H72 N6 O4 Se4 Tl2 -","- C104 H144 N12 O8 Se8 Tl4 -","2","0.5","","Zahn, G.; Franke, A.; Dietzsch, W.","Bis(tetra-n-butylammonium) Bis(μ-1,1-dicyanoethene-2,2-diselenolato)dithallate(I) Acetone Solvate, [(C4H9)4N]2[Tl2{Se2C=C(CN)2}2].2(CH3)2CO","Acta Crystallographica Section C Crystal Structure Communications","1995","51","5","854","","10.1107/S0108270194003562","","","0.71073","MoKα","","","0.0504","","","0.0474","","","","","1.52","1.52","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019351","7.906","0.009","12.076","0.008","12.35","0.01","92.88","0.05","100.55","0.08","90.78","0.08","1157.4","1.8","293","","","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H17 Cl4 N7 O P4 S -","- C10 H17 Cl4 N7 O P4 S -","- C20 H34 Cl8 N14 O2 P8 S2 -","2","1","","Diefenbach, U.; Stromburg, B.; Engelhardt, U.","Ein anorganischer Spirocyclus aus Cyclotriphosphazen und Phosphor(V)-Hydrazin-Heterocyclus mit Twist-Konformation","Acta Crystallographica Section C Crystal Structure Communications","1995","51","4","670","","10.1107/S0108270194001447","","","0.71069","MoKα","","","0.069","","","0.061","","","","","2.57","2.57","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2019363","6.937","0.002","15.32","0.002","23.423","0.003","90","","90","","90","","2489.3","0.8","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N O7 -","- C27 H27 N O7 -","- C108 H108 N4 O28 -","4","1","","Swamy, G. Y. S. K.; Ravikumar, K.; Rama Rao, A. V.; Gurjar, M. K.; Ramadevi, T.","An Oxazolidinone Derivative of D-Furanose","Acta Crystallographica Section C Crystal Structure Communications","1995","51","3","426","","10.1107/S0108270194003732","","","0.71063","MoKα","","","0.049","","","0.056","","","","","0.923","0.923","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019364","12.294","0.003","12.294","0.003","15.945","0.003","90","","90","","120","","2087.1","0.8","293","","","","","","","","","","","4","P 31","P 31","144","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C108 H90 N6 O12 -","6","2","","Seetharaman, J.; Rajan, S. S.","7,10-Dimethoxybenzo[b]carbazole","Acta Crystallographica Section C Crystal Structure Communications","1995","51","4","676","","10.1107/S0108270194005135","","","1.5418","CuKα","","","0.043","","","0.046","","","","","0.97","0.97","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2019365","8.876","0.003","9.55","0.001","10.465","0.003","97.25","0.02","107.37","0.03","100.24","0.02","817.8","0.4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Cl N4 O3 -","- C16 H18 Cl N4 O3 -","- C32 H36 Cl2 N8 O6 -","2","1","","Datta, M.; Hannan, S. S.; Talukdar, A. N.","6-Chloro-1-ethyl-1,4-dihydro-4-oxo-7-(4-methyl-1-piperazinyl)-1,8-naphthyridine-3-carboxylic Acid, C16H19ClN4O3","Acta Crystallographica Section C Crystal Structure Communications","1995","51","5","978","","10.1107/S0108270194004920","","","1.54178","CuKα","","","0.083","","","0.089","","","","","0.293","0.293","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2020048","14.883","","12.447","","12.56","","90","","90","","90","","2326.72","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Mn2.99 Al9.677","","- Al9.677 Mn2.99 -","- Al9.67667 Mn2.99 -","- Al116.12 Mn35.88 -","12","1.5","","Pavlyuk, V.V.; Gladyshevskii, R.E.; Yanson, T.I.; Bodak, O.; Cerny, R.; Yvon K.; Stepen'-Damm, Yu.","Structure refinement of orthorhombic Mn Al3","Acta Crystallographica C (39,1983-)","1995","51","","792","794","","","","","","","","","","","","","","","","","","","","","","has coordinates","151480","2020-10-21","18:00:00",""
"2101248","7.15889","0.00004","6.45529","0.00002","4.07818","0.00009","90","","101.053","0.0005","90","","184.967","0.004","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","","","","","- C4 D6 -","- C4 D6 -","- C8 D12 -","2","0.25","AN0505","Ibberson, R. M.; Prager, M.","The <i>Ab initio</i> crystal-structure determination of perdeuterodimethylacetylene by high-resolution neutron powder diffraction","Acta Crystallographica Section B","1995","51","1","71","76","10.1107/S0108768194006233","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101249","10.421","0.002","12.772","0.002","10.016","0.002","108.22","0.01","114.42","0.01","72.35","0.01","1129.4","0.4","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H21 O4 -","- C34 H18 O4 -","- C68 H36 O8 -","2","1","AS0665","Mori, Y.; Niwa, A.; Maeda, K.","Structural study of chromotropic [dibenzofuran]diones by X-ray structure analysis and MO calculation","Acta Crystallographica Section B","1995","51","1","61","65","10.1107/S0108768194003848","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101250","13.452","0.005","9.631","0.002","7.003","0.002","90","","90","","90","","907.3","0.5","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl5 Fe H2 K2 O -","- Cl5 Fe H2 K2 O -","- Cl20 Fe4 H8 K8 O4 -","4","0.5","CR0474","Schultz, A. J.; Carlin, R. L.","Single-crystal pulsed neutron diffraction structure of the antiferromagnet K~2~[FeCl~5~(H~2~O)] with and without applied pressure","Acta Crystallographica Section B","1995","51","1","43","47","10.1107/S0108768194008438","","neutron","0.7","neutron","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101251","13.391","0.004","9.648","0.002","6.942","0.002","90","","90","","90","","896.9","0.4","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl5 Fe H2 K2 O -","- Cl5 Fe H2 K2 O -","- Cl20 Fe4 H8 K8 O4 -","4","0.5","CR0474","Schultz, A. J.; Carlin, R. L.","Single-crystal pulsed neutron diffraction structure of the antiferromagnet K~2~[FeCl~5~(H~2~O)] with and without applied pressure","Acta Crystallographica Section B","1995","51","1","43","47","10.1107/S0108768194008438","","neutron","0.64","neutron","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101252","3.8271","0.0007","3.8271","0.0007","12.395","0.003","90","","90","","90","","181.55","0.06","","","","","","","","","","","","6","P 4/m m m","-P 4 2","","","","","- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -","- Ba2 Ca Cu2 O7 Tl4 -","- Ba2 Ca Cu2 O7 Tl4 -","1","0.0625","DU0384","Labbé, P.; Ledésert, M.; Maignan, A.; Martin, C.; Leligny, H.; Raveau, B.","Single crystal study of the `BaSr' 1212 superconductor Tl~1+<i>x~</i>BaSrCa~1{-~<i>x</i>}Cu~2~O~7{-~δ}","Acta Crystallographica Section B","1995","51","1","18","22","10.1107/S0108768194004829","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101253","3.8356","0.0007","3.8356","0.0007","12.39","0.003","90","","90","","90","","182.2","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","","","","","- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -","- Ba2 Ca Cu2 O7 Tl4 -","- Ba2 Ca Cu2 O7 Tl4 -","1","0.0625","DU0384","Labbé, P.; Ledésert, M.; Maignan, A.; Martin, C.; Leligny, H.; Raveau, B.","Single crystal study of the `BaSr' 1212 superconductor Tl~1+<i>x~</i>BaSrCa~1-<i>x~</i>Cu~2~O~7-δ~","Acta Crystallographica Section B","1995","51","1","18","22","10.1107/S0108768194004829","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101254","3.8234","0.0009","3.8234","0.0009","12.384","0.004","90","","90","","90","","181","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","","","","","- Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -","- Ba2 Ca Cu2 O7 Tl4 -","- Ba2 Ca Cu2 O7 Tl4 -","1","0.0625","DU0384","Labbé, P.; Ledésert, M.; Maignan, A.; Martin, C.; Leligny, H.; Raveau, B.","Single crystal study of the `BaSr' 1212 superconductor Tl~1+<i>x~</i>BaSrCa~1-<i>x~</i>Cu~2~O~7-δ~","Acta Crystallographica Section B","1995","51","1","18","22","10.1107/S0108768194004829","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101255","17.909","0.01","18.466","0.01","18.873","0.013","96.65","0.05","114.15","0.05","114.78","0.04","4850","7","293","2","293","2","","","","","","","","5","P 1","P 1","1","Balhimycin","","","- C67 H130 Cl2 N10 O53 -","- C67 H74 Cl2 N10 O52.75 -","- C134 H148 Cl4 N20 O105.5 -","2","2","HU0422","Sheldrick, G. M.; Paulus, E.; Vértesy, L.; Hahn, F.","Structure of ureido-balhimycin","Acta Crystallographica Section B","1995","51","1","89","98","10.1107/S0108768194010190","","","0.71073","MoKα","","0.0802","0.0536","","0.1423","0.1263","","","","1.041","1.119","1.119","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2101256","27.266","0.004","13.865","0.002","7.237","0.001","90","","90","","90","","2735.9","0.7","","","","","","","","","","","","3","P 21 21 2","P 2 2ab","","","","","- C29 H48 O4.5 -","- C44 H69 O6 -","- C176 H276 O24 -","4","1","NA0055","Candeloro De Sanctis, S.; Coiro, V. M.; Mazza, F.; Pochetti, G.","The inclusion compound of deoxycholic acid with (‒)-camphor: a structural and energetic study","Acta Crystallographica Section B","1995","51","1","81","89","10.1107/S0108768194008359","","","1.5405","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101257","15.94","0.004","4.714","0.002","35.436","0.005","90","","98.2","0.1","90","","2635.5","1.5","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H26 N O3.5 -","- C11 H26 N O3.5 -","- C88 H208 N8 O28 -","8","1","PA0295","Aigouy, T.; Costeseque, P.; Sempere, R.; Senac, T.; Jaud, J.; Anglerot, D.","Caractérisation structurale et évolution thermique de l'acide amino-11-undécanoïque (C~11~H~23~NO~2~.1,5H~2~O)","Acta Crystallographica Section B","1995","51","1","55","61","10.1107/S010876819400159X","","","1.9373","powder","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2101258","16.114","0.004","16.114","0.004","27.777","0.007","90","","90","","90","","7213","3","","","","","","","","","","","","6","I 41/a c d","-I 4bd 2c","","","","","- C2 H0.67 Cl21.34 I N4 P5 -","- C2 Cl22 I N4 P5 -","- C16 Cl176 I8 N32 P40 -","8","","SE0139","Belaj, F.","Structure and thermal motion of tetrakis(trichlorophosphazeno)phosphonium dichloroiodate(I), [P(NPCl~3~)~4~]^+^[ICl~2~]^{‒^}.2[(CCl~4~)~<i>x~</i>(CHCl~3~)~1{-~<i>x</i>}], <i>x</i> = 0.67 (2)","Acta Crystallographica Section B","1995","51","1","65","71","10.1107/S0108768194007019","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101259","14.5999","0.0006","3.8063","0.0002","14.9418","0.0008","90","","93.129","0.004","90","","829.1","0.07","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","","","","","- Bi2 O11 Ti4 -","- Bi2 O11 Ti4 -","- Bi8 O44 Ti16 -","4","0.5","SE0149","Kahlenberg, V.; Böhm, H.","The structures of α- and β-Bi~2~Ti~4~O~11~","Acta Crystallographica Section B","1995","51","1","11","18","10.1107/S0108768194004386","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101260","14.6412","0.0012","3.8032","0.0003","10.7824","0.0006","90","","136.135","0.005","90","","416.05","0.06","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","","","","","- Bi2 O11 Ti4 -","- Bi2 O11 Ti4 -","- Bi4 O22 Ti8 -","2","0.25","SE0149","Kahlenberg, V.; Böhm, H.","The structures of α- and β-Bi~2~Ti~4~O~11~","Acta Crystallographica Section B","1995","51","1","11","18","10.1107/S0108768194004386","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101261","7.49","","7.78","","11.66","","90","","90","","90","","679.454","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C6 H12 O6 -","- C3 H6 O3 -","- C24 H48 O24 -","8","2","SH0057","van Eijck, B. P.; Mooij, W. T. M.; Kroon, J.","Attempted prediction of the crystal structures of six monosaccharides","Acta Crystallographica Section B","1995","51","1","99","103","10.1107/S0108768194009651","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101262","6.05","","9.35","","11.87","","90","","90","","90","","671.456","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C6 H12 O6 -","- C3 H6 O3 -","- C24 H48 O24 -","8","2","SH0057","van Eijck, B. P.; Mooij, W. T. M.; Kroon, J.","Attempted prediction of the crystal structures of six monosaccharides","Acta Crystallographica Section B","1995","51","1","99","103","10.1107/S0108768194009651","","","0.71073","MoKa","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101263","12.692","0.005","12.692","0.005","19.186","0.009","90","","90","","120","","2676.5","1.9","290","","","","","","","","","","","4","P 32","P 32","145","","","","- H8 O10 S2 Sr -","- O10 S2 Sr -","- O120 S24 Sr12 -","12","4","SH1083","Fábry, J.","Structure redetermination of SrS~2~O~6~.4H~2~O","Acta Crystallographica Section B","1995","51","1","23","30","10.1107/S010876819400769X","","","0.71073","MoKα~1,2~","","","0.1109","","","0.0589","","","","","2.08","2.08","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101264","10.822","0.003","13.743","0.002","5.408","0.002","96.47","0.03","97.97","0.03","86.31","0.02","790.5","0.4","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H11 N O3 -","- C7.5 H13.5 N O3 -","- C30 H54 N4 O12 -","4","2","AB0328","Maurin, J. K.; Leś, A.; Winnicka-Maurin, M.","Resonance-assisted hydrogen bonds between oxime and carboxyl group. Comparison of tetrameric structures of 4-methyl-2-oxopentanoic acid oxime and levulinic acid oxime","Acta Crystallographica Section B","1995","51","2","232","240","10.1107/S0108768194011201","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101265","8.568","0.002","5.916","0.001","26.403","0.015","90","","92.39","0.01","90","","1337.2","0.9","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C5 H9 N O3 -","- C5 H9 N O3 -","- C40 H72 N8 O24 -","8","2","AB0328","Maurin, J. K.; Leś, A.; Winnicka-Maurin, M.","Resonance-assisted hydrogen bonds between oxime and carboxyl group. Comparison of tetrameric structures of 4-methyl-2-oxopentanoic acid oxime and levulinic acid oxime","Acta Crystallographica Section B","1995","51","2","232","240","10.1107/S0108768194011201","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101266","21.71","0.002","8.553","0.002","7.528","0.002","90","","95.73","0.01","90","","1390.9","0.5","120","","120","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","(E)-5,5'-dimethyl-1,1'-biindanylidene","","- C20 H20 -","- C20 H20 -","- C80 H80 -","4","0.5","AS0668","Ogawa, K.; Harada, J.; Tomoda, S.","Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes","Acta Crystallographica Section B","1995","51","2","240","248","10.1107/S010876819400950X","","","1.54184","CopperKα","","0.045","0.043","","0.057","0.057","","","","2.802","2.904","2.904","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101267","10.703","0.002","15.902","0.002","10.302","0.002","90.65","0.01","90.01","0.02","103.86","0.01","1702.2","0.5","296","","296","","","","","","","","","2","P -1","-P 1","2","","(E)-2,2,2',2'-tetramethyl-1,1'-biindanylidene","","- C22 H24 -","- C22 H24 -","- C88 H96 -","4","2","AS0668","Ogawa, K.; Harada, J.; Tomoda, S.","Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes","Acta Crystallographica Section B","1995","51","2","240","248","10.1107/S010876819400950X","","","1.54184","CopperKα","","0.141","0.056","","0.064","0.058","","","","1.262","1.642","1.642","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101268","10.555","0.001","15.815","0.002","10.206","0.001","90.47","0.01","90.14","0.01","103.64","0.01","1655.5","0.3","120","","120","","","","","","","","","2","P -1","-P 1","2","","(E)-2,2,2',2'-tetramethyl-1,1'-biindanylidene","","- C22 H24 -","- C22 H24 -","- C88 H96 -","4","2","AS0668","Ogawa, K.; Harada, J.; Tomoda, S.","Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes","Acta Crystallographica Section B","1995","51","2","240","248","10.1107/S010876819400950X","","","1.54184","CopperKα","","0.086","0.053","","0.064","0.059","","","","1.597","1.84","1.84","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101269","5.182","0.001","5.376","0.002","24.079","0.001","90","","93.42","0.02","90","","669.6","0.3","120","","120","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","(E)-4,4'-dimethyl-1,1'-biindanylidene","","- C20 H20 -","- C20 H20 -","- C40 H40 -","2","0.5","AS0668","Ogawa, K.; Harada, J.; Tomoda, S.","Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes","Acta Crystallographica Section B","1995","51","2","240","248","10.1107/S010876819400950X","","","1.54184","CopperKα","","0.047","0.045","","0.062","0.061","","","","3.359","3.485","3.485","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101270","5.225","0.003","5.42","0.002","24.26","0.002","90","","92.67","0.02","90","","686.3","0.5","296","","296","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","(E)-4,4'-dimethyl-1,1'-biindanylidene","","- C20 H20 -","- C20 H20 -","- C40 H40 -","2","0.5","AS0668","Ogawa, K.; Harada, J.; Tomoda, S.","Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes","Acta Crystallographica Section B","1995","51","2","240","248","10.1107/S010876819400950X","","","1.54184","CopperKα","","0.046","0.043","","0.053","0.052","","","","3.211","3.36","3.36","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101271","21.776","0.002","8.62","0.002","7.709","0.002","90","","95.22","0.02","90","","1441","0.5","296","","296","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","(E)-5,5'-dimethyl-1,1'-biindanylidene","","- C20 H20 -","- C20 H20 -","- C80 H80 -","4","0.5","AS0668","Ogawa, K.; Harada, J.; Tomoda, S.","Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes","Acta Crystallographica Section B","1995","51","2","240","248","10.1107/S010876819400950X","","","1.54184","CopperKα","","0.054","0.049","","0.058","0.057","","","","2.403","2.568","2.568","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101272","5.605","0.003","4.979","0.003","23.835","0.004","90","","92.58","0.04","90","","664.5","0.5","120","","120","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","(E)-6,6'-dimethyl-1,1'-biindanylidene","","- C20 H20 -","- C20 H20 -","- C40 H40 -","2","0.5","AS0668","Ogawa, K.; Harada, J.; Tomoda, S.","Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes","Acta Crystallographica Section B","1995","51","2","240","248","10.1107/S010876819400950X","","","1.54184","CopperKα","","0.046","0.045","","0.058","0.058","","","","4.327","4.444","4.444","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101273","5.627","0.002","5.05","0.002","23.987","0.003","90","","92.31","0.03","90","","681.1","0.4","296","","296","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","(E)-6,6'-dimethyl-1,1'-biindanylidene","","- C20 H20 -","- C20 H20 -","- C40 H40 -","2","0.5","AS0668","Ogawa, K.; Harada, J.; Tomoda, S.","Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes","Acta Crystallographica Section B","1995","51","2","240","248","10.1107/S010876819400950X","","","1.54184","CopperKα","","0.051","0.049","","0.065","0.065","","","","3.43","3.568","3.568","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101274","13.188","0.002","14.693","0.002","7.6702","0.0007","98.444","0.008","98.961","0.009","90.552","0.009","1451.4","0.3","120","","120","","","","","","","","","2","P -1","-P 1","2","","(E)-7,7'-dimethyl-1,1'-biindanylidene","","- C20 H20 -","- C20 H20 -","- C80 H80 -","4","2","AS0668","Ogawa, K.; Harada, J.; Tomoda, S.","Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes","Acta Crystallographica Section B","1995","51","2","240","248","10.1107/S010876819400950X","","","1.54184","CopperKα","","0.048","0.039","","0.046","0.044","","","","1.79","1.897","1.897","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101275","13.302","0.003","14.763","0.002","7.757","0.001","97.75","0.01","98.94","0.02","90.53","0.02","1490.3","0.4","296","","296","","","","","","","","","2","P -1","-P 1","2","","(E)-7,7'-dimethyl-1,1'-biindanylidene","","- C20 H20 -","- C20 H20 -","- C80 H80 -","4","2","AS0668","Ogawa, K.; Harada, J.; Tomoda, S.","Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes","Acta Crystallographica Section B","1995","51","2","240","248","10.1107/S010876819400950X","","","1.54184","CopperKα","","0.065","0.043","","0.05","0.048","","","","1.574","1.769","1.769","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101276","5.965","0.002","7.423","0.003","27.42","0.003","90","","99.22","0.01","90","","1198.4","0.6","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cl N -","- C28 H30 Cl2 N2 -","- C112 H120 Cl8 N8 -","4","1","BK0015","Haller, K. J.; Rae, A. D.; Heerdegen, A. P.; Hockless, D. C. R.; Welberry, T. R.","The fourfold disordered structures of <i>p</i>-chloro-<i>N</i>-(<i>p</i>-methylbenzylidene)aniline and <i>p</i>-methyl-<i>N</i>-(<i>p</i>-chlorobenzylidene)aniline","Acta Crystallographica Section B","1995","51","2","187","197","10.1107/S0108768194010748","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101277","5.971","0.002","7.411","0.003","13.731","0.002","90","","99.13","0.01","90","","599.9","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C14 H12 Cl N -","- C54 H60 Cl4 N4 -","- C108 H120 Cl8 N8 -","2","0.5","BK0015","Haller, K. J.; Rae, A. D.; Heerdegen, A. P.; Hockless, D. C. R.; Welberry, T. R.","The fourfold disordered structures of <i>p</i>-chloro-<i>N</i>-(<i>p</i>-methylbenzylidene)aniline and <i>p</i>-methyl-<i>N</i>-(<i>p</i>-chlorobenzylidene)aniline","Acta Crystallographica Section B","1995","51","2","187","197","10.1107/S0108768194010748","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101278","14.605","0.002","20.738","0.003","15.42","0.002","90","","90","","90","","4670.4","1.1","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- H12 O18 Si12 -","- H12 O18 Si12 -","- H96 O144 Si96 -","8","1","CR0477","Törnroos, K. W.; Bürgi, H.-B.; Calzaferri, G.; Bürgy, H.","The crystal and molecular structure of dodecahydridosilasesquioxane, H~12~Si~12~O~18~","Acta Crystallographica Section B","1995","51","2","155","161","10.1107/S0108768194013558","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101279","6.747","0.002","13.418","0.003","8.09","0.002","90","","99.01","0.03","90","","723.36","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","HA0135","Louër, D.; Louër, M.; Dzyabchenko, V. A.; Agafonov, V.; Ceolin, R.","Structure of a metastable phase of piracetami from X-ray powder diffraction using the atom–atom potential method","Acta Crystallographica Section B","1995","51","2","182","187","10.1107/S0108768194008840","","","1.5406","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101280","11.527","0.006","16.228","0.008","20.45","0.008","90","0.04","90","0.04","90","0.04","3825","3","103","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H21 F11 Sb2 -","- C13 H21 F11 Sb2 -","- C104 H168 F88 Sb16 -","8","1","HU0423","Laube, T.; Schaller, E.","Redetermination of the crystal structure of 3,5,7-trimethyl-1-adamantyl undecafluorodiantimonate(V)","Acta Crystallographica Section B","1995","51","2","177","181","10.1107/S0108768194012644","","","0.71069","MoKa","","0.0574","0.0452","","0.1289","0.1174","","","","0.995","1.034","1.034","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101281","7.242","0.002","7.991","0.003","8.38","0.003","61.98","0.03","63.4","0.03","82.09","0.03","381.2","0.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C14 H20 N4 O4 -","2","1","NA0060","Suwinska, K.","Structure and thermochemical properties of some alkyluracils","Acta Crystallographica Section B","1995","51","2","248","254","10.1107/S0108768194008529","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101282","4.107","0.001","9.806","0.001","20.994","0.002","90","","92.97","0.01","90","","844.4","0.2","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","1","NA0060","Suwinska, K.","Structure and thermochemical properties of some alkyluracils","Acta Crystallographica Section B","1995","51","2","248","254","10.1107/S0108768194008529","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101283","10.738","0.001","11.735","0.001","23.056","0.002","90","","90.91","0.02","90","","2904.9","0.4","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N2 O2 -","- C9 H14 N2 O2 -","- C108 H168 N24 O24 -","12","3","NA0060","Suwinska, K.","Structure and thermochemical properties of some alkyluracils","Acta Crystallographica Section B","1995","51","2","248","254","10.1107/S0108768194008529","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2101284","9.441","0.006","12.086","0.004","18.751","0.007","90","","100.53","0.04","90","","2103.5","1.7","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N2 O2 -","- C10 H16 N2 O2 -","- C80 H128 N16 O16 -","8","2","NA0060","Suwinska, K.","Structure and thermochemical properties of some alkyluracils","Acta Crystallographica Section B","1995","51","2","248","254","10.1107/S0108768194008529","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2101285","5.152","0.004","14.79","0.003","7.134","0.002","90","","106.14","0.04","90","","522.18","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O3 -","- C11 N2 O3 -","- C22 N4 O6 -","2","1","PA0296","Fkyerat, A.; Guelzim, A.; Baert, E.; Paulus, W.; Heger, G.; Zyss, J.; Périgaud, A.","Electron density study by X-ray and neutron diffraction of an NLO compound: <i>N</i>-(4-nitrophenyl)-<small>L</small>-prolinol. Description of quadratic hyperpolarizability","Acta Crystallographica Section B","1995","51","2","197","209","10.1107/S0108768194007391","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101286","5.164","0.002","14.796","0.008","7.108","0.005","90","","105.86","0.03","90","","522.4","0.5","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O3 -","- C11 H14 N2 O3 -","- C22 H28 N4 O6 -","2","1","PA0296","Fkyerat, A.; Guelzim, A.; Baert, E.; Paulus, W.; Heger, G.; Zyss, J.; Périgaud, A.","Electron density study by X-ray and neutron diffraction of an NLO compound: <i>N</i>-(4-nitrophenyl)-<small>L</small>-prolinol. Description of quadratic hyperpolarizability","Acta Crystallographica Section B","1995","51","2","197","209","10.1107/S0108768194007391","","neutron","0.8308","neutron","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101287","5.152","0.004","14.79","0.003","7.134","0.002","90","","106.14","0.04","90","","522.18","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O3 -","- C11 N2 O3 -","- C22 N4 O6 -","2","1","PA0296","Fkyerat, A.; Guelzim, A.; Baert, E.; Paulus, W.; Heger, G.; Zyss, J.; Périgaud, A.","Electron density study by X-ray and neutron diffraction of an NLO compound: <i>N</i>-(4-nitrophenyl)-<small>L</small>-prolinol. Description of quadratic hyperpolarizability","Acta Crystallographica Section B","1995","51","2","197","209","10.1107/S0108768194007391","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101288","12.88","0.004","13.916","0.003","15.059","0.001","90","","90","","90.13","","2699.1","1","","","","","","","","","","","","5","P 1 1 21","P 2c","4","","","","- C5 H30 Bi2 Cl11 N5 -","- C5 Bi2 Cl11 N5 -","- C20 Bi8 Cl44 N20 -","4","2","PA9295","Carpentier, P.; Lefebvre, J.; Jakubas, R.","Structure of pentakis(methylammonium) undecachlorodibismuthate(III), [NH~3~(CH~3~)]~5~Bi~2~Cl~11~, at 130 K and mechanism of the phase transitions","Acta Crystallographica Section B","1995","51","2","167","174","10.1107/S0108768194001564","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","205903","2020-10-21","18:00:00",""
"2101289","23.9","","15.6","","3.8","","90","","90","","90","","1416.79","","","","","","","","","","","","","3","P 1","P 1","1","","","","- C56 H88 S4 -","- C56 S4 -","- C56 S4 -","1","1","SE0143","Luzny, W.","X-ray diffraction and computer modelling study of the structure and conformation of poly(3-decylthiophene)","Acta Crystallographica Section B","1995","51","2","255","260","10.1107/S0108768194007986","","","1.54184","Cu","","","","","","","","","","","","","","","","warnings","has coordinates","278201","2022-09-27","00:27:37",""
"2101290","26.639","0.004","16.667","0.002","10.538","0.002","90","","90","","90","","4678.8","1.3","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H52 Cl6 In N3 O14 -","- C40 H53 Cl6 In N3 O14 -","- C160 H212 Cl24 In4 N12 O56 -","4","0.5","SE0148","Spengler, R.; Lange, J.; Zimmermann, H.; Burzlaff, H.; Veltsistas, P. G.; Karayannis, M. I.","Structure of C~36~H~52~Cl~6~InN~3~O~14~","Acta Crystallographica Section B","1995","51","2","174","177","10.1107/S010876819400563X","","","0.70926","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101291","5.8999","0.0008","7.8433","0.0012","15.685","0.004","90","","90","","90","","725.8","0.2","95","2","95","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","SE0154","Kouwijzer, M. L. C. E.; van Eijck, B. P.; Kooijman, H.; Kroon, J.","An extension of the <i>GROMOS</i> force field for carbohydrates, resulting in improvement of the crystal structure determination of α-<small>D</small>-galactose","Acta Crystallographica Section B","1995","51","2","209","220","10.1107/S0108768194011262","","","1.54184","CuKa","","0.0611","0.059","","0.1649","0.1634","","","","1.121","1.138","1.138","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101292","6.5949","0.0011","9.014","0.002","12.72","0.002","90","","90","","90","","756.2","0.2","95","2","95","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","SE0154","Kouwijzer, M. L. C. E.; van Eijck, B. P.; Kooijman, H.; Kroon, J.","An extension of the <i>GROMOS</i> force field for carbohydrates, resulting in improvement of the crystal structure determination of α-<small>D</small>-galactose","Acta Crystallographica Section B","1995","51","2","209","220","10.1107/S0108768194011262","","","0.71073","MoKa","","0.0549","0.0476","","0.1324","0.1286","","","","1.078","1.097","1.097","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101293","11.843","0.001","7.751","0.001","12.374","0.002","90","","95.11","0.01","90","","1131.4","0.3","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- Cl6 N2 O2 P2 S -","- Cl6 N2 O2 P2 S -","- Cl24 N8 O8 P8 S4 -","4","1","SE0160","Belaj, F.","Structure and thermal motion of sulfonylbis(phosphorimidic trichloride), So~2~(NPCl~3~)~2~ at 100 K","Acta Crystallographica Section B","1995","51","2","161","166","10.1107/S0108768194011250","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101294","8.358","0.0011","13.8976","0.0017","15.5915","0.0012","90","","90","","90","","1811","0.4","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-Biphenyldiphenylmethanol","4-Biphenyldiphenylmethanol","","- C25 H20 O -","- C25 H20 O -","- C100 H80 O4 -","4","1","AB0331","Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J.","Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol","Acta Crystallographica Section B","1995","51","3","367","377","10.1107/S0108768194013984","","","0.71069","MolybdenumKα","","0.095","0.032","","0.048","0.04","","","","","1.09","1.09","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101295","8.1899","0.0008","14.855","0.002","11.6069","0.0015","90","","96.344","0.008","90","","1403.5","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diphenyl(2-pyridyl)methanol","Diphenyl(2-pyridyl)methanol","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","AB0331","Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J.","Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol","Acta Crystallographica Section B","1995","51","3","367","377","10.1107/S0108768194013984","","","0.71069","MolybdenumKα","","0.172","0.049","","0.074","0.058","","","","","1.46","1.46","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101296","5.9794","0.0012","9.953","0.003","26.42","0.003","90","","91.365","0.012","90","","1571.9","0.6","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,1,3-triphenylpropyn-1-ol","1,1,3-triphenylpropyn-1-ol","","- C21 H16 O -","- C21 H16 O -","- C84 H64 O4 -","4","1","AB0331","Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J.","Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol","Acta Crystallographica Section B","1995","51","3","367","377","10.1107/S0108768194013984","","","0.71069","MolybdenumKα","","0.1767","0.0385","","0.0863","0.0689","","","","0.803","1.172","1.172","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101297","13.9232","0.0017","13.9232","0.0017","12.02","0.0019","90","","90","","120","","2018","0.5","293","","293","","","","","","","","","3","P 3 1 c","P 3 -2c","159","2-Methyl-1,1-diphenylpropan-1-ol","2-Methyl-1,1-diphenylpropan-1-ol","","- C16 H18 O -","- C16 H18 O -","- C96 H108 O6 -","6","1","AB0331","Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J.","Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol","Acta Crystallographica Section B","1995","51","3","367","377","10.1107/S0108768194013984","","","0.71069","MolybdenumKα","","0.081","0.031","","0.051","0.04","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101298","26.113","0.003","26.113","0.003","9.788","0.003","90","","90","","120","","5780","2","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","Bis(pentafluorophenyl)methanol","Bis(pentafluorophenyl)methanol","","- C13 H2 F10 O -","- C13 H2 F10 O -","- C234 H36 F180 O18 -","18","1","AB0331","Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J.","Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol","Acta Crystallographica Section B","1995","51","3","367","377","10.1107/S0108768194013984","","","0.71069","MolybdenumKα","","0.1157","0.0675","","0.2376","0.2136","","","","1.093","1.443","1.443","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2101299","26.006","0.004","26.006","0.004","9.5941","0.0011","90","","90","","120","","5619.3","1.4","173","","173","","","","","","","","","4","R -3 :H","-R 3","148","Bis(pentafluorophenyl)methanol","Bis(pentafluorophenyl)methanol","","- C13 H2 F10 O -","- C13 H2 F10 O -","- C234 H36 F180 O18 -","18","1","AB0331","Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J.","Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol","Acta Crystallographica Section B","1995","51","3","367","377","10.1107/S0108768194013984","","","0.71069","MolybdenumKα","","0.1431","0.0724","","0.2084","0.1617","","","","1.027","1.137","1.137","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2101300","5.13","0.001","18.65","0.005","21.168","0.006","90","","90","","90","","2025.2","0.9","293","","293","","","","","","","","","3","P 2 21 21","P 2bc 2","18","Diphenylmethanol","Diphenylmethanol","","- C13 H12 O -","- C13 H12 O -","- C104 H96 O8 -","8","2","AB0331","Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J.","Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol","Acta Crystallographica Section B","1995","51","3","367","377","10.1107/S0108768194013984","","","0.71069","MolybdenumKα","","0.066","0.035","","0.056","0.052","","","","","1.61","1.61","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101301","15.301","0.002","5.7117","0.0008","11.2462","0.0013","90","","110.873","0.01","90","","918.4","0.2","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C9 H9 Cl O3 -","- C9 H9 Cl O3 -","- C36 H36 Cl4 O12 -","4","1","AB0332","Larsen, S.; Marthi, K.","Structures of racemic halogen-substituted 3-hydroxy-3-phenylpropionic acids; relations between spontaneously resolved and racemic compounds","Acta Crystallographica Section B","1995","51","3","338","346","10.1107/S0108768194011663","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101302","15.498","0.003","5.7513","0.0012","11.298","0.002","90","","111.28","0.014","90","","938.4","0.3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C9 H9 Br O3 -","- C9 H9 Br O3 -","- C36 H36 Br4 O12 -","4","1","AB0332","Larsen, S.; Marthi, K.","Structures of racemic halogen-substituted 3-hydroxy-3-phenylpropionic acids; relations between spontaneously resolved and racemic compounds","Acta Crystallographica Section B","1995","51","3","338","346","10.1107/S0108768194011663","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101303","5.431","0.001","7.546","0.001","12.095","0.002","90","","93.42","0.01","90","","494.8","0.14","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H16 N2 O4 -","- C7 H16 N2 O4 -","- C14 H32 N4 O8 -","2","1","AS0672","Suresh, S.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XXVIII. Recurrence of characteristic aggregation and interaction patterns in the crystal structures of <small>DL</small>- and <small>L</small>-lysine formate","Acta Crystallographica Section B","1995","51","3","353","358","10.1107/S0108768194013546","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101304","10.205","0.002","11.152","0.002","8.481","0.001","90","","97.51","0.01","90","","956.9","0.3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C7 H16 N2 O4 -","- C7 H16 N2 O4 -","- C28 H64 N8 O16 -","4","1","AS0672","Suresh, S.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XXVIII. Recurrence of characteristic aggregation and interaction patterns in the crystal structures of <small>DL</small>- and <small>L</small>-lysine formate","Acta Crystallographica Section B","1995","51","3","353","358","10.1107/S0108768194013546","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101305","13.619","0.009","5.232","0.002","6.062","0.003","90","","97.56","0.04","90","","428.2","0.4","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H11 N O4 -","- C9 H11 N O4 -","- C18 H22 N2 O8 -","2","1","CR0467","Howard, S. T.; Hursthouse, M. B.; Lehmann, C. W.; Poyner, E. A.","Experimental and theoretical determination of electronic properties in <small>L</small>-dopa","Acta Crystallographica Section B","1995","51","3","328","337","10.1107/S0108768194011407","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101306","8.458","","9.234","","5.07","","90","","90","","90","","395.973","","","","","","","","","","","","","3","A m a 2","A 2 -2a","","","","","- Al2 O4 Pb -","- Al4 O8 Pb2 -","- Al8 O16 Pb4 -","2","0.25","CR0484","Marsh, R. E.; Bernal, I.","More space-group changes","Acta Crystallographica Section B","1995","51","3","300","307","10.1107/S0108768194011857","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101307","8.575","","9.424","","5.22","","90","","90","","90","","421.832","","","","","","","","","","","","","3","A m a 2","A 2 -2a","","","","","- Ga2 O4 Pb -","- Ga4 O8 Pb2 -","- Ga8 O16 Pb4 -","2","0.25","CR0484","Marsh, R. E.; Bernal, I.","More space-group changes","Acta Crystallographica Section B","1995","51","3","300","307","10.1107/S0108768194011857","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101308","22.869","","13.198","","26.775","","90","","107.96","","90","","7687.58","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","","","","","- C45 H86 Br10 In4 N4 Ni6 O11 -","- C45 H86 Br10 In4 N4 Ni6 O11 -","- C180 H344 Br40 In16 N16 Ni24 O44 -","4","0.5","CR0484","Marsh, R. E.; Bernal, I.","More space-group changes","Acta Crystallographica Section B","1995","51","3","300","307","10.1107/S0108768194011857","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","191866","2020-10-21","18:00:00",""
"2101309","11.427","","19.832","","13.674","","89.99","","101.36","","89.99","","3038.1","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","","","","","- H9.5 K2.5 O26 Pt W6 -","- K6 O48 Pt W12 -","- K24 O192 Pt4 W48 -","4","0.5","CR0484","Marsh, R. E.; Bernal, I.","More space-group changes","Acta Crystallographica Section B","1995","51","3","300","307","10.1107/S0108768194011857","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101310","7.217","0.001","7.217","0.001","34.553","0.007","90","","90","","90","","1799.7","0.5","","","","","","","","","","","","5","P 43 21 2","P 41n 2abw","","","","","- C14 H26 Cu N2 O9 -","- C14 H32 Cu N2 O10 -","- C56 H128 Cu4 N8 O40 -","4","0.5","CR0484","Marsh, R. E.; Bernal, I.","More space-group changes","Acta Crystallographica Section B","1995","51","3","300","307","10.1107/S0108768194011857","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101311","12.717","","12.206","","7.717","","90","","90","","90","","1197.86","","","","","","","","","","","","","5","A m a 2","A 2 -2a","","","","","- C6 H16 Co N5 O7 -","- C6 H16 Co N5 O7 -","- C24 H64 Co4 N20 O28 -","4","0.5","CR0484","Marsh, R. E.; Bernal, I.","More space-group changes","Acta Crystallographica Section B","1995","51","3","300","307","10.1107/S0108768194011857","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101312","25.735","0.006","11.124","0.003","11.461","0.003","90","","90","","90","","3281","1.5","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H10 Cl2 N3 Ni O14 -","- C22 H48 N8 Ni2 O24 -","- C88 H192 N32 Ni8 O96 -","4","0.5","CR0484","Marsh, R. E.; Bernal, I.","More space-group changes","Acta Crystallographica Section B","1995","51","3","300","307","10.1107/S0108768194011857","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101313","9.5452","0.0008","19.459","0.002","7.6611","0.0008","90","","90.758","0.008","90","","1422.8","0.2","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- Ba2 H24 O28 P8 Pt2 -","- Ba2 O28 P8 Pt2 -","- Ba4 O56 P16 Pt4 -","2","0.5","CR0484","Marsh, R. E.; Bernal, I.","More space-group changes","Acta Crystallographica Section B","1995","51","3","300","307","10.1107/S0108768194011857","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101314","7.886","0.004","19.278","0.008","7.869","0.004","90","","112.8","0.1","90","","1102.8","1.2","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- Ba3 P4 Sn2 -","- Ba3 P4 Sn2 -","- Ba12 P16 Sn8 -","4","1","CR0484","Marsh, R. E.; Bernal, I.","More space-group changes","Acta Crystallographica Section B","1995","51","3","300","307","10.1107/S0108768194011857","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101315","10.593","0.001","12.454","0.001","7.923","0.001","102.64","0.01","107.4","0.01","83.68","0.01","972.12","0.18","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H25 Cu N3 O16 -","- C14 Cu N3 O10 -","- C28 Cu2 N6 O20 -","2","1","CR0484","Marsh, R. E.; Bernal, I.","More space-group changes","Acta Crystallographica Section B","1995","51","3","300","307","10.1107/S0108768194011857","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101316","7.261","","7.261","","110.58","","90","","90","","120","","5048.94","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","","","","","- Cs6 O36 W11 -","- Cs6 O36 W11 -","- Cs36 O216 W66 -","6","0.166667","CR0484","Marsh, R. E.; Bernal, I.","More space-group changes","Acta Crystallographica Section B","1995","51","3","300","307","10.1107/S0108768194011857","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101317","37.097","","37.097","","37.097","","90","","90","","90","","51052.4","","","","","","","","","","","","","3","R -3 cr {rhombohedral axes}","-P 3* 2n","","","","","- Cs6 O36 W11 -","- Cs18 O36 W18 -","- Cs36 O72 W36 -","2","","CR0484","Marsh, R. E.; Bernal, I.","More space-group changes","Acta Crystallographica Section B","1995","51","3","300","307","10.1107/S0108768194011857","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101318","5.7704","0.0003","10.0712","0.0009","7.4776","0.0004","90","","90","","90","","434.56","0.05","296","","296","","","","","","","","","3","P m c n","-P 2n 2a","62","","Dipotassium sulfate","","- K2 O4 S -","- K2 O4 S -","- K8 O16 S4 -","4","0.5","OH0048","Ojima, K.; Nishihata, Y.; Sawada, A.","Structure of potassium sulfate at temperatures from 296 K down to 15 K","Acta Crystallographica, Section B: Structural Science","1995","51","3","287","293","10.1107/S0108768194013327","","","0.70926","Mo","","0.036","","","","","","","","","","","","","","","has coordinates","209648","2020-10-21","18:00:00",""
"2101319","5.7503","0.0004","10.0395","0.0006","7.4513","0.0007","90","","90","","90","","430.16","0.06","200","","200","","","","","","","","","3","P m c n","-P 2n 2a","62","","Dipotassium sulfate","","- K2 O4 S -","- K2 O4 S -","- K8 O16 S4 -","4","0.5","OH0048","Ojima, K.; Nishihata, Y.; Sawada, A.","Structure of potassium sulfate at temperatures from 296 K down to 15 K","Acta Crystallographica, Section B: Structural Science","1995","51","3","287","293","10.1107/S0108768194013327","","","0.70926","Mo","","0.029","","","","","","","","","","","","","","","has coordinates","209647","2020-10-21","18:00:00",""
"2101320","5.7303","0.0006","10.01","0.001","7.4291","0.0006","90","","90","","90","","426.14","0.07","100","","100","","","","","","","","","3","P m c n","-P 2n 2a","62","","Dipotassium sulfate","","- K2 O4 S -","- K2 O4 S -","- K8 O16 S4 -","4","0.5","OH0048","Ojima, K.; Nishihata, Y.; Sawada, A.","Structure of potassium sulfate at temperatures from 296 K down to 15 K","Acta Crystallographica, Section B: Structural Science","1995","51","3","287","293","10.1107/S0108768194013327","","","0.70926","Mo","","0.029","","","","","","","","","","","","","","","has coordinates","209647","2020-10-21","18:00:00",""
"2101321","5.7224","0.0005","10","0.001","7.4226","0.0006","90","","90","","90","","424.73","0.07","50","","50","","","","","","","","","3","P m c n","-P 2n 2a","62","","Dipotassium sulfate","","- K2 O4 S -","- K2 O4 S -","- K8 O16 S4 -","4","0.5","OH0048","Ojima, K.; Nishihata, Y.; Sawada, A.","Structure of potassium sulfate at temperatures from 296 K down to 15 K","Acta Crystallographica, Section B: Structural Science","1995","51","3","287","293","10.1107/S0108768194013327","","","0.70926","Mo","","0.022","","","","","","","","","","","","","","","has coordinates","209647","2020-10-21","18:00:00",""
"2101322","5.7226","0.0004","9.9985","0.0004","7.4218","0.0004","90","","90","","90","","424.66","0.04","15","","15","","","","","","","","","3","P m c n","-P 2n 2a","62","","Dipotassium sulfate","","- K2 O4 S -","- K2 O4 S -","- K8 O16 S4 -","4","0.5","OH0048","Ojima, K.; Nishihata, Y.; Sawada, A.","Structure of potassium sulfate at temperatures from 296 K down to 15 K","Acta Crystallographica, Section B: Structural Science","1995","51","3","287","293","10.1107/S0108768194013327","","","0.70926","Mo","","0.025","","","","","","","","","","","","","","","has coordinates","209647","2020-10-21","18:00:00",""
"2101323","10.479","0.001","15.751","0.001","19.177","0.001","90","","110.2","0.01","90","","2970.6","0.4","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C30 H42 Ag N3 O8 -","- C30 H40 Ag N4 O10 -","- C120 H160 Ag4 N16 O40 -","4","1","PA0297","Andrianatoandro, H.; Barrans, Y.; Marsau, P.; Desvergne, J.-P.; Fages, F.; Bouas-Laurent, H.","Two 9,10-anthracenocryptand silver(I) nitrate complexes. Fluorescence modulated by Ag^+^ as a function of the geometry of the complex","Acta Crystallographica Section B","1995","51","3","293","300","10.1107/S0108768194011572","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101324","34.545","0.001","10.035","0.001","38.188","0.002","90","","98.83","0.01","90","","13081.3","1.6","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C32 H45 Ag N3 O7.5 -","- C32 H44 Ag N3 O8 -","- C512 H704 Ag16 N48 O128 -","16","2","PA0297","Andrianatoandro, H.; Barrans, Y.; Marsau, P.; Desvergne, J.-P.; Fages, F.; Bouas-Laurent, H.","Two 9,10-anthracenocryptand silver(I) nitrate complexes. Fluorescence modulated by Ag^+^ as a function of the geometry of the complex","Acta Crystallographica Section B","1995","51","3","293","300","10.1107/S0108768194011572","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101325","20.23","0.006","18.921","0.005","8.205","0.003","90","","90","","90","","3140.6","1.7","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C31 H23 Cl O13 -","- C31 H22 Cl O13 -","- C124 H88 Cl4 O52 -","4","1","PA0299","Prangé, T.; Neuman, A.; Milat, M.-L.; Blein, J. P.","The yellow toxins produced by <i>Cercospora beticola</i>. V. Structure of beticolins 2 and 4","Acta Crystallographica Section B","1995","51","3","308","314","10.1107/S0108768194006063","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","190627","2020-10-21","18:00:00",""
"2101326","20.585","0.005","18.721","0.004","8.206","0.003","90","","90","","90","","3162.4","1.5","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C31 H23 Cl O14 -","- C31 H13 Cl O14 -","- C124 H52 Cl4 O56 -","4","1","PA0299","Prangé, T.; Neuman, A.; Milat, M.-L.; Blein, J. P.","The yellow toxins produced by <i>Cercospora beticola</i>. V. Structure of beticolins 2 and 4","Acta Crystallographica Section B","1995","51","3","308","314","10.1107/S0108768194006063","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101327","10.3796","0.0005","14.5809","0.0005","17.1521","0.0009","105.225","0.003","96.14","0.005","90.248","0.003","2489","0.2","","","","","","","","","","","","4","P 1","P 1","1","","","","- C46 H80 N4 O14 -","- C46 N4 O14 -","- C92 N8 O28 -","2","2","SE0165","Sheldrick, G. M.; Kojić-Prodić, B.; Banić, Z.; Kobrehel, G.; Kujundzić, N.","Structure of 9-deoxo-9a-<i>N</i>-[<i>N</i>'-(4-pyridyl)-carbamoyl]-9a-aza-9a-homoerythromycin A and conformational analysis of analogous 9a-aza 15-membered azalides in the solid state","Acta Crystallographica Section B","1995","51","3","358","366","10.1107/S0108768194012796","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2101328","2.2853","0.0003","2.2853","0.0003","3.5842","0.0002","90","","90","","120","","16.211","0.003","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","","","","","- B17 Be N2 -","- B17 Be N2 -","- B34 Be2 N4 -","2","0.0833333","AB0327","Iversen, B. B.; Larsen, F. K.; Souhassou, M.; Takata, M.","Experimental evidence for the existence of non-nuclear maxima in the electron-density distribution of metallic beryllium. A comparative study of the maximum entropy method and the multipole refinement method","Acta Crystallographica Section B","1995","51","4","580","591","10.1107/S0108768194010360","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101329","9.048","0.0009","12.6658","0.0013","9.6516","0.0008","90","","94.344","0.007","90","","1102.9","0.18","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 O2 -","- C16 H10 O2 -","- C64 H40 O8 -","4","1","HR0026","Destro, R.; Merati, F.","Bond lengths, and beyond","Acta Crystallographica Section B","1995","51","4","559","570","10.1107/S0108768195005088","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101330","28.9","0.002","8.747","0.003","7.585","0.001","90","","90","","90","","1917.4","0.7","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C16 H24 Br2 N2 O3 -","- C16 H24 Br2 N2 O3 -","- C64 H96 Br8 N8 O12 -","4","1","AB0336","Stensland, B.; Csöregh, I.; Högberg, T.","Conformation of the two potential antipsychotic agents (‒)-(<i>S</i>)-3-bromo-5,6-dimethoxy-<i>N</i>-[(1-ethyl-2-pyrrolidinyl)methyl]benzamide, FLB 457, and its 2-hydroxy analogue, FLB 463","Acta Crystallographica Section B","1995","51","5","847","856","10.1107/S0108768195001790","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101331","15.264","0.005","8.087","0.004","8.541","0.003","90","","93.44","0.05","90","","1052.4","0.7","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H27 Br N2 O7 S -","- C17 H27 Br N2 O7 S -","- C34 H54 Br2 N4 O14 S2 -","2","1","AB0336","Stensland, B.; Csöregh, I.; Högberg, T.","Conformation of the two potential antipsychotic agents (‒)-(<i>S</i>)-3-bromo-5,6-dimethoxy-<i>N</i>-[(1-ethyl-2-pyrrolidinyl)methyl]benzamide, FLB 457, and its 2-hydroxy analogue, FLB 463","Acta Crystallographica Section B","1995","51","5","847","856","10.1107/S0108768195001790","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101332","5.549","0.001","5.033","0.001","21.548","0.004","90","","89.22","0.01","90","","601.7","0.2","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C7 H7 N O -","- C7 H7 N O -","- C28 H28 N4 O4 -","4","1","BK0008","Ruble, J. R.; Galvao, A.","Electrostatic potentials from charge-density studies of benzamide at 123 K","Acta Crystallographica Section B","1995","51","5","835","838","10.1107/S0108768194014102","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101333","4.0355","0.0001","16.7566","0.0002","10.2335","0.0001","82.49","0.01","81.12","0.01","91.1","0.02","677.3","0.03","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Ag N2 O8 S8 -","- C22 H16 Ag N2 O8 S8 -","- C22 H16 Ag N2 O8 S8 -","1","0.5","BK0014","Li, R.; Petrícek, V.; Cisarova, I.; Coppens, P.","Analysis of the diffraction pattern of a twinned crystal of (3,4;3',4'-bis(ethylenedioxo)-2,2',5,5'-tetrathiafulvalene)~2~.Ag(CN)~2~","Acta Crystallographica Section B","1995","51","5","798","802","10.1107/S0108768194014011","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101334","12.918","0.004","37.899","0.007","8.487","0.002","90","","90","","90","","4155.1","1.8","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H19 Cl3 Cu F12 S16 -","- C26 H19 Cl3 Cu F12 S16 -","- C104 H76 Cl12 Cu4 F48 S64 -","4","0.5","BK0021","Geiser, U.; Schlueter, J. A.; Williams, J. M.; Naumann, D.; Roy, T.","Anion disorder in the 115–118 K structures of the organic superconductors κ~<i>L~</i>-(BEDT-TTF)~2~Cu(CF~3~)~4~(C~2~H~3~Cl~3~) and κ~<i>L~</i>-(BEDT-TTF)~2~Ag(CF~3~)~4~(C~2~H~3~Cl~3~) [BEDT-TTF=3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene]","Acta Crystallographica Section B","1995","51","5","789","797","10.1107/S0108768195000401","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101335","12.936","0.004","37.976","0.008","8.526","0.002","90","","90","","90","","4188.5","1.8","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H19 Ag Cl3 F12 S16 -","- C26 H19 Ag0.5 Cl3 F12 S16 -","- C104 H76 Ag2 Cl12 F48 S64 -","4","0.5","BK0021","Geiser, U.; Schlueter, J. A.; Williams, J. M.; Naumann, D.; Roy, T.","Anion disorder in the 115–118 K structures of the organic superconductors κ~<i>L~</i>-(BEDT-TTF)~2~Cu(CF~3~)~4~(C~2~H~3~Cl~3~) and κ~<i>L~</i>-(BEDT-TTF)~2~Ag(CF~3~)~4~(C~2~H~3~Cl~3~) [BEDT-TTF=3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene]","Acta Crystallographica Section B","1995","51","5","789","797","10.1107/S0108768195000401","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101336","8.226","0.003","8.393","0.003","13.878","0.006","85.28","0.03","74.54","0.03","87.96","0.03","920.3","0.6","294","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H38 I6 N6 -","- C24 H44 I6 N6 -","- C24 H44 I6 N6 -","1","0.5","BK1013","Bailey, R. D.; Pennington, W. T.","Tetramethylpyrazinium polyiodides","Acta Crystallographica Section B","1995","51","5","810","815","10.1107/S0108768194011778","","","0.71073","MoKα","","","0.0333","","","0.0461","","","","","1.33","1.33","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101337","7.679","0.002","12.52","0.004","10.774","0.003","90","","100.6","0.02","90","","1018.1","0.5","294","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 I6 N4 O4 -","- C32 H40 I6 N4 O4 -","- C32 H40 I6 N4 O4 -","1","0.25","BK1013","Bailey, R. D.; Pennington, W. T.","Tetramethylpyrazinium polyiodides","Acta Crystallographica Section B","1995","51","5","810","815","10.1107/S0108768194011778","","","0.71073","MoKα","","","0.0859","","","0.0979","","","","","2.69","2.69","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101338","8.206","0.001","9.228","0.002","13.936","0.002","77.76","0.02","85.23","0.01","65.88","0.01","941.3","0.3","294","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H15 I5 N2 O -","- C8 H20 I5 N2 O -","- C16 H40 I10 N4 O2 -","2","1","BK1013","Bailey, R. D.; Pennington, W. T.","Tetramethylpyrazinium polyiodides","Acta Crystallographica Section B","1995","51","5","810","815","10.1107/S0108768194011778","","","0.71073","MoKα","","","0.0482","","","0.063","","","","","1.74","1.74","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101339","16.763","0.001","10.1619","0.0007","21.503","0.002","90","","97.758","0.006","90","","3629.4","0.5","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Cl N O3 -","- C17 H26 Cl N O3 -","- C136 H208 Cl8 N8 O24 -","8","2","CR0472","Sui, X.; Codding, P. W.","Structural and molecular modeling study of mono(pyrrolidiniomethyl)phenylacetate antiarrhythmic agents","Acta Crystallographica Section B","1995","51","5","803","810","10.1107/S0108768194014539","","","1.54178","CuKα","","","0.065","","","0.086","","","","","0.977","0.977","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101340","15.684","0.002","6.4228","0.0007","22.249","0.002","90","","109.656","0.009","90","","2110.7","0.4","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C22 H26 Cl N O5 -","- C22 H26 Cl N O5 -","- C88 H104 Cl4 N4 O20 -","4","1","CR0472","Sui, X.; Codding, P. W.","Structural and molecular modeling study of mono(pyrrolidiniomethyl)phenylacetate antiarrhythmic agents","Acta Crystallographica Section B","1995","51","5","803","810","10.1107/S0108768194014539","","","1.54178","CuKα","","","0.069","","","0.073","","","","","1.0408","1.0408","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101341","8.3651","0.0003","25.628","0.001","5.589","0.0003","95.447","0.004","106.614","0.004","82.653","0.004","1136.58","0.09","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H27 N O8 -","- C24 H27 N O8 -","- C48 H54 N2 O16 -","2","1","CR0472","Sui, X.; Codding, P. W.","Structural and molecular modeling study of mono(pyrrolidiniomethyl)phenylacetate antiarrhythmic agents","Acta Crystallographica Section B","1995","51","5","803","810","10.1107/S0108768194014539","","","1.54178","CuKα","","","0.055","","","0.059","","","","","1.0886","1.0886","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101342","5.779","0.009","4.826","0.004","11.61","0.04","90","","95.26","0.18","90","","322.4","1.3","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- H3 O4 P -","- H3 O4 P -","- H12 O16 P4 -","4","1","CR0475","Moss, G. R.; Souhassou, M.; Blessing, R. H.; Espinosa, E.; Lecomte, C.","Computational studies of crystalline H~3~PO~4~","Acta Crystallographica Section B","1995","51","5","650","660","10.1107/S0108768194012851","","neutron","1.45","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101343","5.7572","0.0013","4.831","0.0017","11.574","0.002","90","","95.274","0.012","90","","320.55","0.15","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- H3 O4 P -","- H3 O4 P -","- H12 O16 P4 -","4","1","CR0476","Souhassou, M.; Espinosa, E.; Lecomte, C.; Blessing, R. H.","Experimental electron density in crystalline H~3~PO~4~","Acta Crystallographica Section B","1995","51","5","661","668","10.1107/S0108768194014643","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101344","11.1098","0.0011","6.3894","0.0009","4.8281","0.0005","90","","90","","90","","342.72","0.07","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca Mg O4 Si -","- Ca Mg O4 Si -","- Ca4 Mg4 O16 Si4 -","4","0.5","CR0482","Pilati, T.; Demartin, F.; Gramaccioli, C. M.","Thermal parameters for minerals of the olivine group: their implication on vibrational spectra, thermodynamic functions and transferable force fields","Acta Crystallographica Section B","1995","51","5","721","733","10.1107/S0108768194014382","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101345","13.501","0.001","14.845","0.001","8.519","0.0006","102.21","0.01","98.68","0.01","68.7","0.01","1549.6","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H31 O5 P -","- C38 H31 O5 P -","- C76 H62 O10 P2 -","2","1","CR0486","Jones, R.; Liu, Z.; Scheffer, J. R.; Trotter, J.","Crystal structures and photochemistry of triphenylphosphine oxide complexes of ethyl hydrogen 9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section B","1995","51","5","888","892","10.1107/S0108768195000899","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101346","8.546","0.002","28.164","0.005","14.368","0.002","90","","98.81","0.02","90","","3417.4","1.1","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H35 O5 P -","- C41.5 H31 O5 P -","- C166 H124 O20 P4 -","4","1","CR0486","Jones, R.; Liu, Z.; Scheffer, J. R.; Trotter, J.","Crystal structures and photochemistry of triphenylphosphine oxide complexes of ethyl hydrogen 9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section B","1995","51","5","888","892","10.1107/S0108768195000899","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101347","7.944","0.0004","5.6866","0.0003","11.4059","0.0005","90","","90","","90","","515.3","0.1","","","","","","","","","","","","4","P m c n","-P 2n -21","","","","","- Mg O6 Pb2 W -","- Mg O6 Pb2 W -","- Mg4 O24 Pb8 W4 -","4","0.5","DU0393","Baldinozzi, G.; Sciau, Ph.; Pinot, M.; Grebille, D.","Crystal structure of the antiferroelectric perovskite Pb~2~MgWO~6~","Acta Crystallographica Section B","1995","51","5","668","673","10.1107/S0108768194014047","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101348","7.9041","0.0003","5.7035","0.0002","11.4442","0.0004","90","","90","","90","","515.9","0.1","","","","","","","","","","","","4","P m c n","-P 2n -21","","","","","- Mg O6 Pb2 W -","- Mg O6 Pb2 W -","- Mg4 O24 Pb8 W4 -","4","0.5","DU0393","Baldinozzi, G.; Sciau, Ph.; Pinot, M.; Grebille, D.","Crystal structure of the antiferroelectric perovskite Pb~2~MgWO~6~","Acta Crystallographica Section B","1995","51","5","668","673","10.1107/S0108768194014047","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101349","10.468","0.002","15.247","0.001","8.385","0.001","90","","90","","90","","1338.3","0.3","","","","","","","","","","","","4","I b m m","-I 2ab -2ab","","","","","- Na3 O15 Si6 Y -","- Na4 O15 Si6 Y -","- Na16 O60 Si24 Y4 -","4","0.25","DU0394","Haile, S. M.; Maier, J.; Wuensch, B. J.; Laudise, R. A.","Structure of Na~3~YSi~6~O~15~ ‒ a unique silicate based on discrete Si~6~O~15~ units, and a possible fast-ion conductor","Acta Crystallographica Section B","1995","51","5","673","680","10.1107/S0108768194014096","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101350","7.686","0.001","8.113","0.002","24.249","0.006","90","","99.96","0.02","90","","1489.3","0.6","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 I O4 -","- C14 I O4 -","- C56 I4 O16 -","4","1","DU0397","Le Texier, L.; Favre, E.; Godfroid, J.-J.; Halut-Desportes, S.","Structure of 5-(3,4,5-trimethoxyphenyl)-2-iodomethyltetrahydrofuran: a precursor of acetylcholinesterase inhibitors with platelet-activating factor antagonistic activity","Acta Crystallographica Section B","1995","51","5","863","867","10.1107/S0108768195000541","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101351","19.546","0.003","7.8798","0.001","9.1854","0.0017","90","","100.536","0.014","90","","1390.9","0.4","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cs3 H4 O12 P S2 -","- Cs3 O12 P S2 -","- Cs12 O48 P4 S8 -","4","1","DU0399","Haile, S. M.; Kreuer, K.-D.; Maier, J.","Structure of Cs~3~(HSO~4~)~2~(H~2~PO~4~) – a new compound with a superprotonic phase transition","Acta Crystallographica Section B","1995","51","5","680","687","10.1107/S0108768195005684","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101352","8.317","0.002","17.435","0.003","20.011","0.004","90","","90.43","0.03","90","","2901.7","1","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 N2 -","- C16 H22 N2 -","- C128 H176 N16 -","8","4","GR0375","Sheikh-Ali, B. M.; Rapta, M.; Jameson, G. B.; Weiss, R. G.","Molecular conformations and crystal packing properties of five 4-alkyl-<i>N</i>-(4-cyanophenyl)piperidines by X-ray diffraction: a surprising dependence upon alkyl chain length","Acta Crystallographica Section B","1995","51","5","823","835","10.1107/S0108768194013054","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","206196","2020-10-21","18:00:00",""
"2101353","9.065","0.002","9.75","0.002","35.191","0.007","90","","97.1","0.03","90","","3086.5","1.1","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C17 H24 N2 -","- C17 H24 N2 -","- C136 H192 N16 -","8","2","GR0375","Sheikh-Ali, B. M.; Rapta, M.; Jameson, G. B.; Weiss, R. G.","Molecular conformations and crystal packing properties of five 4-alkyl-<i>N</i>-(4-cyanophenyl)piperidines by X-ray diffraction: a surprising dependence upon alkyl chain length","Acta Crystallographica Section B","1995","51","5","823","835","10.1107/S0108768194013054","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101354","6.369","0.003","9.071","0.003","14.682","0.004","106.69","0.02","93.69","0.03","93.33","0.03","808.2","0.5","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H26 N2 -","- C18 H26 N2 -","- C36 H52 N4 -","2","1","GR0375","Sheikh-Ali, B. M.; Rapta, M.; Jameson, G. B.; Weiss, R. G.","Molecular conformations and crystal packing properties of five 4-alkyl-<i>N</i>-(4-cyanophenyl)piperidines by X-ray diffraction: a surprising dependence upon alkyl chain length","Acta Crystallographica Section B","1995","51","5","823","835","10.1107/S0108768194013054","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101355","11.061","0.001","15.69","0.003","21.641","0.003","106.06","0.01","101.27","0.01","100.13","0.01","3432.6","0.9","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H28 N2 -","- C19 H28 N2 -","- C152 H224 N16 -","8","4","GR0375","Sheikh-Ali, B. M.; Rapta, M.; Jameson, G. B.; Weiss, R. G.","Molecular conformations and crystal packing properties of five 4-alkyl-<i>N</i>-(4-cyanophenyl)piperidines by X-ray diffraction: a surprising dependence upon alkyl chain length","Acta Crystallographica Section B","1995","51","5","823","835","10.1107/S0108768194013054","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101356","12.331","0.002","11.086","0.002","13.929","0.003","90","","102.74","0.03","90","","1857.2","0.6","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C20 H30 N2 -","- C22 H39 N2 -","- C88 H156 N8 -","4","1","GR0375","Sheikh-Ali, B. M.; Rapta, M.; Jameson, G. B.; Weiss, R. G.","Molecular conformations and crystal packing properties of five 4-alkyl-<i>N</i>-(4-cyanophenyl)piperidines by X-ray diffraction: a surprising dependence upon alkyl chain length","Acta Crystallographica Section B","1995","51","5","823","835","10.1107/S0108768194013054","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101357","24.62","0.01","6.091","0.001","7.476","0.002","90","","100.14","0.03","90","","1103.6","0.6","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","","","","","- C13 H8 Cl2 O -","- C13 H8 Cl2 O -","- C52 H32 Cl8 O4 -","4","0.5","HR0007","Zúñiga, F. J.; Criado, A.","Structure at 140 K, lattice dynamics and phase transition of 4,4'-dichlorobenzophenone","Acta Crystallographica Section B","1995","51","5","880","888","10.1107/S0108768194014321","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101358","11.64","0.003","9.257","0.002","12.103","0.004","90","","114.83","0.01","90","","1183.6","0.6","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C62 H46 N2 O4 -","2","1","HR0011","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","Structure, solid-state photochemistry and reactivity in asymmetric synthesis of 3,4-bis(diphenylmethylene)-<i>N</i>-methylsuccinimide","Acta Crystallographica Section B","1995","51","5","856","863","10.1107/S0108768194014540","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101359","9.964","0.001","20.181","0.003","11.622","0.003","90","","90","","90","","2337","0.7","","","","","","","","","","","","4","P b c n","-P 2n 2ab","","","","","- C31 H23 N O2 -","- C31 H26 N O2 -","- C124 H104 N4 O8 -","4","0.5","HR0011","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","Structure, solid-state photochemistry and reactivity in asymmetric synthesis of 3,4-bis(diphenylmethylene)-<i>N</i>-methylsuccinimide","Acta Crystallographica Section B","1995","51","5","856","863","10.1107/S0108768194014540","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101360","9.485","0.003","11.014","0.002","22.945","0.003","90","","98.62","0.02","90","","2369.9","0.9","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C124 H92 N4 O8 -","4","1","HR0011","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","Structure, solid-state photochemistry and reactivity in asymmetric synthesis of 3,4-bis(diphenylmethylene)-<i>N</i>-methylsuccinimide","Acta Crystallographica Section B","1995","51","5","856","863","10.1107/S0108768194014540","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101361","6.0173","0.001","6.0173","0.001","8.267","0.003","90","","90","","90","","299.33","0.13","","","","","","","","","","","","3","I -4","I -4","","","","","- C5 H12 O4 -","- C5 H12 O4 -","- C10 H24 O8 -","2","0.25","HR0019","Katrusiak, A.","High-pressure X-ray diffraction study of pentaerythritol","Acta Crystallographica Section B","1995","51","5","873","879","10.1107/S010876819500098X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101362","6.5441","0.0013","11.7173","0.0015","16.4251","0.0017","92.092","0.011","95.343","0.016","94.67","0.02","1248.6","0.3","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H13 Cl Co N4 S4 -","- C29 H12 Cl Co N4 S4 -","- C58 H24 Cl2 Co2 N8 S8 -","2","1","JS0010","Lam, E. J. W.; Beurskens, P. T.; Smits, J. M. M.; van Smaalen, S.; de Boer, J. L.; Fan, H.-F.","Determination of the incommensurately modulated structure of (perylene)Co(mnt)~2~(CH~2~Cl~2~)~0.5~ by direct methods","Acta Crystallographica Section B","1995","51","5","779","789","10.1107/S0108768194014345","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101363","9.278","0.002","9.278","0.002","9.195","0.002","90","","90","","120","","685.5","0.3","","","","","","","","","","","","6","P 6/m c c","-P 6 2c","","","","","- Al2 Be3 H2 Na O19 Si6 -","- Al2 Be3 H14 Na O19 Si6 -","- Al4 Be6 H28 Na2 O38 Si12 -","2","0.0833333","NA0059","Artioli, G.; Rinaldi, R.; Wilson, C. C.; Zanazzi, P. F.","Single-crystal pulsed neutron diffraction of a highly hydrous beryl","Acta Crystallographica Section B","1995","51","5","733","737","10.1107/S0108768194014631","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101364","12.375","0.001","12.375","0.001","12.375","0.001","90","","90","","90","","1895.1","0.3","","","","","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","","","","- Fe5 O12 Y3 -","- Fe5 O12 Y3 -","- Fe40 O96 Y24 -","8","0.0833333","OH0041","Nakatsuka, A.; Yoshiasa, A.; Takeno, S.","Site preference of cations and structural variation in Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) solid solutions with garnet structure","Acta Crystallographica Section B","1995","51","5","737","745","10.1107/S0108768194014813","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205967","2020-10-21","18:00:00",""
"2101365","12.36","0.001","12.36","0.001","12.36","0.001","90","","90","","90","","1888.2","0.3","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Fe4 Ga O12 Y3 -","- Fe5 Ga3 O12 Y3 -","- Fe40 Ga24 O96 Y24 -","8","0.0833333","OH0041","Nakatsuka, A.; Yoshiasa, A.; Takeno, S.","Site preference of cations and structural variation in Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) solid solutions with garnet structure","Acta Crystallographica Section B","1995","51","5","737","745","10.1107/S0108768194014813","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205967","2020-10-21","18:00:00",""
"2101366","12.351","0.001","12.351","0.001","12.351","0.001","90","","90","","90","","1884.1","0.3","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Fe3.4 Ga1.6 O12 Y3 -","- Fe5 Ga3 O12 Y3 -","- Fe40 Ga24 O96 Y24 -","8","0.0833333","OH0041","Nakatsuka, A.; Yoshiasa, A.; Takeno, S.","Site preference of cations and structural variation in Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) solid solutions with garnet structure","Acta Crystallographica Section B","1995","51","5","737","745","10.1107/S0108768194014813","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205967","2020-10-21","18:00:00",""
"2101367","12.342","0.001","12.342","0.001","12.342","0.001","90","","90","","90","","1880","0.3","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Fe3 Ga2 O12 Y3 -","- Fe5 Ga5 O12 Y3 -","- Fe40 Ga40 O96 Y24 -","8","0.0833333","OH0041","Nakatsuka, A.; Yoshiasa, A.; Takeno, S.","Site preference of cations and structural variation in Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) solid solutions with garnet structure","Acta Crystallographica Section B","1995","51","5","737","745","10.1107/S0108768194014813","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205967","2020-10-21","18:00:00",""
"2101368","12.333","0.001","12.333","0.001","12.333","0.001","90","","90","","90","","1875.9","0.3","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Fe2.5 Ga2.5 O12 Y3 -","- Fe5 Ga5 O12 Y3 -","- Fe40 Ga40 O96 Y24 -","8","0.0833333","OH0041","Nakatsuka, A.; Yoshiasa, A.; Takeno, S.","Site preference of cations and structural variation in Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) solid solutions with garnet structure","Acta Crystallographica Section B","1995","51","5","737","745","10.1107/S0108768194014813","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205967","2020-10-21","18:00:00",""
"2101369","12.317","0.001","12.317","0.001","12.317","0.001","90","","90","","90","","1868.6","0.3","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Fe2 Ga3 O12 Y3 -","- Fe4 Ga6 O12 Y3 -","- Fe32 Ga48 O96 Y24 -","8","0.0833333","OH0041","Nakatsuka, A.; Yoshiasa, A.; Takeno, S.","Site preference of cations and structural variation in Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) solid solutions with garnet structure","Acta Crystallographica Section B","1995","51","5","737","745","10.1107/S0108768194014813","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205967","2020-10-21","18:00:00",""
"2101370","12.312","0.002","12.312","0.002","12.312","0.002","90","","90","","90","","1866.3","0.5","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Fe1.4 Ga3.6 O12 Y3 -","- Fe5 Ga5 O12 Y3 -","- Fe40 Ga40 O96 Y24 -","8","0.0833333","OH0041","Nakatsuka, A.; Yoshiasa, A.; Takeno, S.","Site preference of cations and structural variation in Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) solid solutions with garnet structure","Acta Crystallographica Section B","1995","51","5","737","745","10.1107/S0108768194014813","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205967","2020-10-21","18:00:00",""
"2101371","12.302","0.001","12.302","0.001","12.302","0.001","90","","90","","90","","1861.8","0.3","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Fe1.2 Ga3.8 O12 Y3 -","- Fe5 Ga5 O12 Y3 -","- Fe40 Ga40 O96 Y24 -","8","0.0833333","OH0041","Nakatsuka, A.; Yoshiasa, A.; Takeno, S.","Site preference of cations and structural variation in Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) solid solutions with garnet structure","Acta Crystallographica Section B","1995","51","5","737","745","10.1107/S0108768194014813","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205967","2020-10-21","18:00:00",""
"2101372","12.289","0.001","12.289","0.001","12.289","0.001","90","","90","","90","","1855.9","0.3","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Fe0.4 Ga4.6 O12 Y3 -","- Fe4 Ga6 O12 Y3 -","- Fe32 Ga48 O96 Y24 -","8","0.0833333","OH0041","Nakatsuka, A.; Yoshiasa, A.; Takeno, S.","Site preference of cations and structural variation in Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) solid solutions with garnet structure","Acta Crystallographica Section B","1995","51","5","737","745","10.1107/S0108768194014813","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205967","2020-10-21","18:00:00",""
"2101373","12.273","0.001","12.273","0.001","12.273","0.001","90","","90","","90","","1848.6","0.3","","","","","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","","","","- Ga5 O12 Y3 -","- Ga5 O12 Y3 -","- Ga40 O96 Y24 -","8","0.0833333","OH0041","Nakatsuka, A.; Yoshiasa, A.; Takeno, S.","Site preference of cations and structural variation in Y~3~Fe~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) solid solutions with garnet structure","Acta Crystallographica Section B","1995","51","5","737","745","10.1107/S0108768194014813","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205967","2020-10-21","18:00:00",""
"2101374","7.646","0.003","8.789","0.006","8.827","0.003","59.78","0.04","66.03","0.03","72.69","0.04","465.1","0.4","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C9 H9 Cl3 -","- C9 H9 Cl3 -","- C18 H18 Cl6 -","2","1","PA0298","Tazi, M.; Meinnel, J.; Sanquer, M.; Nusimovici, M.; Tonnard, F.; Carrie, R.","Structure of 1,3,5-trichloro-2,4,6-trimethylbenzene at 150 and 297 K, molecular motion and reorientation","Acta Crystallographica Section B","1995","51","5","838","847","10.1107/S0108768194014394","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101375","7.738","0.006","8.842","0.004","8.88","0.003","59.74","0.03","66.51","0.05","73.06","0.04","478.1","0.5","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C9 H9 Cl3 -","- C9 H9 Cl3 -","- C18 H18 Cl6 -","2","1","PA0298","Tazi, M.; Meinnel, J.; Sanquer, M.; Nusimovici, M.; Tonnard, F.; Carrie, R.","Structure of 1,3,5-trichloro-2,4,6-trimethylbenzene at 150 and 297 K, molecular motion and reorientation","Acta Crystallographica Section B","1995","51","5","838","847","10.1107/S0108768194014394","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101376","8.619","0.0006","10.9705","0.0006","18.7157","0.0006","90","","90","","90","","1769.66","0.17","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(Z,Z)-4-methyl-N-[1-(4-methylphenyl)-phenylimino-ethylidene]- -benzenimine-N-oxide","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C88 H80 N8 O4 -","4","1","PA0301","Olszewski, P. K.; Milart, P.; Stadnicka, K.","Structure of (<i>Z</i>,<i>Z</i>)-<i>N</i>-{[2-(4-methylphenyl)-2-(4-methylphenyl)imino]ethylidene}aniline <i>N</i>-oxide: conjugation in systems with the nitrone moiety","Acta Crystallographica Section B","1995","51","5","867","873","10.1107/S0108768195000085","","","1.54056","CuKα~1~","","0.0371","0.037","","0.0865","0.0865","","","","1.107","1.107","1.107","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101377","8.52","0.002","12.434","0.002","18.79","0.003","90","","100.91","0.02","90","","1954.7","0.6","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C20 H22 S3 -","- C20 H22 S3 -","- C80 H88 S12 -","4","1","AS0654","Iwasaki, F.; Sakuratani, M.; Kaneko, H.; Yasui, M.; Kamiya, N.; Iwasaki, H.","Structure determination of organic compounds using an in-laboratory rapid X-ray measurement system ‒ comparison with structures determined by a four-circle diffractometer","Acta Crystallographica Section B","1995","51","6","1028","1035","10.1107/S0108768195006914","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101378","8.52","0.002","12.434","0.002","18.79","0.003","90","","100.91","0.02","90","","1954.7","0.6","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C20 H22 S3 -","- C20 H22 S3 -","- C80 H88 S12 -","4","1","AS0654","Iwasaki, F.; Sakuratani, M.; Kaneko, H.; Yasui, M.; Kamiya, N.; Iwasaki, H.","Structure determination of organic compounds using an in-laboratory rapid X-ray measurement system ‒ comparison with structures determined by a four-circle diffractometer","Acta Crystallographica Section B","1995","51","6","1028","1035","10.1107/S0108768195006914","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101379","10.885","0.001","10.169","0.001","17.597","0.001","90","","104.82","0.01","90","","1883.1","0.3","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","AS0654","Iwasaki, F.; Sakuratani, M.; Kaneko, H.; Yasui, M.; Kamiya, N.; Iwasaki, H.","Structure determination of organic compounds using an in-laboratory rapid X-ray measurement system – comparison with structures determined by a four-circle diffractometer","Acta Crystallographica Section B","1995","51","6","1028","1035","10.1107/S0108768195006914","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101380","10.885","0.001","10.169","0.001","17.597","0.002","90","","104.82","0.01","90","","1883.1","0.3","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","AS0654","Iwasaki, F.; Sakuratani, M.; Kaneko, H.; Yasui, M.; Kamiya, N.; Iwasaki, H.","Structure determination of organic compounds using an in-laboratory rapid X-ray measurement system – comparison with structures determined by a four-circle diffractometer","Acta Crystallographica Section B","1995","51","6","1028","1035","10.1107/S0108768195006914","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101381","15.41","0.014","19.748","0.008","15.415","0.002","90","","117.36","0.05","90","","4166","5","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C21 H21 Bi Cl2 -","- C21 H21 Bi Cl2 -","- C168 H168 Bi8 Cl16 -","8","1","AS0654","Iwasaki, F.; Sakuratani, M.; Kaneko, H.; Yasui, M.; Kamiya, N.; Iwasaki, H.","Structure determination of organic compounds using an in-laboratory rapid X-ray measurement system ‒ comparison with structures determined by a four-circle diffractometer","Acta Crystallographica Section B","1995","51","6","1028","1035","10.1107/S0108768195006914","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101382","8.046","0.002","8.046","0.002","8.046","0.002","90","","90","","90","","520.9","0.2","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","","","","","- F6 K2 Si -","- F6 K2 Si -","- F24 K8 Si4 -","4","0.0208333","AS0671","Hester, J. R.; Maslen, E. N.","Electron density ‒ structure relationships in some perovskite-type compounds","Acta Crystallographica Section B","1995","51","6","913","920","10.1107/S0108768195003405","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101383","6.372","0.001","10.206","0.002","31.085","0.005","90","","90","","90","","2021.5","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","GL2E4-2","GL2E4-1-1","","- C20 H28 O8 -","- C20 H28 O8 -","- C80 H112 O32 -","4","1","AS0679","Doi, M.; In, Y.; Nishino, T.; Ishida, T.; Inoue, M.; Shibuya, H.; Ohashi, K.; Narita, N.; Kitagawa, I.","Structural properties of synthetic ionophore <i>GL</i>~2~<i>E</i>~4~ diastereomers, 18-membered cyclic lactone tetraepoxides, by X-ray crystal analyses: possible relation between crystal structure and Ca^2+^-transportation ability","Acta Crystallographica Section B","1995","51","6","1045","1050","10.1107/S0108768195004678","","","1.5418","CuKα","","0.0488","0.0389","","0.1092","0.0958","","","","0.993","0.964","0.964","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101384","10.649","0.004","8.559","0.004","5.734","0.002","107.76","0.03","91.13","0.03","100.56","0.03","487.7","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","GL2E4-4","GL2E4-2-1","","- C20 H28 O8 -","- C20 H28 O8 -","- C20 H28 O8 -","1","0.5","AS0679","Doi, M.; In, Y.; Nishino, T.; Ishida, T.; Inoue, M.; Shibuya, H.; Ohashi, K.; Narita, N.; Kitagawa, I.","Structural properties of synthetic ionophore <i>GL</i>~2~<i>E</i>~4~ diastereomers, 18-membered cyclic lactone tetraepoxides, by X-ray crystal analyses: possible relation between crystal structure and Ca^2+^-transportation ability","Acta Crystallographica Section B","1995","51","6","1045","1050","10.1107/S0108768195004678","","","1.5418","CuKα","","0.0482","0.0463","","0.1245","0.1231","","","","1.065","1.091","1.091","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101385","8.669","0.002","20.847","0.004","21.746","0.004","90","","90","","90","","3930","1.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","GL2E4-6","GL2E4-1-3","","- C20 H28 O8 -","- C20 H28 O8 -","- C160 H224 O64 -","8","1","AS0679","Doi, M.; In, Y.; Nishino, T.; Ishida, T.; Inoue, M.; Shibuya, H.; Ohashi, K.; Narita, N.; Kitagawa, I.","Structural properties of synthetic ionophore <i>GL</i>~2~<i>E</i>~4~ diastereomers, 18-membered cyclic lactone tetraepoxides, by X-ray crystal analyses: possible relation between crystal structure and Ca^2+^-transportation ability","Acta Crystallographica Section B","1995","51","6","1045","1050","10.1107/S0108768195004678","","","1.5418","CuKα","","0.0893","0.0582","","0.1745","0.1369","","","","1.058","1.034","1.034","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101386","5.5877","0.0003","7.5951","0.0004","5.2743","0.0002","90","","90","","90","","223.837","0.019","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe O3 Y -","- Fe O3 Y -","- Fe4 O12 Y4 -","4","0.5","AS0680","du Boulay, D.; Maslen, E. N.; Streltsov, V. A.; Ishizawa, N.","A synchrotron X-ray study of the electron density in YFeO~3~","Acta Crystallographica Section B","1995","51","6","921","929","10.1107/S0108768195004010","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101387","4.773","0.001","4.773","0.001","15.642","0.001","90","","90","","120","","308.6","0.1","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Rhodochrosite","- C Mn O3 -","- C Mn O3 -","- C6 Mn6 O18 -","6","0.166667","AS0682","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.","Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO~3~, MgCO~3~ and MnCO~3~","Acta Crystallographica Section B","1995","51","6","929","939","10.1107/S0108768195006434","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:08",""
"2101388","8.027","0.003","15.9","0.008","7.176","0.002","91.1","0.03","106.76","0.03","77.24","0.04","854.3","0.6","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N5 O8 -","- C16 H13 N5 O8 -","- C32 H26 N10 O16 -","2","1","AS0686","Nagata, H.; In, Y.; Doi, M.; Ishida, T.; Wakahara, A.","Structural features of four tryptophan metabolite–picric acid molecular complexes","Acta Crystallographica Section B","1995","51","6","1051","1058","10.1107/S0108768195005349","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101389","7.93","0.001","16.166","0.003","6.777","0.001","95.98","0.02","105.09","0.01","96.64","0.02","825","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 N5 O7 -","- C16 H10 N5 O7 -","- C32 H20 N10 O14 -","2","1","AS0686","Nagata, H.; In, Y.; Doi, M.; Ishida, T.; Wakahara, A.","Structural features of four tryptophan metabolite–picric acid molecular complexes","Acta Crystallographica Section B","1995","51","6","1051","1058","10.1107/S0108768195005349","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101390","7.628","0.005","16.715","0.006","6.85","0.002","93.78","0.06","99.96","0.07","100.19","0.03","842.4","0.7","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N4 O9 -","- C16 H9 N4 O10 -","- C32 H18 N8 O20 -","2","1","AS0686","Nagata, H.; In, Y.; Doi, M.; Ishida, T.; Wakahara, A.","Structural features of four tryptophan metabolite–picric acid molecular complexes","Acta Crystallographica Section B","1995","51","6","1051","1058","10.1107/S0108768195005349","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101391","25.086","0.002","6.722","0.001","22.507","0.002","90","","91.9","0.02","90","","3793.2","0.7","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C17 H17 N5 O8 -","- C17 H17 N5 O8 -","- C136 H136 N40 O64 -","8","1","AS0686","Nagata, H.; In, Y.; Doi, M.; Ishida, T.; Wakahara, A.","Structural features of four tryptophan metabolite‒picric acid molecular complexes","Acta Crystallographica Section B","1995","51","6","1051","1058","10.1107/S0108768195005349","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101392","13.152","0.002","8.987","0.002","16.538","","90","","95.6","0.01","90","","1945.4","0.5","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C12 H9 N3 O -","- C12 H9 N3 O -","- C96 H72 N24 O8 -","8","1","BK0018","Wojtczak, A.; Cody, V.","Structure-activity relationships of inotropic bipyridines: crystallographic analysis of four milrinone analogues","Acta Crystallographica Section B","1995","51","6","981","986","10.1107/S0108768195000395","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101393","6.704","0.001","6.846","0.001","13.273","0.003","81.31","0.02","85.28","0.02","66.02","0.02","550.06","0.19","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 N3 O -","- C13 H11 N3 O -","- C26 H22 N6 O2 -","2","1","BK0018","Wojtczak, A.; Cody, V.","Structure-activity relationships of inotropic bipyridines: crystallographic analysis of four milrinone analogues","Acta Crystallographica Section B","1995","51","6","981","986","10.1107/S0108768195000395","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101394","7.2","0.002","10.695","0.002","17.556","0.004","77.2","0.02","87.94","0.02","83.58","0.02","1309.9","0.5","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H16 Cl N3 O3 -","- C11 H14.5 Cl N3 O3 -","- C44 H58 Cl4 N12 O12 -","4","2","BK0018","Wojtczak, A.; Cody, V.","Structure-activity relationships of inotropic bipyridines: crystallographic analysis of four milrinone analogues","Acta Crystallographica Section B","1995","51","6","981","986","10.1107/S0108768195000395","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101395","9.535","0.0009","14.31","0.002","7.4961","0.0008","90","","105.28","0.001","90","","986.7","0.2","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","BK0018","Wojtczak, A.; Cody, V.","Structure-activity relationships of inotropic bipyridines: crystallographic analysis of four milrinone analogues","Acta Crystallographica Section B","1995","51","6","981","986","10.1107/S0108768195000395","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101396","6.224","0.013","10.344","0.013","14.55","0.02","90","","101.32","0.15","90","","919","3","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C4 H6 N4 O8 -","- C4 H6 N4 O8 -","- C16 H24 N16 O32 -","4","1","BK0023","Koh, L. L.; Sim, K. Y.; Huang, H. H.; Lam, Y. L.; Liang, E. P.","Structure of 2,2,3,3-tetranitrobutane","Acta Crystallographica Section B","1995","51","6","1097","1102","10.1107/S0108768195009955","","","0.71073","MoKα","","","0.0403","","","0.0421","","","","","1.52","1.52","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101397","6.152","0.003","7.216","0.002","11.622","0.004","76.17","0.03","76.93","0.06","69.27","0.05","462.8","0.3","297","","","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H6 N4 O8 -","- C4 H6 N4 O8 -","- C8 H12 N8 O16 -","2","1","BK0023","Koh, L. L.; Sim, K. Y.; Huang, H. H.; Lam, Y. L.; Liang, E. P.","Structure of 2,2,3,3-tetranitrobutane","Acta Crystallographica Section B","1995","51","6","1097","1102","10.1107/S0108768195009955","","","0.71073","MoKα","","","0.05","","","0.05","","","","","2.9","2.9","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101398","13.925","0.001","14.715","0.001","5.076","0.001","90","","90","","90","","1040.1","0.2","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C9 H13 N3 O5 -","- C9 H13 N3 O5 -","- C36 H52 N12 O20 -","4","1","BK0024","Chen, L.; Craven, B. M.","Electrostatic properties of β-cytidine and cytosine monohydrate from Bragg diffraction","Acta Crystallographica Section B","1995","51","6","1081","1097","10.1107/S0108768195005672","","","0.5608","Ag","","","","","","","","","","","","","","","","","has coordinates","190627","2020-10-21","18:00:00",""
"2101399","17.534","0.005","9.908","0.004","30.011","0.013","90","","108.27","0.03","90","","4951","3","225","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 O4 Sn -","- C29 H31 O4 Sn -","- C232 H248 O32 Sn8 -","8","1","BK1035","Wharf, I.; Simard, M. G.","Studies in aryltin chemistry. IX. Structures of tetra(<i>m</i>-methoxyphenyl)tin(IV) and tetra(<i>o</i>-methoxyphenyl)tin(IV)","Acta Crystallographica Section B","1995","51","6","973","980","10.1107/S0108768195003636","","","0.7093","MoKα","","","0.021","","","0.029","","","","","2.2","2.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101400","9.145","0.006","16.562","0.005","18.01","0.008","77.72","0.03","78.52","0.05","81.7","0.04","2597","2","290","","","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 O4 Sn -","- C28 H28 O4 Sn -","- C112 H112 O16 Sn4 -","4","2","BK1035","Wharf, I.; Simard, M. G.","Studies in aryltin chemistry. IX. Structures of tetra(<i>m</i>-methoxyphenyl)tin(IV) and tetra(<i>o</i>-methoxyphenyl)tin(IV)","Acta Crystallographica Section B","1995","51","6","973","980","10.1107/S0108768195003636","","","1.54056","CuKα","","","0.037","","","0.038","","","","","1.64","1.64","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101401","26.555","0.003","8.737","0.001","11.494","0.001","90","","114.32","0.02","90","","2430.1","0.6","","","","","","","","","","","","4","C 1 2 1","C 2y","","","","","- C24 H31 N O9 -","- C24 H31 N O9 -","- C96 H124 N4 O36 -","4","1","CR0493","Karle, J. M.; Lin, Ai. J.","Correlation of the crystal structures of diastereomeric artemisinin derivatives with their proton NMR spectra in CDCl~3~","Acta Crystallographica Section B","1995","51","6","1063","1068","10.1107/S0108768195005581","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101402","12.392","0.002","10.639","0.002","20.081","0.002","90","","91.51","0.02","90","","2646.5","0.7","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H35 N O9 -","- C26 H35 N O9 -","- C104 H140 N4 O36 -","4","2","CR0493","Karle, J. M.; Lin, Ai. J.","Correlation of the crystal structures of diastereomeric artemisinin derivatives with their proton NMR spectra in CDCl~3~","Acta Crystallographica Section B","1995","51","6","1063","1068","10.1107/S0108768195005581","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101403","6.224","0.003","6.224","0.003","19.49","0.01","90","","90","","120","","654","1","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Cd P S3 -","- Cd P S3 -","- Cd6 P6 S18 -","6","0.333333","DU0398","Boucher, F.; Evain, M.; Brec, R.","Phase transition upon <i>d</i>^10^ Cd^2+^ ordering in CdPS~3~","Acta Crystallographica Section B","1995","51","6","952","961","10.1107/S0108768195004824","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","277630","2022-09-05","12:16:29",""
"2101404","6.224","0.003","6.224","0.003","19.49","0.01","90","","90","","120","","654","1","","","","","","","","","","","","3","R 3 :H","R 3","146","","","","- Cd P S3 -","- Cd P S3 -","- Cd6 P6 S18 -","6","0.666667","DU0398","Boucher, F.; Evain, M.; Brec, R.","Phase transition upon <i>d</i>^10^ Cd^2+^ ordering in CdPS~3~","Acta Crystallographica Section B","1995","51","6","952","961","10.1107/S0108768195004824","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","277629","2022-09-05","11:31:26",""
"2101405","22.03","0.03","6.742","0.003","7.019","0.006","90","","108.6","","90","","988.1","1.6","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- Cu O12 P3 Th2 -","- Cu O12 P3 Th2 -","- Cu4 O48 P12 Th8 -","4","0.5","HA0136","Louër, M.; Brochu, R.; Louër, D.; Arsalane, S.; Ziyad, M.","Structure determination of CuTh~2~(PO~4~)~3~","Acta Crystallographica Section B","1995","51","6","908","913","10.1107/S0108768195001637","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101406","14.984","0.005","4.802","0.002","10.26","0.003","90","","111.52","0.01","90","","686.8","0.4","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","","","","","- C18 H18 -","- C36 H36 -","- C72 H72 -","2","0.5","HA0138","Gorter, S.; Rutten-Keulemans, E.; Krever, M.; Romers, C.; Cruickshank, D. W. J.","[18]-Annulene, C~18~H~18~, structure, disorder and Hückel's 4<i>n</i> + 2 rule","Acta Crystallographica Section B","1995","51","6","1036","1045","10.1107/S0108768195004927","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101407","22.196","0.015","22.196","0.015","24.64","0.02","90","","90","","120","","10513","13","193","2","193","2","","","","","","","","5","P 65","P 65","170","Echinomycin.2QN","","","- C60.5 H86 N10 O17 S2 -","- C60.5 H86 N10 O17 S2 -","- C363 H516 N60 O102 S12 -","6","1","HE0091","Sheldrick, G. M.; Heine, A.; Schmidt-Bäse, K.; Pohl, E.; Jones, P. G.; Paulus, E.; Waring, M. J.","Structures of quinoxaline antibiotics","Acta Crystallographica Section B","1995","51","6","987","999","10.1107/S010876819401503X","","","1.5418","CuKα","","0.1176","0.0897","","0.2548","0.2259","","","","1.079","1.184","1.184","","","","","has coordinates,has disorder","194474","2020-10-21","18:00:00",""
"2101408","16.054","0.008","17.128","0.009","22.706","0.012","90","","90","","90","","6244","6","188","2","188","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Triostin C","","","- C54.67 H72 Cl2 N12 O12.67 S2 -","- C54.661 H70.661 Cl1.983 N12 O12.678 S2 -","- C218.644 H282.644 Cl7.932 N48 O50.712 S8 -","4","1","HE0091","Sheldrick, G. M.; Heine, A.; Schmidt-Bäse, K.; Pohl, E.; Jones, P. G.; Paulus, E.; Waring, M. J.","Structures of quinoxaline antibiotics","Acta Crystallographica Section B","1995","51","6","987","999","10.1107/S010876819401503X","","","0.71073","MoKα","","0.1403","0.0765","","0.1626","0.1267","","","","1.111","1.122","1.122","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2101409","20.94","0.02","18.53","0.02","18.8","0.02","90","","90","","90","","7295","13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Triostin A","","","- C64 H90 N12 O16 S2 -","- C64 H90 N12 O16 S2 -","- C256 H360 N48 O64 S8 -","4","1","HE0091","Sheldrick, G. M.; Heine, A.; Schmidt-Bäse, K.; Pohl, E.; Jones, P. G.; Paulus, E.; Waring, M. J.","Structures of quinoxaline antibiotics","Acta Crystallographica Section B","1995","51","6","987","999","10.1107/S010876819401503X","","","1.5418","CuKα","","0.0935","0.0679","","0.1824","0.1641","","","","1.059","1.227","1.227","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2101410","10.622","0.01","17.035","0.017","35.21","0.03","90","","90","","90","","6371","10","153","2","153","2","","","","","","","","6","C 2 2 21","C 2c 2","20","Triostin A","","","- C56 H77 Cl N14 O14 S2 -","- C56 H77 Cl N14 O14 S2 -","- C224 H308 Cl4 N56 O56 S8 -","4","0.5","HE0091","Sheldrick, G. M.; Heine, A.; Schmidt-Bäse, K.; Pohl, E.; Jones, P. G.; Paulus, E.; Waring, M. J.","Structures of quinoxaline antibiotics","Acta Crystallographica Section B","1995","51","6","987","999","10.1107/S010876819401503X","","","0.71073","MoKα","","0.1319","0.0754","","0.2084","0.1641","","","","1.068","1.13","1.13","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101411","9.9069","0.0013","4.737","0.002","16.382","0.002","90","","104.681","0.011","90","","743.7","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","HE0119","Harding, M. M.; Kariuki, B. M.; Williams, L.; Anwar, J.","<small>DL</small>-Norleucine: redetermination of structure and observations with synchrotron radiation Laue diffraction on heating towards transformation","Acta Crystallographica Section B","1995","51","6","1059","1062","10.1107/S0108768195006331","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101412","9.132","0.003","12.931","0.003","15.514","0.005","90","","90","","90","","1832","0.9","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C10 H11 N O -","- C10 H11 N O -","- C80 H88 N8 O8 -","8","1","NA0069","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups","Acta Crystallographica Section B","1995","51","6","1004","1015","10.1107/S0108768195004009","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101413","10.004","0.003","10.482","0.003","11.506","0.004","114.54","0.02","111.28","0.02","88.16","0.03","1012.7","0.6","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H13 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","2","NA0069","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N–H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups","Acta Crystallographica Section B","1995","51","6","1004","1015","10.1107/S0108768195004009","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101414","9.469","0.002","8.53","0.003","27.149","0.003","90","","90","","90","","2192.8","0.9","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C88 H104 N8 O24 -","8","1","NA0069","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups","Acta Crystallographica Section B","1995","51","6","1004","1015","10.1107/S0108768195004009","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101415","8.469","0.001","15.783","0.002","9.003","0.001","90","","90","","90","","1203.4","0.2","","","","","","","","","","","","4","I b a 2","I 2 -2c","","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","0.5","NA0069","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups","Acta Crystallographica Section B","1995","51","6","1004","1015","10.1107/S0108768195004009","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101416","11.793","0.004","7.92","0.001","18.366","0.002","90","","100.01","0.02","90","","1689.3","0.6","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C20 H18 N4 O -","- C20 H18 N4 O -","- C80 H72 N16 O4 -","4","1","NA0069","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups","Acta Crystallographica Section B","1995","51","6","1004","1015","10.1107/S0108768195004009","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101417","4.823","0.001","22.371","0.003","11.814","0.003","90","","97.04","0.02","90","","1265.1","0.5","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C16 H10 Cl N O2 -","- C16 H10 Cl N O2 -","- C64 H40 Cl4 N4 O8 -","4","1","NA0069","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups","Acta Crystallographica Section B","1995","51","6","1004","1015","10.1107/S0108768195004009","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101418","18.97","0.003","5.77","0.002","23.578","0.004","90","","97.22","0.02","90","","2560.3","1.1","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C13 H13 N5 O -","- C13 H13 N5 O -","- C104 H104 N40 O8 -","8","1","NA0069","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups","Acta Crystallographica Section B","1995","51","6","1004","1015","10.1107/S0108768195004009","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101419","14.9853","0.0005","10.1607","0.0005","23.729","0.002","90","","108.68","0.004","90","","3422.7","0.4","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C176 H144 N16 O16 -","8","1","PA0302","Fischer, G.; Pindur, U.; Schollmeyer, D.","Different crystal modifications of 3aβ,4<i>a</i>-dihydro-4β,10-dimethyl-2-phenyl-1<i>H</i>,3<i>H</i>,5<i>H</i>-pyrrolo[3,4-<i>b</i>]carbazol-1,3-dione ‒ crystal data and theoretical calculations","Acta Crystallographica Section B","1995","51","6","999","1003","10.1107/S0108768195002333","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101420","14.977","0.009","10.177","0.001","23.663","0.002","90","","108.17","0.02","90","","3427","2","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C176 H144 N16 O16 -","8","1","PA0302","Fischer, G.; Pindur, U.; Schollmeyer, D.","Different crystal modifications of 3aβ,4<i>a</i>-dihydro-4β,10-dimethyl-2-phenyl-1<i>H</i>,3<i>H</i>,5<i>H</i>-pyrrolo[3,4-<i>b</i>]carbazol-1,3-dione ‒ crystal data and theoretical calculations","Acta Crystallographica Section B","1995","51","6","999","1003","10.1107/S0108768195002333","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105382","5.9","","6.4","","8.7","","90","","90","","90","","328.512","","","","","","","","","","","","","2","I m m 2","I 2 -2","44","","","","- Ag8 S -","- Ag8 S -","- Ag16 S2 -","2","0.25","","Hashimoto, H.; Yu, Y.-D.; Guan, R.; Makita, Y.","Electron-microscope study of the structure of Ag8 S formed in the initial stage of silver sulfidation","Acta Crystallographica B (39,1983-)","1995","51","","149","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310687","5.511","","5.511","","7.796","","90","","90","","90","","236.773","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Sr Ti O3","","- O3 Sr Ti -","- O3 Sr Ti -","- O12 Sr4 Ti4 -","4","0.125","","Tsuda, K.; Tanaka, M.","Refinement of crystal structure parameters using convergent-beam electron diffraction: the low-temperature phase of SrTiO~3~","Acta Crystallographica Section A","1995","51","1","7","19","10.1107/S010876739400560X","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4001724","4.5058","","4.5058","","15.4587","","90","","90","","90","","313.846","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Cs Fe0.72 Ag1.28 Te2","","- Ag1.28 Cs Fe0.72 Te2 -","- Ag1.28 Cs Fe0.72 Te2 -","- Ag2.56 Cs2 Fe1.44 Te4 -","2","0.0625","","Yglesias, R.A.; Guo, H.-Y.; Li, J.; Emge, T.J.","Cs Fex Ag2-x Te2 (x=0.72): the first quaternary iron telluride synthesized from molten salt","Chemistry of Materials (1,1989-)","1995","7","","599","601","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030716","9.642","0.002","9.642","0.002","8.104","0.002","90","","90","","120","","652.5","0.3","","","293","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- O9 Ru2 Sr4 -","- O9 Ru2 Sr4 -","- O27 Ru6 Sr12 -","3","0.25","","Dussarrat, C.; Fompeyrine, J.; Darriet, J.","Sr4Ru2O9: A structural model resulting from the stacking of [Sr3O9] and [Sr3O6] mixed layers. Structural relationships to related perovskite-type structures","European Journal of Solid State and Inorganic Chemistry","1995","32","","3","14","","","x-ray","0.71073","MoKα","","","0.037","","","0.066","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030717","21.141","0.003","6.459","0.001","12.219","0.001","90","","104.64","0.01","90","","1614.3","0.4","","","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 Ag2 N3 O8 -","- C14 Ag2 N3 O8 -","- C56 Ag8 N12 O32 -","4","0.5","","Jaber, F.; Charbonnier, F.; Faure, R.","Crystal structure of ammine silver(I) p-nitrobenzoate","European Journal of Solid State and Inorganic Chemistry","1995","32","","25","33","","","x-ray","0.71073","MoKα","","","0.039","","","0.039","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030718","10.138","0.001","10.138","0.001","10.138","0.001","90","","90","","90","","1041.97","0.18","","","293","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ca2 D N -","- Ca2 D N -","- Ca32 D16 N16 -","16","0.0833333","","Sichla, T.; Jacobs, H.","Synthesis and crystal structure of a calcium nitride deuteride Ca2ND","European Journal of Solid State and Inorganic Chemistry","1995","32","","49","56","","","x-ray","0.56087","AgKα","","","0.024","","","0.023","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030719","20.24","0.01","20.24","0.01","46.88","0.03","90","","90","","90","","19205","18","","","298","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C60 H147 N5 O42 W12 -","- C60 N5 O42 W12 -","- C480 N40 O336 W96 -","8","0.5","","Seguin, L.; Gerand, B.; Nowogrocki, G.","Structure of an hydrated tetrapropylammonium polytungstate H3W12O40[N(C3H7)4]5.2H2O","European Journal of Solid State and Inorganic Chemistry","1995","32","","181","194","","","x-ray","0.71069","MoKα","","","0.039","","","0.039","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030720","12.538","0.002","11.67","0.002","12.699","0.001","90","","90","","90","","1858.1","0.5","","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Ca Fe3 H2 O13 P3 -","- Ca Fe3 H2 O13 P3 -","- Ca8 Fe24 H16 O104 P24 -","8","1","","Kwang-Hwa Lii; Chih-Yuan Huang","CaFe3(PO4)3(H2O): A mixed-valence iron phosphate containing zigzag chains of FeO6 octahedra","European Journal of Solid State and Inorganic Chemistry","1995","32","","225","235","","","x-ray","0.7093","MoKα","","","0.0287","","","0.0292","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030721","9.215","0.002","7.427","0.002","9.881","0.003","90","","101.19","0.02","90","","663.4","0.3","","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C2 H9 F Fe N2 O4 P -","- C2 H9 F Fe N2 O4 P -","- C8 H36 F4 Fe4 N8 O16 P4 -","4","1","","Cavellec, M.; Riou, D.; Ferey, G.","Oxyfluorinated compounds with open structures. XII. Synthesis and crystal structure of ULM-11 or [FeF(HPO4), en]; structural relations with ULM-10 and mineral curetonite","European Journal of Solid State and Inorganic Chemistry","1995","32","","271","281","","","x-ray","0.71073","MoKα","","","0.039","","","0.1","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030722","18.359","0.004","10.927","0.002","17.389","0.003","90","","111.44","0.02","90","","3247","1.2","","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H12 N2 S16 Sb10 -","- C3 N2 S16 Sb10 -","- C12 N8 S64 Sb40 -","4","1","","Xiqu Wang","Synthesis and crystal structure of a new microporous thioantimonate(III) [H3N(CH2)3NH3]Sb10S16","European Journal of Solid State and Inorganic Chemistry","1995","32","","303","312","","","x-ray","0.71073","MoKα","","","0.071","","","0.162","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030723","6.424","0.002","9.44","0.001","10.981","0.002","64.77","0.01","86.21","0.02","73.13","0.02","575.2","0.2","","","293","","","","","","","","","4","P -1","-P 1","2","","","","- Fe2.44 Na3.12 O14 P4 -","- Fe2.441 Na3.118 O14 P4 -","- Fe4.882 Na6.236 O28 P8 -","2","1","","Angenault, J.; Couturier, J.-C.; Quarton, M.; Robert, F.","Structure of Na3.12Fe2.44(P2O7)2","European Journal of Solid State and Inorganic Chemistry","1995","32","","335","343","","","x-ray","0.71069","MoKα","","","0.035","","","0.039","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030724","7.9391","0.0007","17.139","0.003","8.858","0.002","90","","98","0.02","90","","1193.6","0.4","","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Cr3 N2 O10 -","- C20 Cr3 N2 O10 -","- C40 Cr6 N4 O20 -","2","1","","Lorenzio Luis, P. A.; Martin-Zarza, P.; Gili, P.; Arrieta, J. M.; Germain, G.; Dupont, L.","Preparation and characterization of a trioxofluorochromate(VI) and a trichromate(VI) of 2-methylquinolinium","European Journal of Solid State and Inorganic Chemistry","1995","32","","353","360","","","x-ray","0.71073","MoKα","","","0.0358","","","0.1062","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030728","5.381","0.002","6.181","0.002","20.314","0.004","90","","96.08","0.02","90","","671.8","0.4","","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cu2 H2 Mn O9 P2 -","- Cu2 Mn O9 P2 -","- Cu8 Mn4 O36 P8 -","4","1","","Liao, J.-H.; Leroux, F.; Guyomard, D.; Piffard, Y.; Tournoux, M.","Hydrothermal synthesis and structures of Cu2Mn(PO4)2(H2O) and CuMn2(PO4)2(H2O)","European Journal of Solid State and Inorganic Chemistry","1995","32","","403","414","","","x-ray","0.71073","MoKα","","","0.06","","","0.068","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030729","8.332","0.001","10.094","0.002","9.092","0.001","90","","115.11","0.01","90","","692.4","0.19","","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cu H2 Mn2 O9 P2 -","- Cu Mn2 O9 P2 -","- Cu4 Mn8 O36 P8 -","4","1","","Liao, J.-H.; Leroux, F.; Guyomard, D.; Piffard, Y.; Tournoux, M.","Hydrothermal synthesis and structures of Cu2Mn(PO4)2(H2O) and CuMn2(PO4)2(H2O)","European Journal of Solid State and Inorganic Chemistry","1995","32","","403","414","","","x-ray","0.71073","MoKα","","","0.078","","","0.083","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030730","5.4435","0.0004","5.4435","0.0004","13.14","0.001","90","","90","","120","","337.2","0.04","","","295","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Al0.1 La Ni0.9 O3 -","- Al0.1 La Ni0.9 O3 -","- Al0.6 La6 Ni5.4 O18 -","6","0.166667","","Martinez-Lope, M. J.; Casais, M. T.; Alonso, J. A.","Doping of the RNiO3 perovskites in the Ni Positions: neutron diffraction study of the structural evolution of the R (Ni1-xAlx)O3 (R = La, Nd) series","European Journal of Solid State and Inorganic Chemistry","1995","32","","521","534","","powder diffraction","neutron","1.345","","","","","","","","","","0.033","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030731","5.4024","0.0004","5.4024","0.0004","13.164","0.002","90","","90","","120","","332.73","0.06","","","295","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Al0.5 La Ni0.5 O3 -","- Al0.5 La Ni0.5 O3 -","- Al3 La6 Ni3 O18 -","6","0.166667","","Martinez-Lope, M. J.; Casais, M. T.; Alonso, J. A.","Doping of the RNiO3 perovskites in the Ni Positions: neutron diffraction study of the structural evolution of the R (Ni1-xAlx)O3 (R = La, Nd) series","European Journal of Solid State and Inorganic Chemistry","1995","32","","521","534","","powder diffraction","neutron","1.345","","","","","","","","","","0.036","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030732","5.3906","0.0006","5.3662","0.0005","7.598","0.001","90","","90","","90","","219.79","0.04","","","295","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Al0.1 Nd Ni0.9 O3 -","- Al0.1 Nd Ni0.9 O3 -","- Al0.4 Nd4 Ni3.6 O12 -","4","0.5","","Martinez-Lope, M. J.; Casais, M. T.; Alonso, J. A.","Doping of the RNiO3 perovskites in the Ni Positions: neutron diffraction study of the structural evolution of the R (Ni1-xAlx)O3 (R = La, Nd) series","European Journal of Solid State and Inorganic Chemistry","1995","32","","521","534","","powder diffraction","neutron","1.345","","","","","","","","","","0.037","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030733","5.3629","0.0009","5.3304","0.0008","7.556","0.002","90","","90","","90","","216","0.08","","","295","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","","- Al0.5 Nd Ni0.5 O3 -","- Al0.5 Nd Ni0.5 O3 -","- Al2 Nd4 Ni2 O12 -","4","0.5","","Martinez-Lope, M. J.; Casais, M. T.; Alonso, J. A.","Doping of the RNiO3 perovskites in the Ni Positions: neutron diffraction study of the structural evolution of the R (Ni1-xAlx)O3 (R = La, Nd) series","European Journal of Solid State and Inorganic Chemistry","1995","32","","521","534","","powder diffraction","neutron","1.345","","","","","","","","","","0.049","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030734","10.273","0.001","10.273","0.001","10.273","0.001","90","","90","","90","","1084.16","0.18","","","293","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ba4.9 K2.9 Si46 -","- Ba4.92 K2.88 Si46 -","- Ba4.92 K2.88 Si46 -","1","0.0208333","","Yamanaka, S.; Horie, H. O.; Kawaji, H.; Ishikawa, M.","Preparation and superconductivity of barium containing silicon clathrate compound, (Ba, K)xSi46","European Journal of Solid State and Inorganic Chemistry","1995","32","","799","807","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030735","9.793","0.001","8.464","0.005","10.712","0.001","90","","117.2","0.01","90","","789.7","0.5","","","293","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- F7 Th Tl3 -","- F7 Th Tl3 -","- F28 Th4 Tl12 -","4","1","","Gaumet, Y.; El-Ghozzi, M.; Avignant, D.","The crystal structure of Tl3ThF7: a case of stereochemical activity of Tl+ lone pair in fluorides","European Journal of Solid State and Inorganic Chemistry","1995","32","","893","905","","","x-ray","0.71069","MoKα","","","0.044","","","0.051","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030736","10.717","0.001","20.823","0.004","6.5296","0.0009","90","","90","","90","","1457.1","0.4","","","293","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- Fe3 H2 K3 O17 P4 -","- Fe3 H2 K3 O17 P4 -","- Fe12 H8 K12 O68 P16 -","4","0.5","","Kwang-Hwa Lii","K3Fe3(PO4)4.H2O: an iron(III) phosphate with a layer structure","European Journal of Solid State and Inorganic Chemistry","1995","32","","917","926","","","x-ray","0.7093","MoKα","","","0.0285","","","0.035","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030740","9.284","0.005","9.127","0.005","7.418","0.003","72.13","0.01","105.43","0.01","115.67","0.01","532.7","0.5","","","294","","","","","","","","","5","P -1","-P 1","2","","","","- H12 Na4 O24 P6 Zn -","- H12 Na4 O24 P6 Zn -","- H12 Na4 O24 P6 Zn -","1","0.5","","Abid, S.; Rzaigui, M.; Averbuch-Pouchot, M.-T.","Synthesis and structural investigation of a new cyclohexaphosphate: ZnNa4P6O18.6H2O","European Journal of Solid State and Inorganic Chemistry","1995","32","","927","935","","","x-ray","0.5608","AgKα","","","0.033","","","0.038","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030741","12.28","0.004","12.28","0.004","3.8265","0.0009","90","","90","","90","","577","0.3","","","293","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Ca4.3 O30 W10 -","- Ca4.26 O30 W10 -","- Ca4.26 O30 W10 -","1","0.0625","","Wachsmann, Ch.; Jacobs, H.","Ca4.4(2)W10O30: a tetragonal tungsten bronze with a high calcium content","European Journal of Solid State and Inorganic Chemistry","1995","32","","1023","1035","","","x-ray","0.71073","MoKα","","","0.0361","","","0.0485","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030742","9.39","0.001","7.678","0.001","12.992","0.001","90","","104.12","0.01","90","","908.38","0.17","","","293","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","","","- C4 H4 Ce Li O10 -","- C4 Ce Li O10 -","- C16 Ce4 Li4 O40 -","4","1","","Romero, S.; Mosset, A.; Trombe, J.-C.","Synthesis, characterization and structure of two new families of mixed oxalates; [M(Ln(H2O)n](C2O4).H2O with M = Li, Ln = La...Gd, n=1 or M = Na, Ln = Ce...Nd, n = 2","European Journal of Solid State and Inorganic Chemistry","1995","32","","1053","1063","","","x-ray","0.71073","MoKα","","","0.023","","","0.027","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030743","10.066","0.001","7.614","0.001","13.139","0.001","90","","102.12","0.02","90","","984.56","0.19","","","293","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","","","- C4 H6 Ce Na O11 -","- C4 Ce Na O11 -","- C16 Ce4 Na4 O44 -","4","1","","Romero, S.; Mosset, A.; Trombe, J.-C.","Synthesis, characterization and structure of two new families of mixed oxalates; [M(Ln(H2O)n](C2O4).H2O with M = Li, Ln = La...Gd, n=1 or M = Na, Ln = Ce...Nd, n = 2","European Journal of Solid State and Inorganic Chemistry","1995","32","","1053","1063","","","x-ray","0.71073","MoKα","","","0.02","","","0.028","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030744","9.7621","0.0001","9.7621","0.0001","9.3586","0.0002","90","","90","","120","","772.37","0.02","","","293","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- Al4 Cu0.215 Mg1.785 O18 Si5 -","- Al3.999 Cu0.214 Mg1.786 O18 Si5.001 -","- Al7.998 Cu0.428 Mg3.572 O36 Si10.002 -","2","0.0833333","","Chen, Y F; Rabu, P; Pourroy, G; Vilminot, S","Phase evolution with thermal treatment in the system cordierite-CuO","European Journal of Solid State Inorganic Chemistry","1995","32","","1065","1076","","powder diffraction","x-ray","1.7889","CoKα","","","","","","","","","0.0401","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030745","9.7659","0.0005","9.7659","0.0005","9.3482","0.0003","90","","90","","120","","772.12","0.06","","","293","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- Al4 Cu0.17 Mg1.83 O18 Si5 -","- Al3.999 Cu0.17 Mg1.83 O18 Si5.001 -","- Al7.998 Cu0.34 Mg3.66 O36 Si10.002 -","2","0.0833333","","Chen, Y F; Rabu, P; Pourroy, G; Vilminot, S","Phase evolution with thermal treatment in the system cordierite-CuO","European Journal of Solid State Inorganic Chemistry","1995","32","","1065","1076","","powder diffraction","x-ray","1.7889","CoKα","","","","","","","","","0.0307","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030746","9.7589","0.0006","9.7589","0.0006","9.3256","0.0003","90","","90","","120","","769.15","0.07","","","293","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- Al4 Cu0.09 Mg1.91 O18 Si5 -","- Al3.999 Cu0.09 Mg1.91 O18 Si5.001 -","- Al7.998 Cu0.18 Mg3.82 O36 Si10.002 -","2","0.0833333","","Chen, Y F; Rabu, P; Pourroy, G; Vilminot, S","Phase evolution with thermal treatment in the system cordierite-CuO","European Journal of Solid State Inorganic Chemistry","1995","32","","1065","1076","","powder diffraction","x-ray","1.7889","CoKα","","","","","","","","","0.0439","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030747","12.979","0.001","12.979","0.001","7.755","0.002","90","","90","","120","","1131.3","0.3","","","293","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C3 H18 F9 O18 S3 Sc -","- C3 F9 O18 S3 Sc -","- C6 F18 O36 S6 Sc2 -","2","0.166667","","Bisi Castellani, C.; Carugo, O.; Giusti, M.; Sardone, N.","Crystal structure of scandium(III) triflate enneahydrated","European Journal of Solid State and Inorganic Chemistry","1995","32","","1089","1099","","","x-ray","1.54184","CuKα","","","0.079","","","0.074","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030757","8.7","0.003","13.014","0.001","17.233","0.007","90","","101.13","0.03","90","","1914.5","1","","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 O11 Zn3 -","- C12 O11 Zn3 -","- C48 O44 Zn12 -","4","1","","Jouini, N.; Poul, L.; Fievet, F.; Robert, F.","Synthesis and crystal structure of the first alkoxyacetate od zinc: Zn3(CH3COO)4(DEG) with DEG: O-CH2-CH2-O-CH2-CH2-O","European Journal of Solid State and Inorganic Chemistry","1995","32","","1129","1136","","","x-ray","0.71069","MoKα","","","0.047","","","0.055","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030758","9.9026","0.0006","7.1823","0.0005","4.134","0.0003","90","","90","","90.2","0.01","294.02","0.03","","","293","","","","","","","","","3","P 1 1 2","P 2","3","","","","- Mo5 O16 U -","- Mo5 O16 U -","- Mo5 O16 U -","1","0.5","","Tabachenko, V. V.; D Yachenko, O. G.; Sundberg, M.","The crystal structures of UMo5O16 and U0.75Mo5O16 studies by X-ray diffraction and high-resolution electron microscopy","European Journal of Solid State and Inorganic Chemistry","1995","32","","1137","1149","","","x-ray","0.71073","MoKα","","","0.042","","","0.042","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030759","9.9","0.0008","7.1889","0.0006","4.1074","0.0004","90","","90","","90","","292.32","0.04","","","293","","","","","","","","","3","P 2 2 2","P 2 2","16","","","","- Mo5 O16 U0.75 -","- Mo5 O16 U0.75 -","- Mo5 O16 U0.75 -","1","0.25","","Tabachenko, V. V.; D Yachenko, O. G.; Sundberg, M.","The crystal structures of UMo5O16 and U0.75Mo5O16 studies by X-ray diffraction and high-resolution electron microscopy","European Journal of Solid State and Inorganic Chemistry","1995","32","","1137","1149","","","x-ray","0.71073","MoKα","","","0.056","","","0.048","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030760","9.885","0.0007","7.1672","0.0007","4.1332","0.0003","90","","90","","90","","292.83","0.04","","","293","","","","","","","","","3","P 2 2 2","P 2 2","16","","","","- Mo5 O16 U -","- Mo5 O16 U -","- Mo5 O16 U -","1","0.25","","Tabachenko, V. V.; D Yachenko, O. G.; Sundberg, M.","The crystal structures of UMo5O16 and U0.75Mo5O16 studies by X-ray diffraction and high-resolution electron microscopy","European Journal of Solid State and Inorganic Chemistry","1995","32","","1137","1149","","","x-ray","0.71073","MoKα","","","0.06","","","0.058","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4078347","9.4771","0.0014","13.267","0.002","8.8592","0.0014","104.94","0.02","102.778","0.014","79.516","0.013","1040.3","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H20 F6 Fe N O2 P Si -","- C17 H20 F6 Fe N O2 P Si -","- C34 H40 F12 Fe2 N2 O4 P2 Si2 -","2","1","","Kobayashi, Hideki; Ueno, Keiji; Ogino, Hiroshi","Synthesis of the Cationic Silyleneiron Complex [(.eta.-C5H5)Fe(CO)2:SiMe{2-(Me2NCH2)C6H4}]PF6 by Hydride Abstraction from a (Hydrosilyl)iron Complex with Ph3CPF6","Organometallics","1995","14","12","5490","","10.1021/om00012a014","","","0.71073","MoKα","","0.1662","0.0637","","0.1846","0.1399","","","","1.008","1.12","1.12","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078348","14.157","0.002","16.027","0.003","11.843","0.002","90","","92.83","0.02","90","","2683.8","0.8","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 Cl2 F6 Fe N O3 P Si -","- C19 H26 Cl2 F6 Fe N O3 P Si -","- C76 H104 Cl8 F24 Fe4 N4 O12 P4 Si4 -","4","1","","Kobayashi, Hideki; Ueno, Keiji; Ogino, Hiroshi","Synthesis of the Cationic Silyleneiron Complex [(.eta.-C5H5)Fe(CO)2:SiMe{2-(Me2NCH2)C6H4}]PF6 by Hydride Abstraction from a (Hydrosilyl)iron Complex with Ph3CPF6","Organometallics","1995","14","12","5490","","10.1021/om00012a014","","","0.71073","MoKα","","0.3035","0.0729","","0.2525","0.1622","","","","0.99","1.226","1.226","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4114080","22.6242","","13.3503","","12.3642","","90","","68.913","","90","","3484.4","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","CIT-1","","- O112 Si56 -","- O112 Si56 -","- O112 Si56 -","1","0.125","","Lobo, R. F.; Davis, M. E.","CIT-1: A New Molecular Sieve with Intersecting Pores Bounded by 10- and 12-Rings","J. Am. Chem. Soc.","1995","117","","3766","3779","10.1021/ja00118a013","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119062","4.624","","4.624","","23.326","","90","","90","","90","","498.742","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","K0.33 Ba0.67 Ag Te2","","- Ag Ba0.67 K0.33 Te2 -","- Ag Ba0.67 K0.33 Te2 -","- Ag4 Ba2.68 K1.32 Te8 -","4","0.125","","Kannewurf, C.R.; Kanatzidis, M.G.; Guo, H.-Y.; Zhang, X.; Hogan, T.; Li, J.; Lee, S.; Foran, B.","Distorted square nets of tellurium in the novel quaternary polytelluride K0.33 Ba0.67 Ag Te2","Journal of the American Chemical Society","1995","117","","10513","10520","10.1021/ja00147a012","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119068","6.508","","15.164","","6.518","","90","","90","","90","","643.244","","","","","","","","","","","","","4","C 2 2 2","C 2 2","21","","Cs2 Ag2 Zr Te4","","- Ag2 Cs2 Te4 Zr -","- Ag2 Cs2 Te4 Zr -","- Ag4 Cs4 Te8 Zr2 -","2","0.25","","Ibers, J.A.; Pell, M.A.","Cs2 Ag2 Zr Te4 : a new layered telluride containing tetrahedrally coordinated zirconium","Journal of the American Chemical Society","1995","117","","6284","6286","10.1021/ja00128a016","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4125866","11.568","0.007","14.244","0.003","8.118","0.003","97.44","0.02","103","0.04","94.64","0.03","1284","1","153.2","","153.2","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H28 Co Li3 N9 O4 -","- C17 H28 Co Li3 N9 O4 -","- C34 H56 Co2 Li6 N18 O8 -","2","1","","Dorai Ramprasad; Guido P. Pez; Brian H. Toby; Thomas J. Markley; Ronald M. Pearlstein","Solid State Lithium Cyanocobaltates with a High Capacity for Reversible Dioxygen Binding: Synthesis, Reactivity, and Structures","Journal of the American Chemical Society","1995","117","","10694","10701","10.1021/ja00148a011","","","0.7107","MoKalpha","","","0.0774","","","0.085","","","","","2.308","2.308","","","","","has coordinates","194294","2020-10-21","18:00:00",""
"4125867","15.4455","0.0008","8.4217","0.0004","14.1511","0.0008","90","","97.778","0.026","90","","1823.8","0.2","","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Co Li3 N7 O2 -","- C11 Co Li3 N7 O2 -","- C44 Co4 Li12 N28 O8 -","4","1","","Dorai Ramprasad; Guido P. Pez; Brian H. Toby; Thomas J. Markley; Ronald M. Pearlstein","Solid State Lithium Cyanocobaltates with a High Capacity for Reversible Dioxygen Binding: Synthesis, Reactivity, and Structures","Journal of the American Chemical Society","1995","117","","10694","10701","10.1021/ja00148a011","powder diffraction","x-ray","1.29945","synchrotron","","","","","","","","","0.0514","","","","1.728","","","","has coordinates","194295","2020-10-21","18:00:00",""
"4331385","5.218","","5.579","","8.934","","76.08","","88.93","","65.08","","227.926","","","","","","","","","","","","","3","P -1","-P 1","2","","Ag (Bi F6)2","","- Ag Bi2 F12 -","- Ag Bi2 F12 -","- Ag Bi2 F12 -","1","0.5","","Lucier, G.; Casteel, W.J.jr.; Bartlett, N.; Muenzenberg, J.","Preparation and structural and magnetic properties of (Ag F)(+) (M F6)(-) (M=Ir,Ru,Sb,Bi) and Ag(2+) ((Bi F6)(-))2","Inorganic Chemistry","1995","34","","2692","2698","10.1021/ic00114a030","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331395","7.628","","7.067","","10.253","","90","","90","","90","","552.709","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ag F (Ir F6)","","- Ag F7 Ir -","- Ag F7 Ir -","- Ag4 F28 Ir4 -","4","0.5","","Lucier, G.; Bartlett, N.; Muenzenberg, J.; Casteel, W.J.jr.","Preparation and structural and magnetic properties of (Ag F)(+) (M F6)(-) (M=Ir,Ru,Sb,Bi) and Ag(2+) ((Bi F6)(-))2","Inorganic Chemistry","1995","34","","2692","2698","10.1021/ic00114a030","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331396","8.3432","","5.4933","","11.9286","","90","","108.36","","90","","518.878","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ag F (Ru F6)","","- Ag F7 Ru -","- Ag F7 Ru -","- Ag4 F28 Ru4 -","4","1","","Lucier, G.; Bartlett, N.; Muenzenberg, J.; Casteel, W.J.jr.","Preparation and structural and magnetic properties of (Ag F)(+) (M F6)(-) (M=Ir,Ru,Sb,Bi) and Ag(2+) ((Bi F6)(-))2","Inorganic Chemistry","1995","34","","2692","2698","10.1021/ic00114a030","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4344385","11.578","","11.578","","6.11","","90","","90","","120","","709.315","","","","","","","","","","","","","5","P 3 1 m","P 3 -2","157","","((C H3)4 N)2 ((Se2)3 Se (Mo Se2)3)","","- C8 H24 Mo3 N2 Se13 -","- C8 H24 Mo3 N2 Se13 -","- C8 H24 Mo3 N2 Se13 -","1","0.166667","","Liao, J.-H.; Li, J.; Kanatzidis, M.G.","Anion-anion interactions involving the (Mo3 Se13)2cluster. Synthesis and characterization of (Me4 N)2 Mo3 Se13, K2 Mo3 Se12.5 O0.5, and K6 Mo6 Se27 (H2 O)6","Inorganic Chemistry","1995","34","","2658","2670","","","","","","","","","","","","","","","","","","","","","","has coordinates","198674","2020-10-21","18:00:00",""
"5000082","7.696","0.005","10.227","0.002","23.688","0.005","90","","90","","90","","1864.41","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","tetrahydrocortisol","","","- C21 H34 O5 -","- C21 H34 O5 -","- C84 H136 O20 -","4","1","","Ribár, B.; Vladimirov, S.; Živanov-Stakić, D.; Strumpel, M.","Crystal structure of tetrahydrocortisol","Journal of Chemical Crystallography","1995","25","8","499","503","10.1007/BF01665707","","","","","","","","","","","","","","","","","","","","","has coordinates","187370","2020-10-21","18:00:00",""
"5000094","9.203","0.002","9.203","0.002","9.172","0.002","90","","90","","120","","672.7","","","","","","","","","","","","","4","P 6/m c c","-P 6 2c","192","","Dialuminium triberyllium cyclo-hexasilicate","Beryl","?","- Al2 Be3 O18 Si6 -","- Al4 Be6 O36 Si12 -","2","0.0833333","","Lee, J-S; Lee, P-L; Yu, S-C","","Journal of the Geological Society of China (Taiwan)","1995","38","","273","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"5000235","12.559","0.003","14.263","0.003","13.739","0.001","90","","106.13","0.01","90","","2364.17","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C50 H70 O14 -","- C50 H70 O14 -","- C100 H140 O28 -","2","1","","Nicolaou, K. C.; Rutjes, F. P. J. T.; Theodorakis, E. A.; Tiebes, J.; Sato, M.; Untersteller, E.","Total Synthesis of Brevetoxin B. 3. Final Strategy and Completion","Journal of the American Chemical Society","1995","117","41","10252","10263","10.1021/ja00146a010","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000266","6.972","0.001","13.115","0.003","21.258","0.003","90","","90","","90","","1943.78","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl6 N2 O2 -","- C14 H16 Cl6 N2 O2 -","- C56 H64 Cl24 N8 O8 -","4","1","","Su, Jing-Yu; Zhong, Yong-Li; Zeng, Long-Mei; Lu, Yang; Tian, Zhi-Yue; Zheng, Qi-Tai","Studies on structure and conformation of marine polychlorinated diketopiperazines","Acta Chimica Sinica","1995","53","1","90","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","187394","2020-10-21","18:00:00",""
"5000309","13.302","0.004","13.265","0.004","15.905","0.005","87.51","0.01","96.65","0.01","86.66","0.01","2779.3","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H55 Cl5 N4 O20 V4 -","- C43 H55 Cl5 N4 O20 V4 -","- C86 H110 Cl10 N8 O40 V8 -","2","1","","Castro, Stephanie L.; Sun, Ziming; Bollinger, John C.; Hendrickson, David N.; Christou, George","Tetranuclear vanadium(III) carboxylate chemistry, and a new example of a metal butterfly complex exhibiting spin frustration: structure and properties of [V~4~O~2~(O~2~CEt)~7~(bpy)~2~](ClO~4~)","Journal of the Chemical Society, Chemical Communications","1995","","24","2517","2548","10.1039/C39950002517","","","0.71073","MoKα","","0.0905","0.0716","","0.1719","0.1649","","","","1.858","2.059","2.059","","","","","has coordinates","277867","2022-09-15","08:51:10",""
"6000214","8.708","","8.321","","9.836","","90","","95.437","","90","","709.5","","","","","","","","","","","","","4","C 1 2/c 1","","","","","","- C3 H5 N O -","","","","","","Deboer, J. S. A. M.; Schenk, H.","The influence of substituents on the geometry of the cyclopropane ring. 8. the molecular and crystal-structures of azocyclopropane N,N'-dioxide and 1,1'-dimethylazocyclopropane N,N'-dioxide","Recueil des Travaux Chimiques des Pays-Bas","1995","114","9-10","395","397","10.1002/recl.19951140904","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000215","10.727","","7.181","","5.969","","90","","90.52","","90","","459.78","","","","","","","","","","","","","4","P 1 21/n 1","","","","","","- C4 H7 N O -","","","","","","Deboer, J. S. A. M.; Schenk, H.","The influence of substituents on the geometry of the cyclopropane ring. 8. the molecular and crystal-structures of azocyclopropane N,N'-dioxide and 1,1'-dimethylazocyclopropane N,N'-dioxide","Recueil des Travaux Chimiques des Pays-Bas","1995","114","9-10","395","397","10.1002/recl.19951140904","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000216","13.663","","12.05","","7.6337","","90","","90","","90","","1256.81","","","","","","","","","","","","","4","C m c m","","","","","","- H6 K2 Mo3 O13 -","","","","","","Lasocha, W.; Jansen, J.; Schenk, H.","crystal-structure of fibrillar potassium trimolybdate K2Mo2O10.3H(2)O by direct method powder diffraction package","Journal of Solid State Chemistry","1995","115","","225","228","10.1006/jssc.1995.1124","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000217","11.0701","0.0007","7.6131","0.0007","25.55","0.002","90","","90","","90","","2153.3","0.5","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H16 Mo3 N O14 -","","","4","0.5","","Lasocha, W.; Jansen, J.; Schenk, H.","crystal-structure of fibrillar anilinum trimolybdate 2(C6H5NH3).Mo3O10.4H(2)O X-ray-powder data","Journal of Solid State Chemistry","1995","117","","103","107","10.1006/jssc.1995.1252","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000219","9.638","","7.577","","8.537","","90","","112.89","","90","","574.34","","","","","","","","","","","","","4","P 1 21/m 1","","","","","","- H10 Mo3 N2 O11 -","","","","","","Lasocha, W.; Jansen, J.; Schenk, H.","Crystal-structure of ammonium trimolybdate monohydrate (NH4)(2)Mo3O10-center-dot-H2O by powder diffraction method","Journal of Solid State Chemistry","1995","116","","422","426","10.1006/jssc.1995.1235","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000537","7.7107","","7.7107","","7.7107","","90","","90","","90","","458.44","","","","","","","","","","","","","4","P -4 3 m","","","","","","- Ge7 H18.44 N3 O18.72 -","","","","","","Roberts, M. A.; Fitch, A. N.; Chadwick, A. V.","The crystal-structures of (NH4)(3)HGE7O16-center-dot-NH(2)O and Li4-XHXGe7O16-center-dot-NH(2)O determined from powder diffraction data using synchrotron-radiation","Journal of Physics and Chemistry of Solids","1995","56","","1353","1358","10.1016/0022-3697(95)00069-0","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000538","7.7194","","7.7194","","7.7194","","90","","90","","90","","459.99","","","","","","","","","","","","","4","P -4 3 m","","","","","","- Ge7 H12.22 Li4 O21.61 -","","","","","","Roberts, M. A.; Fitch, A. N.; Chadwick, A. V.","The crystal-structures of (NH4)(3)HGE7O16-center-dot-NH(2)O and Li4-XHXGe7O16-center-dot-NH(2)O determined from powder diffraction data using synchrotron-radiation","Journal of Physics and Chemistry of Solids","1995","56","","1353","1358","10.1016/0022-3697(95)00069-0","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000547","8.739","","8.739","","12.32","","90","","90","","90","","940.88","","","","","","","","","","","","","3","I 4","","","","","","- Br Cl14 P3 -","","","","","","Gates, P. N.; Knachel, H. C.; Finch, A.; Fratini, A. V.; Fitch, A. N.; Nardone, O.; Otto, J. C.; Snider, D. A.","Single-crystal and high-resolution X-ray-diffraction studies and Raman-spectrum of a phosphorus(V) chloride complex containing a single bromide ion, P~3~Cl~14~Br","Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999)","1995","","","2719","2722","10.1039/DT9950002719","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000564","6.7304","","19.39","","12.794","","90","","100.213","","90","","1643.19","","","","","","","","","","","","","2","P 1 21/c 1","","","","","","- O18 Pr10 -","","","","","","Zhang, J.; Vondreele, R. B.; Eyring, L.","Structures in the oxygen-deficient fluorite-related R(N)O(2N-2) homologous series - PR10O18","Journal of Solid State Chemistry","1995","118","","141","147","10.1006/jssc.1995.1322","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000565","6.7396","","8.711","","6.6726","","97.424","","99.973","","75.301","","371.7","","","","","","","","","","","","","2","P -1","","","","","","- O16 Pr9 -","","","","","","Zhang, J.; Vondreele, R. B.; Eyring, L.","Structures in the oxygen-deficient fluorite-related R(N)O(2N-2) homologous series - PR9O16","Journal of Solid State Chemistry","1995","118","","133","140","10.1006/jssc.1995.1321","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000591","5.88","","12.945","","5.677","","90","","90","","90","","432.11","","","","","","","","","","","","","4","C m c m","","","","","","- Ba Bi Cl O2 -","","","","","","Kennard, M. A.; Darriet, J.; Grannec, J.; Tressaud, A.","Cation ordering in the sillen X(1)-type oxychloride, BaBiO2Cl","Journal of Solid State Chemistry","1995","117","","201","205","10.1006/jssc.1995.1263","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000594","7.523","","7.161","","10.258","","90","","90","","90","","552.62","","","","","","","","","","","","","4","P n m a","","","","","","- Al Cs F6 Pd -","","","","","","Ruchaud, N.; Grannec, J.; Tressaud, A.; Gravereau, P.","The palladium(II) ordered pyrochlore: CsPdAlF6","Comptes Rendus de l'Academie des Sciences, Serie IIb: Mecanique, Physique, Chimie, Astronomie","1995","321","","507","513","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000668","6.2269","","6.2269","","12.3122","","90","","90","","120","","413.44","","","","","","","","","","","","","3","P 63/m c m","","","","","","- Ca6 Mn N5 -","","","","","","Gregory, D. H.; Barker, M. G.; Edwards, P. P.; Siddons, D. J.","Synthesis and structure of Ca6MnN5 - a new nitridomanganate with planar [MnN3](6-)anions","Inorganic Chemistry","1995","34","","5195","5198","10.1021/ic00125a017","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000669","9.5058","","9.5058","","14.19","","90","","90","","90","","1282.21","","","","","","","","","","","","","6","I 4","","","","","","- C8 H24 Ge4 Mn N2 S10 -","","","","","","Achak, O.; Pivan, J. Y.; Maunaye, M.; Louer, M.; Louer, D.","The ab-initio structure determination of [(CH3)(4)N]2GE4MNS10 from X-ray-powder diffraction data","Journal of Alloys and Compounds","1995","219","","111","115","10.1016/0925-8388(94)05021-X","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000671","5.7104","","10.9521","","12.2881","","90","","90.986","","90","","768.39","","","","","","","","","","","","","3","C 1 2/c 1","","","","","","- N3 Sr2 V -","","","","","","Gregory, D. H.; Barker, M. G.; Edwards, P. P.; Siddons, D. J.","Synthesis and structure of SR2VN3 and BA2VN3, 2 new nitridovanadates","Inorganic Chemistry","1995","34","","3912","3916","10.1021/ic00119a012","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000672","5.8614","","11.4682","","12.9121","","90","","90","","90","","867.95","","","","","","","","","","","","","3","C m c a","","","","","","- Ba2 N3 V -","","","","","","Gregory, D. H.; Barker, M. G.; Edwards, P. P.; Siddons, D. J.","Synthesis and structure of SR2VN3 and BA2VN3, 2 new nitridovanadates","Inorganic Chemistry","1995","34","","3912","3916","10.1021/ic00119a012","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000675","9.791","","8.848","","6.834","","90","","107.8","","90","","563.69","","","","","","","","","","","","","3","C 1 2/m 1","","","","","","- Cr O4 V -","","","","","","Touboul, M.; Melghit, K.","Synthesis by chimie-douce and properties of Chromium(III) Vanadates(V)","Journal of Materials Chemistry","1995","5","","147","150","10.1039/jm9950500147","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000676","8.277","","9.291","","7.527","","90","","109.26","","90","","546.44","","","","","","","","","","","","","3","?","","","","","","- Cr2 O13 V4 -","","","","","","Touboul, M.; Melghit, K.","Synthesis by chimie-douce and properties of Chromium(III) Vanadates(V)","Journal of Materials Chemistry","1995","5","","147","150","10.1039/jm9950500147","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000684","9.765","0.001","8.818","0.003","6.8224","0.0009","90","","107.62","0.01","90","","559.9","0.2","","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cr O4 V -","- Cr O4 V -","- Cr8 O32 V8 -","8","1","","Touboul, M.; Denis, S.; Seguin, L.","Crystal-structure of a new form of Chromium(III) vanadate(V), CrVO4-I","European Journal of Solid State and Inorganic Chemistry","1995","32","","577","588","","powder diffraction","x-ray","1.54184","CuKα","","0.061","","","","","","","0.063","","","","","","","","has coordinates","190905","2020-10-21","18:00:00",""
"6000691","9.1146","","6.767","","7.6137","","90","","102.61","","90","","458.27","","","","","","","","","","","","","4","C 1 2/m 1","","","","","","- H3 N O6 Zr -","","","","","","Benard, P.; Louer, D.","The layer structure of ZR(OH)(3)NO3 determined ab-initio using conventional monochromatic X-ray-powder diffraction","Journal of Physics and Chemistry of Solids","1995","56","","1345","1352","10.1016/0022-3697(95)00068-2","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000692","7.442","0.002","7.403","0.001","10.531","0.001","90","","90","","90","","580.19","","","","","","","","","","","","","3","P m n 21","","","","","","- Ag7 S6 Ta -","","","","","","Onoda, M.; Wada, H.; Yukino, K.; Ishii, M.","Powder X-ray-diffraction of low-temperature phases of Argyrodite-family compound AG7TAS6","Solid State Ionics","1995","79","","75","80","10.1016/0167-2738(95)00033-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000693","12.0777","","6.9723","","6.304","","90","","90","","90","","530.86","","","","","","","","","","","","","3","C 2 2 2","","","","","","- Ca O4 S -","","","","","","Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S.","Investigation of the crystal-structure of gamma-CaSO4, CaSO4.0.5 H2O, and CaSO4.0.6 H2O by powder diffraction methods","Journal of Solid State Chemistry","1995","117","","165","176","10.1006/jssc.1995.1260","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000694","12.0317","","6.9269","","12.6712","","90","","90.27","","90","","1056.04","","","","","","","","","","","","","4","I 1 2 1","","","","","","- Ca H O4.5 S -","","","","","","Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S.","Investigation of the crystal-structure of gamma-CaSO4, CaSO4.0.5 H2O, and CaSO4.0.6 H2O by powder diffraction methods","Journal of Solid State Chemistry","1995","117","","165","176","10.1006/jssc.1995.1260","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000695","11.9845","","6.9292","","12.7505","","90","","90","","90","","1058.84","","","","","","","","","","","","","4","I 1 2 1","","","","","","- Ca H1.2 O4.6 S -","","","","","","Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S.","Investigation of the crystal-structure of gamma-CaSO4, CaSO4.0.5 H2O, and CaSO4.0.6 H2O by powder diffraction methods","Journal of Solid State Chemistry","1995","117","","165","176","10.1006/jssc.1995.1260","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000707","9.003","0.001","8.684","0.0008","13.533","0.001","90","","96.8","0.01","90","","1050.6","0.17","","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ce H16 Mg N6 O26 -","- Ce Mg N6 O26 -","- Ce2 Mg2 N12 O52 -","2","0.5","","Guillou, N.; Louer, M.; Auffredic, J.-P.; Louer, D.","Structures and thermal-behavior of Ce(IV) magnesium-nitrate hydrates","European Journal of Solid State and Inorganic Chemistry","1995","32","","35","47","","","x-ray","0.71073","MoKα","","","0.044","","","0.056","","","","","","","","","","","has coordinates","190905","2020-10-21","18:00:00",""
"6000708","12.5702","0.0007","12.5702","0.0007","12.5702","0.0007","90","","90","","90","","1986.2","0.3","","","295","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- Ce H12 Mg N6 O24 -","- Ce Mg N6 O24 -","- Ce4 Mg4 N24 O96 -","4","0.166667","","Guillou, N.; Louer, M.; Auffredic, J.-P.; Louer, D.","Structures and thermal-behavior of Ce(IV) magnesium-nitrate hydrates","European Journal of Solid State and Inorganic Chemistry","1995","32","","35","47","","powder diffraction","x-ray","1.54059","CuKα","","","","","","","","","0.067","","","","","","","","has coordinates","190905","2020-10-21","18:00:00",""
"6000749","9.4919","0.0002","9.4919","0.0002","9.4919","0.0002","90","","90","","90","","855.18","0.05","","","293","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Bi2 Na O11 Sb3 -","- Bi2 Na O11 Sb3 -","- Bi8 Na4 O44 Sb12 -","4","0.166667","","Champarnaud-Mesjard, J.-C.; Frit, B.; Aftati, A.; Elfarissi, M.","NaBi2Sb3O11 - an ordered structure related to the cubic KSbO3 type","European Journal of Solid State and Inorganic Chemistry","1995","32","","493","504","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","","0.0249","","","","","","","","has coordinates","190905","2020-10-21","18:00:00",""
"7042212","11.435","0.002","10.488","0.001","9.024","0.002","90","","108.6","0.01","90","","1025.7","0.3","","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cs Fe3 H4 O14 P3 -","- Cs Fe3 O14 P3 -","- Cs4 Fe12 O56 P12 -","4","0.5","","Lii, Kwang-Hwa; Huang, Chih-Yuan","CsFe3(PO4)3(OH2)2 : a mixed-valence iron phosphate containing trimeric units of iron-oxygen polyhedra","Journal of the Chemichal Society, Dalton Transactions","1995","","","571","574","10.1039/DT9950000571","","x-ray","0.7093","MoKα","","","0.0198","","","0.0241","","","","","","","","","","","has coordinates","192489","2020-10-21","18:00:00",""
"7042315","6.307","0.001","10.33","0.002","20.23","0.003","88.65","0.01","84.83","0.01","72.37","0.01","1251","0.4","","","296","","","","","","","","","4","P -1","-P 1","2","","","","- Cs3 O29 P7 Ti5 -","- Cs3 O29 P7 Ti5 -","- Cs6 O58 P14 Ti10 -","2","1","","Lii, Kwang-Hwa","Cs3Ti5P7O29 : a titanium(IV) phosphate containing TiO5 trigonal bipyramids","Journal of the Chemichal Society, Dalton Transactions","1995","","","927","930","10.1039/DT9950000927","","x-ray","0.7093","MoKα","","","0.0396","","","0.0451","","","","","","","1.32","","","","has coordinates","192826","2020-10-21","18:00:00",""
"7209334","4.67","","7.4","","7.981","","90","","90","","90","","275.807","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Eu Ag Ge","","- Ag Eu Ge -","- Ag Eu Ge -","- Ag4 Eu4 Ge4 -","4","0.25","","Poettgen, R.","Preparation and crystal structure of Eu Ag Ge","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1071","1074","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209383","4.601","","7.371","","7.881","","90","","90","","90","","267.276","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Eu Au Ge","","- Au Eu Ge -","- Au Eu Ge -","- Au4 Eu4 Ge4 -","4","0.5","","Poettgen, R.","Crystal structure, magnetic susceptibility and electrical conductivity of Eu Au Ge: a new ordered version of the Ce Cu2 - type structure","Journal of Materials Chemistry","1995","5","","505","508","10.1039/jm9950500505","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209433","3.2738","","14.794","","9.1539","","90","","95.794","","90","","441.082","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cu (Cu1.63 Zn0.37) (B2 O5) O","","- B2 Cu2.63 O6 Zn0.37 -","- B2 Cu2.63 O6 Zn0.37 -","- B8 Cu10.52 O24 Zn1.48 -","4","1","","Bluhm, K.; Busche, S.","Zur Synthese und Kristallstruktur von Kupferzinkpyroboratoxid: Cu2 Zn (B2 O5) O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1854","1858","","","","","","","","","","","","","","","","","","","","","","has coordinates","180425","2020-10-21","18:00:00",""
"7209438","9.2641","","12.366","","3.0455","","90","","90","","90","","348.892","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Zn5 Mn (B O3)2 O4","","- B2 Mn O10 Zn5 -","- B2 Mn O10 Zn5 -","- B4 Mn2 O20 Zn10 -","2","0.25","","Busche, S.; Bluhm, K.","Zur Synthese und Kristallstruktur von Zinkboratoxiden mit isolierten, trigonal planaren BO3-Baugruppen: Zn5Mn(BO3)2O4 und ZnFe(BO3)O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1450","1454","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209439","3.3128","","6.1387","","9.222","","104.067","","90.672","","92.413","","181.709","","","","","","","","","","","","","4","P -1","-P 1","2","","Ni1.5 Zn0.5 (B2 O5)","","- B2 Ni1.5 O5 Zn0.5 -","- B2 Ni1.5 O5 Zn0.5 -","- B4 Ni3 O10 Zn -","2","1","","Bluhm, K.; Busche, S.","Synthese und Kristallstruktur der ersten zinkhaltigen Pyroborate Ni1.5Zn0.5(B2O5) und Co1.5Zn0.5(B2O5)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1445","1449","","","","","","","","","","","","","","","","","","","","","","has coordinates","180425","2020-10-21","18:00:00",""
"7209447","3.399","","15.09","","9.269","","90","","93.185","","90","","474.681","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cu2 Cd (B2 O5) O","","- B2 Cd Cu2 O6 -","- B2 Cd Cu2 O6 -","- B8 Cd4 Cu8 O24 -","4","1","","Muenchau, S.; Bluhm, K.","Zur Synthese und Kristallstruktur von Kupfercadmiumpyroboratoxid: Cu2 Cd (B2 O5) O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1151","1154","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209457","3.1589","","6.1284","","9.2772","","104.103","","91.02","","92.54","","173.937","","","","","","","","","","","","","4","P -1","-P 1","2","","Co1.5 Zn0.5 (B2 O5)","","- B2 Co1.5 O5 Zn0.5 -","- B2 Co1.5 O5 Zn0.5 -","- B4 Co3 O10 Zn -","2","1","","Bluhm, K.; Busche, S.","Synthese und Kristallstruktur der ersten zinkhaltigen Pyroborate Ni1.5Zn0.5(B2O5) und Co1.5Zn0.5(B2O5)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1445","1449","","","","","","","","","","","","","","","","","","","","","","has coordinates","180425","2020-10-21","18:00:00",""
"7209458","3.8974","","3.8974","","26.64929","","90","","90","","90","","404.795","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","(Nd1.5 Ce0.5) (Sr1.5 Nd0.5) Cu2 O6 (B O3)","","- B Ce0.5 Cu2 Nd2 O9 Sr1.5 -","- B Ce0.5 Cu2 Nd2 O9 Sr1.5 -","- B2 Ce Cu4 Nd4 O18 Sr3 -","2","0.0625","","Li, R.-K.","Preparation and structure of Nd2 Sr1.5 Ce0.5 Cu2 O6 B O3: a 1222 phase containing a borate group as a connecting element","Journal of Materials Chemistry","1995","5","","1973","1974","10.1039/jm9950501973","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209460","9.281","","3.111","","9.401","","90","","90","","90","","271.437","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Co1.50 Ti.50) (B O3) O","","- B Co1.5 O4 Ti0.5 -","- B Co1.5 O4 Ti0.5 -","- B4 Co6 O16 Ti2 -","4","0.5","","Bluhm, K.; Utzolino, A.","Die Synthese und Kristallstruktur von cobalthaltigen Boratoxiden: Co1,5 Ti0,5 (B O3) O und Co1.5 Zr0.5 (B O3) O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1653","1657","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209461","9.495","","3.234","","9.347","","90","","90","","90","","287.017","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Co1.5 Zr0.5) (B O3) O","","- B Co1.5 O4 Zr0.5 -","- B Co1.5 O4 Zr0.5 -","- B4 Co6 O16 Zr2 -","4","0.5","","Bluhm, K.; Utzolino, A.","Die Synthese und Kristallstruktur von cobalthaltigen Boratoxiden: Co1,5 Ti0,5 (B O3) O und Co1.5 Zr0.5 (B O3) O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1653","1657","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209465","9.3992","","3.1941","","9.3911","","90","","90","","90","","281.939","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Fe Mn (B O3) O","","- B Fe Mn O4 -","- B Fe Mn O4 -","- B4 Fe4 Mn4 O16 -","4","0.5","","Bluhm, K.; Utzolino, A.","Zur Synthese und Kristallstruktur von manganhaltigen Boratoxiden: Mn Fe (B O3) O und Mn Al0.5 Y0.5 (B O3) O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1146","1150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209466","9.2462","","3.141","","9.353","","90","","90","","90","","271.633","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Zn Fe (B O3) O","","- B Fe O4 Zn -","- B Fe O4 Zn -","- B4 Fe4 O16 Zn4 -","4","0.5","","Busche, S.; Bluhm, K.","Zur Synthese und Kristallstruktur von Zinkboratoxiden mit isolierten, trigonalen planaren BO3-Baugruppen: Zn5Mn(BO3)2O4 und ZnFe(BO3)O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1450","1454","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209471","6.9459","","14.199","","21.116","","90","","90","","90","","2082.56","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Pb3 (((P O4)2 B) (P O4))","","- B O12 P3 Pb3 -","- B O12 P3 Pb3 -","- B8 O96 P24 Pb24 -","8","1","","Bluhm, K.; Park, C.-H.","Synthese und Kristallstruktur von Triblei-DiphosphatoBorat-Phosphat, eine Verbindung mit einem ((P O4)2 B P O4)6- - Anion","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1617","1622","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209476","5.624","","11.228","","4.185","","90","","90","","90","","264.267","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Th2 Co B10","","- B10 Co Th2 -","- B10 Co Th2 -","- B20 Co2 Th4 -","2","0.25","","Konrad, T.; Jeitschko, W.","The thorium transition metal borides Th2 T B10 (T = Fe, Co, Ni) with a structure very silmilar to that of Ca B6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1195","1199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209477","5.627","","11.261","","4.183","","90","","90","","90","","265.059","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Th2 Fe B10","","- B10 Fe Th2 -","- B10 Fe Th2 -","- B20 Fe2 Th4 -","2","0.25","","Konrad, T.; Jeitschko, W.","The thorium transition metal borides Th2 T B10 (T= Fe, Co, Ni) with a structure very silmilar to that of Ca B6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1195","1199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209478","5.646","","11.204","","4.173","","90","","90","","90","","263.975","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Th2 Ni B10","","- B10 Ni Th2 -","- B10 Ni Th2 -","- B20 Ni2 Th4 -","2","0.25","","Jeitschko, W.; Konrad, T.","The thorium transition metal borides Th2 T B10 (T = Fe, Co, Ni) with a structure very silmilar to that of Ca B6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1195","1199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209480","7.0656","","14.268","","22.159","","90","","90","","90","","2233.89","","","","","","","","","","","","","4","I b c a","-I 2b 2c","73","","Ba3 (((P O4)2 B) (P O4))","","- B Ba3 O12 P3 -","- B Ba3 O12 P3 -","- B8 Ba24 O96 P24 -","8","0.5","","Bluhm, K.; Park, C.-H.","Synthese und Kristallstruktur von Triblei-DiphosphatoBorat-Phosphat, eine Verbindung mit einem ((P O4)2 B P O4)6- - Anion","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1617","1622","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209483","6.184","","8.458","","12.609","","90","","90","","90","","659.505","","","","","","","","","","","","","4","I b a 2","I 2 -2c","45","","Cu Lu (B5 O10)","","- B5 Cu Lu O10 -","- B5 Cu Lu O10 -","- B20 Cu4 Lu4 O40 -","4","0.5","","Schaefer, J.; Bluhm, K.","Synthese und Kristallstruktur von Verbindungen des Typs Cu M (B5 O10) (M= Tm3+, Lu3+)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","762","766","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209484","6.22","","8.447","","12.66","","90","","90","","90","","665.161","","","","","","","","","","","","","4","I b a 2","I 2 -2c","45","","Cu Tm (B5 O10)","","- B5 Cu O10 Tm -","- B5 Cu O10 Tm -","- B20 Cu4 O40 Tm4 -","4","0.5","","Schaefer, J.; Bluhm, K.","Synthese und Kristallstruktur von Verbindungen des Typs Cu M (B5 O10) (M= Tm3+, Lu3+)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","762","766","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209497","10.246","","8.3493","","6.2287","","90","","90.45","","90","","532.83","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cu Tb2 (B8 O16)","","- B8 Cu O16 Tb2 -","- B8 Cu O16 Tb2 -","- B16 Cu2 O32 Tb4 -","2","0.5","","Bluhm, K.; Schaefer, J.","Cu Tb2 (B8 O16): Das erste ""Metaborat"" mit einem 1/infinite(B8 O16)8- -Anion","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","757","761","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209499","4.5314","","7.2194","","9.295","","90","","90.01","","90","","304.077","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cu Er2 (B2 O5)2","","- B4 Cu Er2 O10 -","- B4 Cu Er2 O10 -","- B8 Cu2 Er4 O20 -","2","0.5","","Schaefer, J.; Bluhm, K.","Synthese und Kristallstruktur von CuLn2(B2O5)2 (Ln = Er3+, Lu3+): zwei Kupferlanthanoidborate mit B2O5^4- - Anionen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1141","1145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209501","4.514","","7.183","","9.281","","90","","90","","90","","300.928","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cu Lu2 (B2 O5)2","","- B4 Cu Lu2 O10 -","- B4 Cu Lu2 O10 -","- B8 Cu2 Lu4 O20 -","2","0.5","","Bluhm, K.; Schaefer, J.","Synthese und Kristallstruktur von CuLn2(B2O5)2 (Ln = Er3+, Lu3+): zwei Kupferlanthanoidborate mit B2O5^4- - Anionen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1141","1145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209502","4.5218","","7.2","","9.292","","90","","90.16","","90","","302.518","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cu Tm2 (B2 O5)2","","- B4 Cu O10 Tm2 -","- B4 Cu O10 Tm2 -","- B8 Cu2 O20 Tm4 -","2","0.5","","Schaefer, J.; Bluhm, K.","CuTm2(B2O5)2: Das erste ""Metaborat"" mit einem 2/infinite(B2 O5)4- - Anion","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","630","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214210","4.578","0.0002","5.7488","0.0003","2.8054","0.0001","90","","90","","90","","73.833","0.006","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214211","4.5809","0.0002","5.7487","0.0004","2.8047","0.0002","90","","90","","90","","73.86","0.008","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214212","4.5825","0.0002","5.7526","0.0003","2.8067","0.0001","90","","90","","90","","73.988","0.006","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214213","4.5758","0.0001","5.7517","0.0001","2.8062","0.0001","90","","90","","90","","73.855","0.003","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214214","4.5752","0.0001","5.7506","0.0001","2.8061","0.0001","90","","90","","90","","73.829","0.003","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7214215","4.5771","0.0001","5.7561","0.0002","2.8076","0.0001","90","","90","","90","","73.97","0.004","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Croguennec, L.; Deniard, P.; Brec, R.; Lecerf, A.","Preparation, physical and structural characterization of Li Mn O2 samples with variable cationic disorder","Journal of Materials Chemistry","1995","5","","1919","1925","10.1039/jm9950501919","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","201202","2020-10-21","18:00:00",""
"7222535","9.663","","10.27","","16.62999","","101.374","","92.853","","112.83","","1476.55","","","","","","","","","","","","","4","P -1","-P 1","2","","(Er7 C2 N) I12","","- C2 Er7 I12 N -","- C2 Er7 I12 N -","- C4 Er14 I24 N2 -","2","1","","Steffen, F.; Meyer, G.","(Er14 (C2)2 (N)2)I24 - Iodid mit einem oligomeren, heterointerstitiellen Cluster","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1570","1573","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222536","9.7124","","10.303","","16.735","","101.366","","92.758","","112.799","","1499.08","","","","","","","","","","","","","4","P -1","-P 1","2","","Y7 (C2) I12 N","","- C2 I12 N Y7 -","- C2 I12 N Y7 -","- C4 I24 N2 Y14 -","2","1","","Mattausch, H.J.; Borrmann, H.; Eger, R.; Kremer, R.K.; Simon, A.","Y7 I12 C2 N: Eine Verbindung aus Einheiten zweier Y6 (C2)Oktaeder und eines Y6 N2-Tetraederdoppels","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","931","936","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222546","10.177","","9.344","","11.318","","90","","90","","90","","1076.27","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ca2 Sr (W N4)","","- Ca2 N4 Sr W -","- Ca2 N4 Sr W -","- Ca16 N32 Sr8 W8 -","8","1","","Berger, U.; Schultz-Coulon, V.; Schnick, W.","Ca2 Sr (W N4), das erste gemischte Erdalkalimetall-nitridowolframat","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","213","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222649","3.256","","9.551","","9.292","","90","","90.7","","90","","288.942","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Mn (Al.5 Y.5) (B O3) O","","- Al0.5 B Mn O4 Y0.5 -","- Al0.5 B Mn O4 Y0.5 -","- Al2 B4 Mn4 O16 Y2 -","4","1","","Utzolino, A.; Bluhm, K.","Zur Synthese und Kristallstruktur von manganhaltigen Boratoxiden: Mn Fe (B O3) O und Mn Al0.5 Y0.5 (B O3) O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1146","1150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222686","13.382","","6.226","","11.615","","90","","96.77","","90","","960.972","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(C O)5 Cr P H2 C O O H","","- C6 H3 Cr O7 P -","- C6 H3 Cr O7 P -","- C24 H12 Cr4 O28 P4 -","4","1","","Diemert, K.; Hahn, T.; Kuchen, W.; Mootz, D.; Poll, W.; Tommes, P.","Kristallstruktur von (C O)5 Cr P H2 C O O H und ab initio Berechnung des hypothetischen freien Liganden (H2 P C O O H)2 - ein Vergleich","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","209","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222707","6.181","","6.136","","7.439","","90","","109.4","","90","","266.117","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Eu Pd Ge","","- Eu Ge Pd -","- Eu Ge Pd -","- Eu4 Ge4 Pd4 -","4","1","","Poettgen, R.","Eu Pd Ge - a new germanide with Eu Ni Ge type structure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1181","1184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222709","10.0035","","10.0035","","2.9977","","90","","90","","90","","299.98","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","Ti2 In5","","- In5 Ti2 -","- In5 Ti2 -","- In10 Ti4 -","2","0.125","","Poettgen, R.","Crystal structure and properties of Ti2 In5","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1505","1509","","","","","","","","","","","","","","","","","","","","","","has coordinates","164464","2020-10-21","18:00:00",""
"7222757","9.443","","4.452","","16.32","","90","","90","","90","","686.097","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs3 Cl O","","- Cl Cs3 O -","- Cl Cs3 O -","- Cl4 Cs12 O4 -","4","0.5","","Feldmann, C.; Jansen, M.","Darstellung und Kristallstruktur von Cs3 Cl O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1415","1416","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222764","9.209","","9.479","","10.918","","96.89","","103.35","","101.6","","894.412","","","","","","","","","","","","","6","P -1","-P 1","2","","Cs4 ((Nb (N3))6 Cl12) (H2 O)2","","- Cl12 Cs4 H4 N18 Nb6 O2 -","- Cl12 Cs4 N18 Nb6 O2 -","- Cl12 Cs4 N18 Nb6 O2 -","1","0.5","","Reckeweg, O.; Meyer, H.J.","Die Synthese und Struktur von Clusteraziden: A4 (Nb6 Cl2 (N3)6) (H2 O)2 mit A= Rb, Cs","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1377","1381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222814","16.227","","16.227","","16.227","","90","","90","","90","","4272.82","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","K19 (Pb4)2 O4 (O H)3","","- H3 K19 O7 Pb8 -","- H3 K19 O7 Pb8 -","- H12 K76 O28 Pb32 -","4","0.0208333","","Roehr, C.","K19 Pb8 O4 (O H)3 und K Pb: Ein Oxid-hydroxide und eine Zintl-Phase mit (P B4)4- -Anionen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","802","808","","","","","","","","","","","","","","","","","","","","","","has coordinates","165083","2020-10-21","18:00:00",""
"7222815","10.579","","11.022","","5.149","","90","","92.94","","90","","599.592","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Na K2 ((Zn (H2 O) (C O3))2 (H (C O3)2))","","- C4 H5 K2 Na O14 Zn2 -","- C4 H5 K2 Na O14 Zn2 -","- C8 H10 K4 Na2 O28 Zn4 -","2","0.5","","Zheng, Y.-Q.; Adam, A.","Komplexe Alkalimetall-carbonat-hydrogencarbonate mit fuenffach koordiniertem Zink: Na A2 (Zn2 (H (C O3)2) (C O3)2 (H2 O)2) mit A= K, Rb","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1185","1194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222816","11.532","","11.532","","18.868","","90","","90","","90","","2509.2","","","","","","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","","","- K8 Pb8 -","- K8 Pb8 -","- K32 Pb32 -","4","0.125","","Roehr, C.","K19 Pb8 O4 (O H)3 und K Pb: Ein Oxid-hydroxid und eine Zintl-Phase mit (P B4)4- -Anionen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","802","808","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222817","10.682","","11.316","","5.186","","90","","92.07","","90","","626.462","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Na Rb2 ((Zn (H2 O) (C O3))2 (H (C O3)2))","","- C4 H5 Na O14 Rb2 Zn2 -","- C4 H5 Na O14 Rb2 Zn2 -","- C8 H10 Na2 O28 Rb4 Zn4 -","2","0.5","","Zheng, Y.-Q.; Adam, A.","Komplexe Alkalimetall-carbonat-hydrogencarbonate mit fuenffach koordiniertem Zink: Na A2 (Zn2 (H (C O3)2) (C O3)2 (H2 O)2) mit A= K, Rb","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1185","1194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222818","22.1075","","6.491","","5.957","","90","","100.168","","90","","841.403","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Cs (B6 H6 (N H2)) (H2 O)","","- B6 Cs H10 N O -","- B6 Cs N O -","- B24 Cs4 N4 O4 -","4","1","","Franken, A.; Preetz, W.","Darstellung, 11B-NMR-, und Schwingungsspektren von Aminohexahydro-closo-hexaborat(1-), (B6 H6 (N H2))- sowie Kristallstruktur von Cs (B6 H6 (N H2)) * (H2 O)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","11","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222819","10.0656","","10.0656","","11.0127","","90","","90","","90","","1115.77","","","","","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","Cs2 (B6 H4 (N O2)2)","","- B6 Cs2 H4 N2 O4 -","- B6 Cs2 H4 N2 O4 -","- B24 Cs8 H16 N8 O16 -","4","0.5","","Franken, A.; Preetz, W.","Darstellung, 11B-NMR- und Schwingungsspektren von cis-Dinitrotetrahydro-closo-hexaborate(2-), cis-(B6 H4 (N O2)2)2sowie Kristallstruktur von cis-Cs2 (B6 H4 (N O2)2)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1030","1034","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7228418","5.10555","0.00008","5.85403","0.00007","5.10587","0.00006","90","","110.039","0.001","90","","143.366","0.003","","","293","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","","","- Li3 O4 Ru -","- Li3 O4 Ru -","- Li6 O8 Ru2 -","2","0.5","","Bush, T. S.; Catlow, C. R. A.; Battle, P. D.","Evolutionary programming techniques for predicting inorganic crystal structures","Journal of Materials Chemistry","1995","5","","1269","1272","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.084","","","","","","","","has coordinates","197601","2020-10-21","18:00:00",""
"8103385","9.217","","9.217","","3.304","","90","","90","","120","","243.08","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Silver vanadium sulfide (.26/6/8)","","- Ag0.26 S8 V6 -","- Ag0.26 S8 V6 -","- Ag0.26 S8 V6 -","1","0.0833333","","Koy, J.; Bensch, W.","Crystal structure of silver hexavanadium octasulfide, Ag0.26 V6 S8","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","364","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103395","4.868","","24.999","","25.727","","90","","90","","90","","3130.85","","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","Ag Te I","","- Ag I Te -","- Ag0.992 I Te -","- Ag31.744 I32 Te32 -","32","1","","Boettcher, P.; Schnieders, F.","Darstellung und Kristallstruktur von Ag Te I","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","323","327","10.1524/zkri.1995.210.5.323","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103406","6.4099","","8.5122","","10.0891","","106.91","","92.19","","95.8","","522.664","","","","","","","","","","","","","3","P -1","-P 1","2","","Ag4 (Ge O4)","","- Ag4 Ge O4 -","- Ag4 Ge O4 -","- Ag16 Ge4 O16 -","4","2","","Jansen, M.; Hundt, R.; Linke, C.","Darstellung und Kristallstruktur von Silberorthogermanat, Ag4 Ge O4","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","850","855","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103427","8.903","","8.903","","18.09","","90","","90","","120","","1241.77","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","K3 (Au Se2)","","- Au K3 Se2 -","- Au K3 Se2 -","- Au6 K18 Se12 -","6","0.166667","","Klepp, K.O.; Weithaler, C.","Crystal structure of tripotassium diselenoaurate(I), K3 Au Se2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","221","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103442","6.711","","11.618","","7.686","","90","","115.166","","90","","542.383","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Na5 (B2 P3 O13)","","- B2 Na5 O13 P3 -","- B2 Na5 O13 P3 -","- B4 Na10 O26 P6 -","2","1","","Friedrich, T.; Hauf, C.; Kniep, R.","Crystal structure of pentasodium catena-(diborato-triphosphate), Na5 (B2 P3 O13)","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","446","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103444","7.9168","","7.9168","","7.9168","","90","","90","","90","","496.191","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","Na Ba4 (B N2)3","","- B3 Ba4 N6 Na -","- B3 Ba4 N6 Na -","- B6 Ba8 N12 Na2 -","2","0.0208333","","Curda, J.; Peters, K.; Somer, M.; Herterich, U.; von Schnering, H.G.","Crystal structure of sodium tetrabarium dinitridoborate, Na Ba4 (B N2)3","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","529","529","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103468","5.259","","5.259","","12.706","","90","","90","","120","","304.331","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Sr3 P (B O3)","","- B O3 P Sr3 -","- B O3 P Sr3 -","- B2 O6 P2 Sr6 -","2","0.0833333","","Somer, M.; Carrillo-Cabrera, W.; Peters, K.; von Schnering, H.G.","Crystal structure of tristrontium phosphide borate, Sr3 P (B O3)","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","526","526","10.1524/zkri.1995.210.7.526","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103469","4.6723","","4.6723","","14.9494","","90","","90","","120","","282.628","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Ti (B O3)","","- B O3 Ti -","- B O3 Ti -","- B6 O18 Ti6 -","6","0.166667","","Deiseroth, H.J.; Huber, M.","Crystal structure of titanium(III) borate, Ti B O3","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","685","685","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103471","9.533","","9.229","","9.418","","90","","110.53","","90","","775.971","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Rb3 (B P2)","","- B P2 Rb3 -","- B P2 Rb3 -","- B4 P8 Rb12 -","4","0.5","","von Schnering, H.G.; Carrillo-Cabrera, W.; Peters, K.; Somer, M.; Peters, E.M.","Crystal structures of trirubidium diarsenidoborate, Rb3 B As2 and trirubidium diphosphidoborate, Rb3 B P2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","779","780","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103476","5.502","","5.502","","13.506","","90","","90","","120","","354.078","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 P (B O3)","","- B Ba3 O3 P -","- B Ba3 O3 P -","- B2 Ba6 O6 P2 -","2","0.0833333","","Somer, M.; Peters, K.; Carrillo-Cabrera, W.; von Schnering, H.G.","Crystal structure of tribarium phosphide borate, Ba3 P (B O3)","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","449","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103477","4.427","","4.427","","18.744","","90","","90","","120","","318.135","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","K Be2 (B O3) F2","","- B Be2 F2 K O3 -","- B Be2 F2 K O3 -","- B3 Be6 F6 K3 O9 -","3","0.166667","","Chen, C.; Wu, B.; Mei, L.; Huang, X.; Wu, Q.; Wang, Y.","Crystal structure of K Be2 B O3 F2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","93","95","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103480","13.112","","12.903","","12.407","","90","","113.5","","90","","1924.97","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(N (C H3)4)4 (Si32 B4 O72)","","- B4 N4 O72 Si32 -","- B4 N4 O72 Si32 -","- B4 N4 O72 Si32 -","1","0.25","","Rius, J.; Gies, H.","Ab-initio structure determination of zeolite RUB-10 from low resolution X-ray powder diffraction data","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","475","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103836","7.294","","15.5","","4.124","","90","","90","","90","","466.247","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Th Re4 Si2","","- Re4 Si2 Th -","- Re4 Si2 Th -","- Re16 Si8 Th4 -","4","0.5","","Albering, J.H.; Jeitschko, W.","Crystal structure of thorium tetrarhenium disilicide, Th Re4 Si2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","686","686","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103839","25.438","","25.438","","9.271","","90","","90","","120","","5195.45","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Na27 Ca3 Al5 (P2 O7)12","","- Al5 Ca3 Na27 O84 P24 -","- Al5 Ca3 Na27 O84 P24 -","- Al15 Ca9 Na81 O252 P72 -","3","0.166667","","Alkemper, J.; Fuess, H.; Paulus, H.","Crystal structure of aluminium calcium sodium diphosphate, Na27 Ca3 Al5 (P2 O7)12","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","298","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","161321","2020-10-21","18:00:00",""
"8103873","14.063","","13.177","","11.57","","90","","90","","90","","2144.01","","","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","Ta6 Br14","","- Br14 Ta6 -","- Br14 Ta6 -","- Br56 Ta24 -","4","","","Bajan, B.; Meyer, H.J.","Crystal structure of tantalum bromide,Ta6 Br14","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","607","607","","","","","","","","","","","","","","","","","","","","","","has coordinates","161770","2020-10-21","18:00:00",""
"8103878","10.233","","10.233","","10.233","","90","","90","","90","","1071.54","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Cr1.6 In1.07 S4 -","- Cr1.6 In1.06665 S4 -","- Cr12.8 In8.5332 S32 -","8","0.0833333","","Lutz, H.D.; Schmidt, T.; Stingl, T.","Crystal structure of chromium indium sulfide, Cr1.6 In1.07 S4","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","294","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103893","12.891","","6.427","","10.488","","90","","90","","90","","868.936","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","K1.14 Rb.86 (Ti O)2 (P O4)2","","- K1.14 O10 P2 Rb0.86 Ti2 -","- K1.15 O10 P2 Rb0.85 Ti2 -","- K4.6 O40 P8 Rb3.4 Ti8 -","4","1","","Harrison, W.T.A.; Stucky, G.D.; Phillips, M.L.F.","Crystal structures of potassium rubidium titanyl phosphate, K1.14 Rb0.86 (Ti O)2 (P O4)2 and potassium titanyl phosphate arsenate, K2 (Ti O)2 (P0.57 As0.43 O4)2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","295","297","","","","","","","","","","","","","","","","","","","","","","has coordinates","162161","2020-10-21","18:00:00",""
"8103894","12.4451","","15.2431","","6.2317","","90","","90","","90","","1182.17","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","K2 Li (Ga As2)","","- As2 Ga K2 Li -","- As2 Ga K2 Li -","- As16 Ga8 K16 Li8 -","8","","","Somer, M.; Carrillo-Cabrera, W.; Peters, E.M.; Peters, K.; von Schnering, H.G.","Crystal structure of dipotassium lithium diarsenidogallate, K2 Li Ga As2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","528","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103896","10.168","","10.168","","10.527","","90","","90","","120","","942.554","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Na3 K6 Sb (Al Sb3)","","- Al K6 Na3 Sb4 -","- Al K6 Na3 Sb4 -","- Al2 K12 Na6 Sb8 -","2","0.0833333","","Somer, M.; Carrillo-Cabrera, W.; von Schnering, H.G.; Peters, K.; Peters, E.M.","Crystal structure of sodium potassium antimonide triantimonidoaluminate, Na3 K6 Sb (Al Sb3)","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","527","527","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103898","6.773","","13.194","","6.077","","90","","90","","90","","543.059","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Na3 (Al P2)","","- Al Na3 P2 -","- Al Na3 P2 -","- Al4 Na12 P8 -","4","0.25","","Somer, M.; von Schnering, H.G.; Carrillo-Cabrera, W.; Peters, E.M.; Peters, K.","Crystal structure of trisodium catena-di-mue-phosphidoaluminate, Na3 Al P2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","777","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103899","9.772","","9.4429","","9.6494","","90","","111.077","","90","","830.838","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Rb3 (B As2)","","- As2 B Rb3 -","- As2 B Rb3 -","- As8 B4 Rb12 -","4","0.5","","Somer, M.; Carrillo-Cabrera, W.; Peters, E.M.; von Schnering, H.G.; Peters, K.","Crystal structures of trirubidium diarsenidoborate, Rb3 B As2 and trirubidium diphosphidoborate, Rb3 B P2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","779","780","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103900","11.566","","13.592","","5.801","","90","","90","","90","","911.947","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Na2 Li (Al P2)","","- Al Li Na2 P2 -","- Al Li Na2 P2 -","- Al8 Li8 Na16 P16 -","8","","","Somer, M.; Carrillo-Cabrera, W.; Peters, E.M.; Peters, K.; von Schnering, H.G.","Crystal structure of disodium lithium diphosphidoaluminate Na2 Li (Al P2)","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","778","778","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103901","12.92","","9.802","","8.563","","90","","90","","90","","1084.43","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr5 As1.6 Sb1.4","","- As1.6 Sb1.4 Sr5 -","- As1.6 Sb1.4 Sr5 -","- As6.4 Sb5.6 Sr20 -","4","0.5","","Somer, M.; Carrillo-Cabrera, W.; von Schnering, H.G.; Peters, E.M.; Peters, K.","Crystal structure of strontium arsenide antimonide (5/1.6/1.4), Sr5 As1.6 Sb1.4","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","875","875","","","","","","","","","","","","","","","","","","","","","","has coordinates","162193","2020-10-21","18:00:00",""
"8103902","12.775","","12.185","","10.958","","90","","90","","90","","1705.76","","","","","","","","","","","","","2","P b a m","-P 2 2ab","55","","Sr4 As3","","- As3 Sr4 -","- As3 Sr4 -","- As24 Sr32 -","8","1","","Somer, M.; Carrillo-Cabrera, W.; Peters, K.; von Schnering, H.G.","Crystal structure of tetrastrontium triarsenide, Sr4 As3","Zeitschrift für Kristallographie - Crystalline Materials","1995","210","11","876","876","10.1524/zkri.1995.210.11.876","","","","","","","","","","","","","","","","","","","","","has coordinates","218017","2020-10-21","18:00:00",""
"8103903","12.051","","14.034","","5.908","","90","","90","","90","","999.183","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Na2 Li (Ga As2)","","- As2 Ga Li Na2 -","- As2 Ga Li Na2 -","- As16 Ga8 Li8 Na16 -","8","","","Somer, M.; Carrillo-Cabrera, W.; Peters, E.M.; Peters, K.; von Schnering, H.G.","Crystal structure of disodium lithium diarsenidogallate, Na2 Li Ga As2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","877","877","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103904","12.853","","15.514","","6.392","","90","","90","","90","","1274.57","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","K2 Li (In As2)","","- As2 In K2 Li -","- As2 In K2 Li -","- As16 In8 K16 Li8 -","8","","","Somer, M.; Carrillo-Cabrera, W.; von Schnering, H.G.; Peters, K.; Peters, E.M.","Crystal structure of dipotassium lithium diarsenidoindate, K2 Li In As2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","959","959","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103928","3.878","","3.878","","21.691","","90","","90","","120","","282.505","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","La2 Cl C","","- C Cl La2 -","- C Cl La2 -","- C3 Cl3 La6 -","3","0.0833333","","Mattausch, H.J.; Simon, A.","Crystal structure of dilanthanum monochloride monocarbide, La2 Cl C","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","63","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103940","7.469","","9.895","","8.208","","90","","106.02","","90","","583.061","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tl Cr (P2 O7)","","- Cr O7 P2 Tl -","- Cr O7 P2 Tl -","- Cr4 O28 P8 Tl4 -","4","1","","Bensch, W.; Koy, J.","Crystal structure of thallium chromium diphosphate, Tl Cr P2 O7","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","445","445","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103941","7.314","","7.314","","15.168","","90","","90","","90","","811.406","","","","","","","","","","","","","4","P 4/n c c :1","P 4ab 2n -1ab","130","","Ca Cu Si4 O10","","- Ca Cu O10 Si4 -","- Ca Cu O10 Si4 -","- Ca4 Cu4 O40 Si16 -","4","0.25","","Bensch, W.; Schur, M.","Crystal structure of calcium copper phyllo-decaoxotetrasilicate, Ca Cu Si4 O10","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","530","530","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103966","10.475","","17.167","","12.409","","90","","105.08","","90","","2154.6","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(Y10 (C2)2) I18","","- C4 I18 Y10 -","- C4 I18 Y10 -","- C8 I36 Y20 -","2","0.5","","Hinz, D.J.; Meyer, G.","Crystal structure of yttrium carbide iodide (10-4-18), (Y10 (C2)2) I18","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","957","957","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8103967","11.138","","11.201","","11.325","","66.92","","87.26","","60.87","","1117.25","","","","","","","","","","","","","4","P -1","-P 1","2","","Cs (Y10 (C2)2) I18","","- C4 Cs I18 Y10 -","- C4 Cs I18 Y10 -","- C4 Cs I18 Y10 -","1","0.5","","Hinz, D.J.; Meyer, G.","Crystal structure of yttrium cesium carbide iodide, Cs (Y10 (C2)2) I18","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","958","958","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103980","10.184","","4.747","","17.309","","90","","90","","90","","836.777","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb (Sn I3)","","- I3 Rb Sn -","- I3 Rb Sn -","- I12 Rb4 Sn4 -","4","0.5","","Thiele, G.; Serr, B.R.","Crystal structure of rubidium triiodostannate(II), Rb Sn I3","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","64","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103981","7.773","","10.275","","10.191","","90","","90","","90","","813.93","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","Tl (Fe Br4)","","- Br4 Fe Tl -","- Br4 Fe Tl -","- Br16 Fe4 Tl4 -","4","0.5","","Thiele, G.; Armbruster, M.","Crystal structure of thallium tetrabromoferrate(III), TlFeBr4","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","689","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103982","7.237","","18.269","","8.266","","90","","106.96","","90","","1045.34","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cs (Fe I4)","","- Cs Fe I4 -","- Cs Fe I4 -","- Cs4 Fe4 I16 -","4","1","","Thiele, G.; Armbruster, M.","Crystal structure of cesium tetraiodoferrate(III), CsFeI4","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","690","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104008","8.3474","","7.8142","","16.078","","90","","95.896","","90","","1043.19","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K (Ga I4)","","- Ga I4 K -","- Ga I4 K -","- Ga4 I16 K4 -","4","1","","Burnus, R.; Zajonc, A.; Meyer, G.","Crystal structure of potassium tetraiodogallate(III), K Ga I4","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","61","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104009","6.1226","","6.1226","","11.497","","90","","90","","90","","430.979","","","","","","","","","","","","","3","I -4","I -4","82","","Cu (Ga I4)","","- Cu Ga I4 -","- Cu Ga I4 -","- Cu2 Ga2 I8 -","2","0.25","","Burnus, R.; Zajonc, A.; Meyer, G.","Crystal structure of copper(I) tetraiodogallate(III), Cu Ga I4","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","62","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104014","19.6848","","12.4685","","19.1418","","90","","90.48","","90","","4698","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","((C2)3 Pr12) I17","","- C6 I17 Pr12 -","- C6 I17 Pr12 -","- C24 I68 Pr48 -","4","0.5","","Uhrlandt, S.; Meyer, G.","Crystal structure of praseodymium carbide iodide, (Pr17 (C2)3) I17","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","361","361","","","","","","","","","","","","","","","","","","","","","","has coordinates","163387","2020-10-21","18:00:00",""
"8104031","10.6816","","10.6816","","13.487","","90","","90","","120","","1332.66","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Na6 Eu3 (Si6 O18)","","- Eu3 Na6 O18 Si6 -","- Eu2.997 Na5.998 O18 Si6 -","- Eu8.991 Na17.994 O54 Si18 -","3","0.0833333","","Jacobsen, H.; Meyer, G.","Crystal structure of disodium europium(II) cyclohexasilicate, Na6 Eu2 (Si6 O18)","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","363","363","","","","","","","","","","","","","","","","","","","","","","has coordinates","163505","2020-10-21","18:00:00",""
"8104039","6.327","","7.377","","6.2","","90","","109.05","","90","","273.532","","","","","","","","","","","","","2","P 1 2/c 1","-P 2yc","13","","Hf Cl4","","- Cl4 Hf -","- Cl4 Hf -","- Cl8 Hf2 -","2","0.5","","Niewa, R.; Jacobs, H.","Crysta structure of hafnium(IV) chloride, Hf Cl4","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","687","687","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104056","7.748","","7.786","","10.199","","69.37","","83.61","","83.1","","570.063","","","","","","","","","","","","","4","P -1","-P 1","2","","Rb3 (P3 O9) (H2 O)","","- H2 O10 P3 Rb3 -","- O10 P3 Rb3 -","- O20 P6 Rb6 -","2","1","","Jansen, M.; Hanke, D.","Crystal structure of rubidium cyclotriphosphate monohydrate, Rb3 (P3 O9) (H2 O)","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","610","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","163670","2020-10-21","18:00:00",""
"8104059","9.433","","4.064","","17.663","","90","","100.92","","90","","664.863","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- In6 Se7 -","- In5.97 Se7 -","- In11.94 Se14 -","2","0.5","","Walther, R.; Deiseroth, H.J.","Redetermination of the crystal structure of hexaindium heptaselenide, In6 Se7","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","359","359","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104070","14.423","","14.423","","5.565","","90","","90","","120","","1002.55","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Na6 (Sb12 O18) (Sb Se3)2 (Na1.86 Sb0.14) ((O H)2.28 (H2 O)4.02)","","- H10.32 Na7.86 O24.3 Sb14.14 Se6 -","- Na7.86 O24.3 Sb14.14 Se6 -","- Na7.86 O24.3 Sb14.14 Se6 -","1","0.0833333","","Wang, X.","Crystal structures of oxoselenoantimonates(III) of sodium and rubidium Na6 (Sb12 O18) (Sb Se3)2 (Na1.86 Sb0.14) ((O H)2.28 (H2 O)4.02) and Rb6 (Sb12 O18) (Sb Se3)2 ((O H)0.66 (H2 O)3.48)","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","693","694","","","","","","","","","","","","","","","","","","","","","","has coordinates","163882","2020-10-21","18:00:00",""
"8104071","14.715","","14.715","","5.653","","90","","90","","120","","1060.06","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Rb6 (Sb12 O18) (Sb Se3)2 Sb0.22 ((O H)0.66 (H2 O)3.48)","","- H7.62 O22.14 Rb6 Sb14.22 Se6 -","- O22.14 Rb6 Sb14.22 Se6 -","- O22.14 Rb6 Sb14.22 Se6 -","1","0.0833333","","Wang, X.","Crystal structures of oxoselenoantimonates(III) of sodium and rubidium Na6 (Sb12 O18) (Sb Se3)2 (Na1.86 Sb0.14) ((O H)2.28 (H2 O)4.02) and Rb6 (Sb12 O18) (Sb Se3)2 ((O H)0.66 (H2 O)3.48)","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","693","694","","","","","","","","","","","","","","","","","","","","","","has coordinates","163886","2020-10-21","18:00:00",""
"8104072","8.122","","7.829","","13.56","","90","","90","","90","","862.242","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ag (Cl O4) (H2 O)","","- Ag Cl H2 O5 -","- Ag Cl H2 O5 -","- Ag8 Cl8 H16 O40 -","8","1","","Wartchow, R.; Ludwig, W.","Crystal structure of silver perchlorate monohydrate, Ag (Cl O4) (H2 O)","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","879","879","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104075","8.274","","12.456","","8.562","","90","","95.17","","90","","878.818","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Mn (P4 O11)","","- Mn O11 P4 -","- Mn O11 P4 -","- Mn4 O44 P16 -","4","1","","Olbertz, A.; Fuess, H.; Svoboda, I.; Stachel, D.","Redetermination of the crystal structure of manganese ultraphosphate, Mn P4 O11","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","220","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104084","14.323","","14.323","","17.855","","90","","90","","120","","3172.19","","","","","","","","","","","","","2","R 3 2 :H","R 3 2""","155","","","","- Ga7 Te10 -","- Ga7 Te10 -","- Ga42 Te60 -","6","0.333333","","Deiseroth, H.J.; Mueller, H.D.","Crystal structures of heptagallium decatelluride, Ga7 Te10 and heptaindium decatelluride, In7 Te10","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","57","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104085","14.873","","14.873","","18.91","","90","","90","","120","","3622.59","","","","","","","","","","","","","2","R 3 2 :H","R 3 2""","155","","","","- In7 Te10 -","- In7 Te10 -","- In42 Te60 -","6","0.333333","","Deiseroth, H.J.; Mueller, H.D.","Crystal structures of heptagallium decatelluride, Ga7 Te10 and heptaindium decatelluride, In7 Te10","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","57","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104112","5.25","","8.709","","13.45","","90","","90","","90","","614.964","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Cs Cu S4 -","- Cs Cu S4 -","- Cs4 Cu4 S16 -","4","1","","Dorhout, P.K.; Raymond, C.C.; Miller, S.M.","Crystal structure of cesium copper(I) tetrasulfide, Cs Cu S4","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","776","776","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104121","9.667","","19.475","","9.886","","90","","108.75","","90","","1762.41","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cu3 P15 I2","","- Cu3 I2 P15 -","- Cu3 I2 P15 -","- Cu12 I8 P60 -","4","1","","Pfitzner, A.; Freudenthaler, E.","Crystal structure of tricopper(I) pentadecaphosphide diiodide, Cu3 P15 I2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","59","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8104124","8.8285","","12.6857","","5.1481","","96.654","","94.027","","86.387","","570.39","","","","","","","","","","","","","5","P -1","-P 1","2","","Zn (C (N H2)2 (N C N))2 Cl2","","- C4 H8 Cl2 N8 Zn -","- C4 H8 Cl2 N8 Zn -","- C8 H16 Cl4 N16 Zn2 -","2","1","","Pickardt, J.; Kuehn, B.","Crystal structure of dichlorobis(cyanoguanine)zinc(II), Zn (C2 N4 H4)2 Cl2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","901","901","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104126","5.086","","10.484","","17.606","","90","","90","","90","","938.781","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li2 Co2 (Mo O4)3","","- Co2 Li2 Mo3 O12 -","- Co2.04 Li1.96 Mo3 O12 -","- Co8.16 Li7.84 Mo12 O48 -","4","0.5","","Wiesmann, M.; Svoboda, H.; Weitzel, H.; Fuess, H.","The Structure of Lithiumcobaltmolybdate Li2 Co2 (Mo O4)3","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","525","525","","","","","","","","","","","","","","","","","","","","","","has coordinates","164366","2020-10-21","18:00:00",""
"8104127","8.439","","8.439","","6.799","","90","","90","","90","","484.202","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","In.91 (Al0.83 In0.17) Te2","","- Al0.83 In1.08 Te2 -","- Al0.83 In1.08 Te2 -","- Al3.32 In4.32 Te8 -","4","0.125","","Kienle, L.; Deiseroth, H.J.","Crystal structure of indium aluminium ditelluride, In Al Te2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","688","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","164369","2020-10-21","18:00:00",""
"8104134","10.2415","","10.2415","","10.2415","","90","","90","","90","","1074.21","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(N2 H5)2 (Ir Cl6)","","- Cl6 H10 Ir N4 -","- Cl6 Ir N4.0008 -","- Cl24 Ir4 N16.0032 -","4","0.0208333","","Wittram, L.; Meyer, G.","Crystal structure of hydrazinium hexachloro-iridate(IV), (N2 H5)2 Ir Cl6","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","362","362","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104137","7.587","","7.587","","17.97","","90","","90","","120","","895.816","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Rb3 (Br3 (Nb Br3)2)","","- Br9 Nb2 Rb3 -","- Br9 Nb2 Rb3 -","- Br18 Nb4 Rb6 -","2","0.0833333","","Womelsdorf, H.; Meyer, H.J.","Crystal structure of rubidium-tri-mue-bromo-bis(tribromoniobate(III)), Rb3 (Nb2 Br9)","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","609","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","164442","2020-10-21","18:00:00",""
"8104138","11.14","","16.25","","10.067","","90","","117.68","","90","","1613.82","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Tl4 (Br12 (Nb Br)6)","","- Br18 Nb6 Tl4 -","- Br18 Nb6 Tl4 -","- Br36 Nb12 Tl8 -","2","0.25","","Womelsdorf, H.; Meyer, H.J.","Crystal structure of tetrathallium hexabromo-dodeca-mue-bromohexaniobate, Tl4 (Nb6 Br18)","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","608","608","","","","","","","","","","","","","","","","","","","","","","has coordinates","164446","2020-10-21","18:00:00",""
"8104139","12.612","","10.172","","6.205","","90","","90","","90","","796.035","","","","","","","","","","","","","5","P n n a","-P 2a 2bc","52","","K (Al F (P O4))","","- Al F K O4 P -","- Al F K O4 P -","- Al8 F8 K8 O32 P8 -","8","1","","Kirkby, S.J.; Lough, A.J.; Ozin, G.A.","Crystal structure of potassium aluminium fluoride phosphate, K Al F P O4","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","956","956","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104151","4.397","","7.143","","7.578","","90","","90","","90","","238.008","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Sm Pt Ge","","- Ge Pt Sm -","- Ge Pt Sm -","- Ge4 Pt4 Sm4 -","4","0.25","","Prots', Yu.M.; Stepen'-Damm, Yu.; Pavlyuk, V.V.; Bodak, O.I.; Barakatova, G.M.","Crystal structure of samarium platinum germanide, Sm Pt Ge","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","902","902","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104163","7","","15.61","","7.1","","90","","106.4","","90","","744.252","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(Cu (O C (N H2)2)4) (N O3)2","","- C4 H16 Cu N10 O10 -","- C4 H16 Cu N10 O10 -","- C8 H32 Cu2 N20 O20 -","2","1","","Koman, M.; Jona, E.; Nagy, D.","Crystal structure of tetrakis(urea)copper(II) nitrate, (CO(NH2)2)4Cu(NO3)2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","873","874","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104166","6.1317","","11.968","","24.231","","90","","90","","90","","1778.17","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","(Pt (H2 O)3 Cl3 ) Cl (H2 O)0.5","","- Cl4 H7 O3.5 Pt -","- Cl4 O3.5 Pt -","- Cl32 O28 Pt8 -","8","1","","Rau, F.; Klement, U.; Range, K.J.","Crystal structure of fac-triaquatrichloroplatinum(IV)chloride hemihydrate, (Pt (H2 O)3 Cl3) Cl (H2 O)0.5","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","605","605","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104167","9.8498","","9.8498","","9.8498","","90","","90","","90","","955.613","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(H3 O)2 (Pt Cl6)","","- Cl6 H6 O2 Pt -","- Cl6 O2 Pt -","- Cl24 O8 Pt4 -","4","0.0208333","","Rau, F.; Range, K.J.; Klement, U.","Crystal structure of oxonium hexachloroplatinate(IV), (H3 O)2 Pt Cl6","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","684","684","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104168","7.86","","11.386","","11.292","","90","","101.96","","90","","988.629","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","(Pt (H2 O)2 Cl4) (H2 O)3","","- Cl4 H10 O5 Pt -","- Cl4 O5 Pt -","- Cl16 O20 Pt4 -","4","1","","Rau, F.; Klement, U.; Range, K.J.","Crystal structure of trans-diaquatetrachloroplatinum(IV) trihydrate, Pt (H2 O)2 Cl4 (H2 O)3","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","606","606","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104169","10.0479","","7.2463","","12.783","","90","","90","","90","","930.731","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 (Mo S4)","","- Cs2 Mo S4 -","- Cs2 Mo S4 -","- Cs8 Mo4 S16 -","4","0.5","","Raymond, C.C.; Miller, S.M.; Dorhout, P.K.","Crystal structure of dicesium tetrathiomolybdate, Cs2 Mo S4","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","775","775","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104185","14.828","","8.56","","7.0123","","90","","90","","90","","890.055","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Li2 (Zn I4)","","- I4 Li2 Zn -","- I4 Li2 Zn -","- I16 Li8 Zn4 -","4","0.5","","Zhang, Z.; Lutz, H.D.","Redetermination of the crystal structures of lithium zinc iodide, Li2 Zn I4, and sodium zinc chloride, Na2 Zn Cl4","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","691","692","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104189","11.357","","6.348","","6.971","","90","","99.73","","90","","495.34","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Rb2 (Ni (C O3)2 (H2 O)4)","","- C2 H8 Ni O10 Rb2 -","- C2 H8 Ni O10 Rb2 -","- C4 H16 Ni2 O20 Rb4 -","2","0.5","","Zheng, Y.-Q.; Adam, A.","Crystal structure of dirubidium trans-tetraaquabis(carbonato)cobaltate(II), Rb2 (Co (C O3)2 (H2 O)4) and dirubidium trans-tetraaquabis(carbonato)-nickelate(II), Rb2 (Ni (C O3)2 (H2 O)4)","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","447","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104191","11.373","","6.379","","7.033","","90","","99.6","","90","","503.087","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Rb2 (Co (C O3)2 (H2 O)4)","","- C2 H8 Co O10 Rb2 -","- C2 H8 Co O10 Rb2 -","- C4 H16 Co2 O20 Rb4 -","2","0.5","","Zheng, Y.-Q.; Adam, A.","Crystal structure of dirubidium trans-tetraaquabis(carbonato)cobaltate(II), Rb2 (Co (C O3)2 (H2 O)4) and dirubidium trans-tetraaquabis(carbonato)-nickelate(II), Rb2 (Ni (C O3)2 (H2 O)4)","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","447","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104194","4.728","","4.728","","4.728","","90","","90","","90","","105.69","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ca3 Ge O -","- Ca3 Ge O -","- Ca3 Ge O -","1","0.0208333","","Roehr, C.","Crystal structure of calcium germanide oxide, Ca3 Ge O","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","781","781","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104290","8.994","","9.924","","10.495","","64.3","","84.07","","65.87","","767.202","","","","","","","","","","","","","5","P -1","-P 1","2","","Na2 (Mg3.6 Fe2.4) (Ge5.6 Fe0.4 O18) O2","","- Fe2.8 Ge5.6 Mg3.6 Na2 O20 -","- Fe2.8005 Ge5.6 Mg3.5995 Na2 O20 -","- Fe5.601 Ge11.2 Mg7.199 Na4 O40 -","2","1","","Barbier, J.","Structure refinemant of Na2(Mg,Fe)6(Ge,Fe)6O18O2 a new aenigmatite-analog","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","19","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","168599","2020-10-21","18:00:00",""
"8104334","10.284","","7.389","","14.402","","90","","99.72","","90","","1078.68","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Pb (Re O4)2) ((N H2)2 C O) (H2 O)","","- C H6 N2 O10 Pb Re2 -","- C H6 N2 O10 Pb Re2 -","- C4 H24 N8 O40 Pb4 Re8 -","4","1","","Macicek, J.; Angelova, O.; Petrova, R.","Structures of molecular adducts of inorganic salts. I. Pb (Re O4)2 * urea * H2 O and Ba (Re O4)2 * 3 urea","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","24","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104335","13.703","","7.828","","14.865","","90","","94.55","","90","","1589.5","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Ba (Re O4)2) ((N H2)2 C O)3","","- C3 H12 Ba N6 O11 Re2 -","- C3 H12 Ba N6 O11 Re2 -","- C12 H48 Ba4 N24 O44 Re8 -","4","1","","Macicek, J.; Angelova, O.; Petrova, R.","Structures of molecular adducts of inorganic salts. I. Pb(ReO4)2 . urea . H2O and Ba(ReO4)2 . 3 urea","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","24","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9001641","18.2747","","8.8729","","5.1988","","90","","90","","90","","842.983","","","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.249 Mg0.751 O3 Si -","- Fe0.249 Mg0.751 O3 Si -","- Fe3.984 Mg12.016 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich orthopyroxene, (Mg0.75Fe0.25)2Si2O6 T = 296 K","American Mineralogist","1995","80","","9","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001642","18.3878","","8.9577","","5.2441","","90","","90","","90","","863.768","","","","1000","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.249 Mg0.751 O3 Si -","- Fe0.249 Mg0.751 O3 Si -","- Fe3.984 Mg12.016 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich orthopyroxene, (Mg0.75Fe0.25)2Si2O6 T = 1000 K","American Mineralogist","1995","80","","9","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001643","18.4105","","8.9691","","5.254","","90","","90","","90","","867.57","","","","1100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.249 Mg0.751 O3 Si -","- Fe0.249 Mg0.751 O3 Si -","- Fe3.984 Mg12.016 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich orthopyroxene, (Mg0.75Fe0.25)2Si2O6 T = 1100 K","American Mineralogist","1995","80","","9","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001644","18.4317","","8.9822","","5.2647","","90","","90","","90","","871.609","","","","1200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.249 Mg0.751 O3 Si -","- Fe0.249 Mg0.751 O3 Si -","- Fe3.984 Mg12.016 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich orthopyroxene, (Mg0.75Fe0.25)2Si2O6 T = 1200 K","American Mineralogist","1995","80","","9","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001645","18.5132","","8.9809","","5.3243","","90","","90","","90","","885.246","","","","1300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.249 Mg0.751 O3 Si -","- Fe0.249 Mg0.751 O3 Si -","- Fe3.984 Mg12.016 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich orthopyroxene, (Mg0.75Fe0.25)2Si2O6 T = 1300 K","American Mineralogist","1995","80","","9","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001646","6.7902","","7.0203","","6.4674","","90","","103.38","","90","","299.928","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Monazite-(Ce)","- Ce O4 P -","- Ce O4 P -","- Ce4 O16 P4 -","4","1","","Ni, Y.; Hughes, J. M.; Mariano, A. N.","Crystal chemistry of the monazite and xenotime structures","American Mineralogist","1995","80","","21","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001647","6.8313","","7.0705","","6.5034","","90","","103.27","","90","","305.732","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Monazite-(La)","- La O4 P -","- La O4 P -","- La4 O16 P4 -","4","1","","Ni, Y.; Hughes, J. M.; Mariano, A. N.","Crystal chemistry of the monazite and xenotime structures La(PO4)","American Mineralogist","1995","80","","21","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001648","6.788","","7.0163","","6.465","","90","","103.43","","90","","299.486","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Monazite-(Ce)","- Ce O4 P -","- Ce O4 P -","- Ce4 O16 P4 -","4","1","","Ni, Y.; Hughes, J. M.; Mariano, A. N.","Crystal chemistry of the monazite and xenotime structures Ce(PO4)","American Mineralogist","1995","80","","21","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001649","6.7596","","6.9812","","6.4344","","90","","103.53","","90","","295.213","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Monazite","- O4 P Pr -","- O4 P Pr -","- O16 P4 Pr4 -","4","1","","Ni, Y.; Hughes, J. M.; Mariano, A. N.","Crystal chemistry of the monazite and xenotime structures Pr(PO4)","American Mineralogist","1995","80","","21","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001650","6.7352","","6.95","","6.4049","","90","","103.68","","90","","291.306","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Monazite-(Nd)","- Nd O4 P -","- Nd O4 P -","- Nd4 O16 P4 -","4","1","","Ni, Y.; Hughes, J. M.; Mariano, A. N.","Crystal chemistry of the monazite and xenotime structures Nd(PO4)","American Mineralogist","1995","80","","21","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001651","6.6818","","6.8877","","6.3653","","90","","103.86","","90","","284.416","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Monazite-(Sm)","- O4 P Sm -","- O4 P Sm -","- O16 P4 Sm4 -","4","1","","Ni, Y.; Hughes, J. M.; Mariano, A. N.","Crystal chemistry of the monazite and xenotime structures Sm(PO4)","American Mineralogist","1995","80","","21","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001652","6.6613","","6.8618","","6.3491","","90","","103.96","","90","","281.636","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Monazite","- Eu O4 P -","- Eu O4 P -","- Eu4 O16 P4 -","4","1","","Ni, Y.; Hughes, J. M.; Mariano, A. N.","Crystal chemistry of the monazite and xenotime structures Eu(PO4)","American Mineralogist","1995","80","","21","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001653","6.6435","","6.8414","","6.3281","","90","","103.976","","90","","279.103","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Monazite","- Gd O4 P -","- Gd O4 P -","- Gd4 O16 P4 -","4","1","","Ni, Y.; Hughes, J. M.; Mariano, A. N.","Crystal chemistry of the monazite and xenotime structures Gd(PO4)","American Mineralogist","1995","80","","21","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001654","6.8947","","6.8947","","6.0276","","90","","90","","90","","286.533","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","Xenotime-(Y)","- O4 P Y -","- O4 P Y -","- O16 P4 Y4 -","4","0.125","","Ni, Y.; Hughes, J. M.; Mariano, A. N.","Crystal chemistry of the monazite and xenotime structures","American Mineralogist","1995","80","","21","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001655","6.9309","","6.9309","","6.0606","","90","","90","","90","","291.135","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","Xenotime","- O4 P Tb -","- O4 P Tb -","- O16 P4 Tb4 -","4","0.125","","Ni, Y.; Hughes, J. M.; Mariano, A. N.","Crystal chemistry of the monazite and xenotime structures Tb(PO4)","American Mineralogist","1995","80","","21","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001656","6.9052","","6.9052","","6.0384","","90","","90","","90","","287.922","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","Xenotime","- Dy O4 P -","- Dy O4 P -","- Dy4 O16 P4 -","4","0.125","","Ni, Y.; Hughes, J. M.; Mariano, A. N.","Crystal chemistry of the monazite and xenotime structures Dy(PO4)","American Mineralogist","1995","80","","21","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001657","6.8773","","6.8773","","6.0176","","90","","90","","90","","284.616","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","Xenotime","- Ho O4 P -","- Ho O4 P -","- Ho4 O16 P4 -","4","0.125","","Ni, Y.; Hughes, J. M.; Mariano, A. N.","Crystal chemistry of the monazite and xenotime structures Ho(PO4)","American Mineralogist","1995","80","","21","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001658","6.8508","","6.8508","","5.9968","","90","","90","","90","","281.451","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","Xenotime","- Er O4 P -","- Er O4 P -","- Er4 O16 P4 -","4","0.125","","Ni, Y.; Hughes, J. M.; Mariano, A. N.","Crystal chemistry of the monazite and xenotime structures Er(PO4)","American Mineralogist","1995","80","","21","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001659","6.8294","","6.8294","","5.9798","","90","","90","","90","","278.902","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","Xenotime","- O4 P Tm -","- O4 P Tm -","- O16 P4 Tm4 -","4","0.125","","Ni, Y.; Hughes, J. M.; Mariano, A. N.","Crystal chemistry of the monazite and xenotime structures Tm(PO4)","American Mineralogist","1995","80","","21","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001660","6.8093","","6.8093","","5.9639","","90","","90","","90","","276.526","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","Xenotime-(Yb)","- O4 P Yb -","- O4 P Yb -","- O16 P4 Yb4 -","4","0.125","","Ni, Y.; Hughes, J. M.; Mariano, A. N.","Crystal chemistry of the monazite and xenotime structures Yb(PO4)","American Mineralogist","1995","80","","21","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001661","6.7828","","6.7828","","5.9467","","90","","90","","90","","273.586","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","Xenotime","- Lu O4 P -","- Lu O4 P -","- Lu4 O16 P4 -","4","0.125","","Ni, Y.; Hughes, J. M.; Mariano, A. N.","Crystal chemistry of the monazite and xenotime structures Lu(PO4)","American Mineralogist","1995","80","","21","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001662","9.889","","18.033","","5.296","","90","","105.08","","90","","911.904","","","","","","","","","","","","Hoskins mine, Grenfell, New South Wales, Australia","7","C 1 2/m 1","-C 2y","12","","","Ungarettiite","- Ca0.03 K0.152 Mg0.28 Mn4.72 Na2.798 O24 Si8 -","- Ca0.03 K0.152 Mg0.28 Mn4.72 Na2.798 O24 Si8 -","- Ca0.06 K0.304 Mg0.56 Mn9.44 Na5.596 O48 Si16 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Cannillo, E.; Sardone, N.; Zanetti, A.; Grice, J. D.; Ashley, P. M.","A new anhydrous amphibole from the Hoskins mine, Grenfell, New South Wales, Australia: Description and crystal structure of ungarettiite, NaNa2(Mn2Mn3)Si8O22O2 Sample U1","American Mineralogist","1995","80","","165","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:57",""
"9001663","9.893","","18.041","","5.295","","90","","105.1","","90","","912.419","","","","","","","","","","","","Hoskins mine, Grenfell, New South Wales, Australia","7","C 1 2/m 1","-C 2y","12","","","Ungarettiite","- Ca0.03 K0.152 Mg0.29 Mn4.71 Na2.77 O24 Si8 -","- Ca0.03 K0.152 Mg0.29 Mn4.71 Na2.77 O24 Si8 -","- Ca0.06 K0.304 Mg0.58 Mn9.42 Na5.54 O48 Si16 -","2","0.25","","Hawthorne, F. C.; Oberti, R.; Cannillo, E.; Sardone, N.; Zanetti, A.; Grice, J. D.; Ashley, P. M.","A new anhydrous amphibole from the Hoskins mine, Grenfell, New South Wales, Australia: Description and crystal structure of ungarettiite, NaNa2(Mn2Mn3)Si8O22O2 Sample U2","American Mineralogist","1995","80","","165","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:41:57",""
"9001664","9.777","","9.777","","33.293","","90","","90","","120","","2756.1","","","","","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","Minehillite","- Al2 Ca14 H8 K0.948 O64 Si20 Zn2.406 -","- Al2 Ca14 H8 K0.948 O64 Si20 Zn2.406 -","- Al4 Ca28 H16 K1.896 O128 Si40 Zn4.812 -","2","0.166667","","Dai, Y. S.; Post, J. E.; Appleman, D. E.","Crystal structure of minehillite: Twinning and structural relationships to reyerite","American Mineralogist","1995","80","","173","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001665","6.27","","6.821","","5.057","","90.68","","107.69","","104.46","","198.618","","","","","","","","","","","","","5","P -1","-P 1","2","","","Artroeite","- Al F3 H2 O2 Pb -","- Al F3 H2 O2 Pb -","- Al2 F6 H4 O4 Pb2 -","2","1","","Kampf, A. R.; Foord, E. E.","Artroeite, PbAlF3(OH)2, a new mineral from the Grand Reef mine, Graham County, Arizona: Description and crystal structure","American Mineralogist","1995","80","","179","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:43",""
"9001666","4.74","","10.23","","5.96","","90","","90","","90","","289.002","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.24 Mg1.76 O4 Si -","- Fe0.24 Mg1.76 O4 Si -","- Fe0.96 Mg7.04 O16 Si4 -","4","0.5","","Artioli, G.; Rinaldi, R.; Wilson, C. C.; Zanazzi, P. F.","High-temperature Fe-Mg cation partitioning in olivine: In-situ single-crystal neutron diffraction study T = room temperature Atomic parameters obtained from the ICSD","American Mineralogist","1995","80","","197","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001667","4.76","","10.33","","6.05","","90","","90","","90","","297.483","","","","1153.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.24 Mg1.76 O4 Si -","- Fe0.24 Mg1.76 O4 Si -","- Fe0.96 Mg7.04 O16 Si4 -","4","0.5","","Artioli, G.; Rinaldi, R.; Wilson, C. C.; Zanazzi, P. F.","High-temperature Fe-Mg cation partitioning in olivine: In-situ single-crystal neutron diffraction study T = 880 C Atomic parameters obtained from the ICSD","American Mineralogist","1995","80","","197","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001668","4.769","","10.33","","6.037","","90","","90","","90","","297.405","","","","1233.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.24 Mg1.76 O4 Si -","- Fe0.24 Mg1.76 O4 Si -","- Fe0.96 Mg7.04 O16 Si4 -","4","0.5","","Artioli, G.; Rinaldi, R.; Wilson, C. C.; Zanazzi, P. F.","High-temperature Fe-Mg cation partitioning in olivine: In-situ single-crystal neutron diffraction study T = 960 C Atomic parameters obtained from the ICSD","American Mineralogist","1995","80","","197","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001669","4.772","","10.35","","6.053","","90","","90","","90","","298.959","","","","1303.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.24 Mg1.76 O4 Si -","- Fe0.24 Mg1.76 O4 Si -","- Fe0.96 Mg7.04 O16 Si4 -","4","0.5","","Artioli, G.; Rinaldi, R.; Wilson, C. C.; Zanazzi, P. F.","High-temperature Fe-Mg cation partitioning in olivine: In-situ single-crystal neutron diffraction study T = 1030 C Atomic parameters obtained from the ICSD","American Mineralogist","1995","80","","197","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001670","4.77","","10.38","","6.07","","90","","90","","90","","300.541","","","","1333.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.24 Mg1.76 O4 Si -","- Fe0.24 Mg1.76 O4 Si -","- Fe0.96 Mg7.04 O16 Si4 -","4","0.5","","Artioli, G.; Rinaldi, R.; Wilson, C. C.; Zanazzi, P. F.","High-temperature Fe-Mg cation partitioning in olivine: In-situ single-crystal neutron diffraction study T = 1060 C Atomic parameters obtained from the ICSD","American Mineralogist","1995","80","","197","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001671","9.4123","","9.4123","","6.908","","90","","90","","120","","529.998","","","","","","","","","","","","","7","P 63/m","-P 6c","176","","","Fluorapatite","- Ca4.497 F La0.325 Na0.178 O12 P2.856 Si0.144 -","- Ca4.497 F La0.325 Na0.178 O12 P2.856 Si0.144 -","- Ca8.994 F2 La0.65 Na0.356 O24 P5.712 Si0.288 -","2","0.166667","","Fleet M E; Pan Y","Site preference of rare earth elements in fluorapatite Sample: La-FAp","American Mineralogist","1995","80","","329","335","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001672","9.3979","","9.3979","","6.8997","","90","","90","","120","","527.743","","","","","","","","","","","","","7","P 63/m","-P 6c","176","","","Fluorapatite","- Ca4.331 F Na0.257 Nd0.409 O12 P2.841 Si0.159 -","- Ca4.331 F Na0.257 Nd0.409 O12 P2.841 Si0.159 -","- Ca8.662 F2 Na0.514 Nd0.818 O24 P5.682 Si0.318 -","2","0.166667","","Fleet M E; Pan Y","Site preference of rare earth elements in fluorapatite Sample: Nd-FAp","American Mineralogist","1995","80","","329","335","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001673","9.3853","","9.3853","","6.8876","","90","","90","","120","","525.406","","","","","","","","","","","","","7","P 63/m","-P 6c","176","","","Fluorapatite","- Ca4.52 F Gd0.307 Na0.173 O12 P2.859 Si0.141 -","- Ca4.52 F Gd0.307 Na0.173 O12 P2.859 Si0.141 -","- Ca9.04 F2 Gd0.614 Na0.346 O24 P5.718 Si0.282 -","2","0.166667","","Fleet M E; Pan Y","Site preference of rare earth elements in fluorapatite Sample: Gd-FAp","American Mineralogist","1995","80","","329","335","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001674","9.3784","","9.3784","","6.8832","","90","","90","","120","","524.298","","","","","","","","","","","","","7","P 63/m","-P 6c","176","","","Fluorapatite","- Ca4.584 Dy0.258 F Na0.158 O12 P2.874 Si0.12 -","- Ca4.584 Dy0.258 F Na0.158 O12 P2.874 Si0.12 -","- Ca9.168 Dy0.516 F2 Na0.316 O24 P5.748 Si0.24 -","2","0.166667","","Fleet M E; Pan Y","Site preference of rare earth elements in fluorapatite Sample: Dy-FAp","American Mineralogist","1995","80","","329","335","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001675","12.672","","7.217","","5.341","","90","","90","","90","","488.455","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","Nchwaningite","- H4 Mn2 O6 Si -","- H4 Mn2 O6 Si -","- H16 Mn8 O24 Si4 -","4","1","","Nyfeler, D.; Armbruster, T.; Dixon, R.; Bermanec, V.","Nchwaningite, Mn2SiO3(OH)2.H2O, a new pyroxene-related chain silicate from the N'chwaning mine, Kalahari manganese field, South Africa","American Mineralogist","1995","80","","377","386","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:43",""
"9001676","5.07","","8.776","","13.778","","90.09","","90.12","","89.97","","613.041","","","","","","","","","","","","","6","C 1","C 1","1","","","Manandonite","- Al2.45 B0.56 H4 Li0.955 O9 Si1.015 -","- Al2.45 B0.56 H4 Li0.955 O9 Si1.015 -","- Al9.8 B2.24 H16 Li3.82 O36 Si4.06 -","4","","","Zheng, H.; Bailey, S. W.","The crystal structure of manandonite-2H2","American Mineralogist","1995","80","","387","393","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:43",""
"9001677","9.584","","5.679","","21.501","","90","","100.07","","90","","1152.22","","","","","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","Gillulyite","- As3.89 S6.5 Sb0.11 Tl -","- As3.89 S6.5 Sb0.11 Tl -","- As15.56 S26 Sb0.44 Tl4 -","4","1","","Foit, F. F.; Robinson, P. D.; Wilson, J. R.","The crystal structure of gillulyite, Tl2(As,Sb)8S13, from the Mercur gold deposit, Tooele County, Utah, U.S.A","American Mineralogist","1995","80","","394","399","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001678","9.909","","9.655","","8.502","","90","","97.29","","90","","806.823","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","Pararealgar","- As S -","- As S -","- As16 S16 -","16","4","","Bonazzi, P.; Menchetti, S.; Pratesi, G.","The crystal structure of pararealgar","American Mineralogist","1995","80","","400","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001679","4.587","","4.587","","2.954","","90","","90","","90","","62.154","","","","24","","","","","","","","","7","P 42/m n m","-P 4n 2n","136","","","Rutile","- Al0.011 Cr0.012 Fe0.008 H0.108 Nb0.011 O2 Ti0.96 -","- Al0.011 Cr0.012 Fe0.008 H0.108 Nb0.011 O2 Ti0.96 -","- Al0.022 Cr0.024 Fe0.016 H0.216 Nb0.022 O4 Ti1.92 -","2","0.125","","Swope, R. J.; Smyth, J. R.; Larson, A. C.","H in rutile-type compounds: I. Single-crystal neutron and X-ray diffraction study of H in rutile Sample: neutron; natural, T = 24 K","American Mineralogist","1995","80","","448","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001680","4.594","","4.594","","2.9586","","90","","90","","90","","62.441","","","","300","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","Rutile","- Al0.08 Cr0.01 Nb0.01 O2 Ti0.91 -","- Al0.08 Cr0.01 Nb0.01 O2 Ti0.91 -","- Al0.16 Cr0.02 Nb0.02 O4 Ti1.82 -","2","0.125","","Swope, R. J.; Smyth, J. R.; Larson, A. C.","H in rutile-type compounds: I. Single-crystal neutron and X-ray diffraction study of H in rutile Sample: X-ray; natural, T = 300 K","American Mineralogist","1995","80","","448","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001681","4.5922","","4.5922","","2.9574","","90","","90","","90","","62.367","","","","300","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Rutile","- O2 Ti0.992 -","- O2 Ti0.992 -","- O4 Ti1.984 -","2","0.125","","Swope, R. J.; Smyth, J. R.; Larson, A. C.","H in rutile-type compounds: I. Single-crystal neutron and X-ray diffraction study of H in rutile Sample: X-ray; synthetic, T = 300 K","American Mineralogist","1995","80","","448","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001682","4.1839","","4.1839","","2.6684","","90","","90","","90","","46.71","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Stishovite","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Smyth, J. R.; Swope, R. J.; Pawley, A. R.","H in rutile-type compounds: II. Crystal chemistry of Al substitution in H-bearing stishovite Sample: aluminous","American Mineralogist","1995","80","","454","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001683","4.1773","","4.1773","","2.6652","","90","","90","","90","","46.507","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Stishovite","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Smyth, J. R.; Swope, R. J.; Pawley, A. R.","H in rutile-type compounds: II. Crystal chemistry of Al substitution in H-bearing stishovite Sample: pure-silica","American Mineralogist","1995","80","","454","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001684","11.439","","11.439","","11.439","","90","","90","","90","","1496.8","","","","30","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","8","0.0833333","","Pavese, A.; Artioli, G.; Prencipe, M.","X-ray single-crystal diffraction study of pyrope in the temperature range 30-973 K T = 30 K","American Mineralogist","1995","80","","457","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001685","11.4544","","11.4544","","11.4544","","90","","90","","90","","1502.85","","","","300","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","8","0.0833333","","Pavese, A.; Artioli, G.; Prencipe, M.","X-ray single-crystal diffraction study of pyrope in the temperature range 30-973 K T = 300 K","American Mineralogist","1995","80","","457","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001686","11.5129","","11.5129","","11.5129","","90","","90","","90","","1526","","","","773","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","8","0.0833333","","Pavese, A.; Artioli, G.; Prencipe, M.","X-ray single-crystal diffraction study of pyrope in the temperature range 30-973 K T = 773 K","American Mineralogist","1995","80","","457","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001687","11.5348","","11.5348","","11.5348","","90","","90","","90","","1534.72","","","","973","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","8","0.0833333","","Pavese, A.; Artioli, G.; Prencipe, M.","X-ray single-crystal diffraction study of pyrope in the temperature range 30-973 K T = 973 K","American Mineralogist","1995","80","","457","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001688","9.59","","9.818","","6.86","","108.04","","99.63","","98.87","","590.694","","","","","","","","","","","","Barker pegmatite, near Keystone, Pennington County, South Dakota, USA","5","P -1","-P 1","2","","","Sinkankasite","- Al H15 Mn O15 P2 -","- Al H15 Mn O15 P2 -","- Al2 H30 Mn2 O30 P4 -","2","1","","Burns, P. C.; Hawthorne, F. C.","The crystal structure of sinkankasite, a complex heteropolyhedral sheet mineral Locality: Barker pegmatite, near Keystone, Pennington County, South Dakota, USA","American Mineralogist","1995","80","","620","627","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001689","3.6389","","16.311","","11.829","","90","","90","","90","","702.1","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","","Hillebrandite","- Ca3 H2 O7.5 Si1.5 -","- Ca3 H2 O7.5 Si1.5 -","- Ca12 H8 O30 Si6 -","4","0.5","","Dai, Y. S.; Post, J. E.","Crystal structure of hillebrandite: A natural analogue of calcium silicate hydrate (CSH) phases in Portland cement","American Mineralogist","1995","80","","841","844","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9001690","8.44183","","8.44183","","8.44183","","90","","90","","90","","601.603","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Qandilite","- Mg2 O4 Ti -","- Mg2 O4 Ti -","- Mg16 O32 Ti8 -","8","0.0416667","","Millard, R. L.; Peterson, R. C.; Hunter, B. K.","Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM445, 1405 C, Mg2TiO4","American Mineralogist","1995","80","","885","896","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001691","8.46948","","8.46948","","8.46948","","90","","90","","90","","607.534","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Qandilite","- Mg2 O4 Ti -","- Mg2 O4 Ti -","- Mg16 O32 Ti8 -","8","0.0416667","","Millard, R. L.; Peterson, R. C.; Hunter, B. K.","Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM509, 1210 C, Mg2TiO4","American Mineralogist","1995","80","","885","896","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001692","8.47056","","8.47056","","8.47056","","90","","90","","90","","607.766","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- O4 Ti Zn2 -","- O4 Ti Zn2 -","- O32 Ti8 Zn16 -","8","0.0416667","","Millard, R. L.; Peterson, R. C.; Hunter, B. K.","Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM526, 555 C, Zn2TiO4","American Mineralogist","1995","80","","885","896","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001693","8.4608","","8.4608","","8.4608","","90","","90","","90","","605.668","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- O4 Ti Zn2 -","- O4 Ti Zn2 -","- O32 Ti8 Zn16 -","8","0.0416667","","Millard, R. L.; Peterson, R. C.; Hunter, B. K.","Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM510, 490 C, Zn2TiO4","American Mineralogist","1995","80","","885","896","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001694","5.97705","","5.97705","","8.4161","","90","","90","","90","","300.666","","","","","","","","","","","","","3","P 41 2 2","P 4w 2c","91","","","Qandilite","- Mg2 O4 Ti -","- Mg2 O4 Ti -","- Mg8 O16 Ti4 -","4","0.5","","Millard, R. L.; Peterson, R. C.; Hunter, B. K.","Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM446, Mg2TiO4","American Mineralogist","1995","80","","885","896","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001695","6.00689","","6.00689","","8.41547","","90","","90","","90","","303.653","","","","","","","","","","","","","3","P 41 2 2","P 4w 2c","91","","","Qandilite","- Mg2 O4 Ti -","- Mg2 O4 Ti -","- Mg8 O16 Ti4 -","4","0.5","","Millard, R. L.; Peterson, R. C.; Hunter, B. K.","Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM510, Mg2TiO4","American Mineralogist","1995","80","","885","896","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001696","9.5015","","18.1289","","5.3089","","90","","102.09","","90","","894.184","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Cummingtonite","- Al0.012 Ca0.086 Fe2.558 Mg4.344 O24 Si8 -","- Al0.012 Ca0.086 Fe2.558 Mg4.344 O24 Si8 -","- Al0.024 Ca0.172 Fe5.116 Mg8.688 O48 Si16 -","2","0.25","","Yang, H.; Hirschmann, M. M.","Crystal structure of P2_1/m ferromagnesian amphibole and the role of cation ordering and composition in the P2_1/m - C2/m transition in cummingtonite Sample: UH1, untreated","American Mineralogist","1995","80","","916","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001697","9.5048","","18.1343","","5.3077","","90","","102.009","","90","","894.829","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","Cummingtonite","- Al0.014 Ca0.11 Fe2.622 Mg4.254 O24 Si8 -","- Al0.014 Ca0.11 Fe2.622 Mg4.254 O24 Si8 -","- Al0.028 Ca0.22 Fe5.244 Mg8.508 O48 Si16 -","2","0.5","","Yang, H.; Hirschmann, M. M.","Crystal structure of P2_1/m ferromagnesian amphibole and the role of cation ordering and composition in the P2_1/m - C2/m transition in cummingtonite Sample: 11a, heat treated at 600 C","American Mineralogist","1995","80","","916","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001698","9.5057","","18.1187","","5.3059","","90","","102.031","","90","","893.768","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","Cummingtonite","- Al0.014 Ca0.1 Fe2.473 Mg4.423 O24 Si8 -","- Al0.014 Ca0.1 Fe2.473 Mg4.423 O24 Si8 -","- Al0.028 Ca0.2 Fe4.946 Mg8.846 O48 Si16 -","2","0.5","","Yang, H.; Hirschmann, M. M.","Crystal structure of P2_1/m ferromagnesian amphibole and the role of cation ordering and composition in the P2_1/m - C2/m transition in cummingtonite Sample: 1c, heat treated at 700 C","American Mineralogist","1995","80","","916","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001699","18.316","","8.907","","5.218","","90","","90","","90","","851.268","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Ca0.043 Fe0.807 Mg1.15 O6 Si2 -","- Ca0.043 Fe0.807 Mg1.15 O6 Si2 -","- Ca0.344 Fe6.456 Mg9.2 O48 Si16 -","8","1","","Domeneghetti, M. C.; Molin, G. M.; Stimpfl, M.; Tribaudino, M.","Orthopyroxene from the Serra de Mage meteorite: Structure refinement and estimation of C2/c pyroxene contributions to apparent Pbca diffraction violations Sample: OPX SDM N.13, natural","American Mineralogist","1995","80","","923","929","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001700","18.32","","8.917","","5.219","","90","","90","","90","","852.573","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Ca0.043 Fe0.802 Mg1.155 O6 Si2 -","- Ca0.043 Fe0.802 Mg1.155 O6 Si2 -","- Ca0.344 Fe6.416 Mg9.24 O48 Si16 -","8","1","","Domeneghetti, M. C.; Molin, G. M.; Stimpfl, M.; Tribaudino, M.","Orthopyroxene from the Serra de Mage meteorite: Structure refinement and estimation of C2/c pyroxene contributions to apparent Pbca diffraction violations Sample: OPX SDM N.7, heated","American Mineralogist","1995","80","","923","929","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001701","9.414","","9.414","","2.75","","90","","90","","90","","243.714","","","","","","","","","","","","","4","I 4","I 4","79","","","Pb(Al,Si)4O8","- Al1.6 O8 Pb2.198 Si2.4 -","- Al1.6 O8 Pb2.198 Si2.4 -","- Al3.2 O16 Pb4.396 Si4.8 -","2","0.25","","Downs, R. T.; Hazen, R. M.; Finger, L. W.","Crystal chemistry of lead aluminosilicate hollandite: A new high-pressure synthetic phase with octahedral Si","American Mineralogist","1995","80","","937","940","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001702","10.75","","3.959","","12.49","","90","","115.25","","90","","480.777","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","Paakkonenite","- As S2 Sb2 -","- As S2 Sb2 -","- As4 S8 Sb8 -","4","0.5","","Bonazzi, P.; Borrini, D.; Mazzi, F.; Olmi, F.","Crystal structure and twinning of Sb2AsS2, the synthetic analogue of paakkonenite","American Mineralogist","1995","80","","1054","1058","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001703","8.773","","8.773","","10.746","","90","","90","","120","","716.265","","","","","","","","","","","","","7","P -6","P -6","174","","","Reederite-(Y)","- C9 Cl F Na15 O30 S Y2 -","- C9 Cl F Na15 O30 S Y2 -","- C9 Cl F Na15 O30 S Y2 -","1","0.166667","","Grice, J. D.; Gault, R. A.; Chao, G. Y.","Reederite -(Y), a new sodium rare-earth mineral with a unique fluorosulfate anion","American Mineralogist","1995","80","","1059","1064","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001704","5.9356","","5.9356","","23.576","","90","","90","","120","","719.333","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","Plumboferrite","- Fe11 O18.19 Pb2 -","- Fe11 O18.19 Pb2.00004 -","- Fe22 O36.38 Pb4.00008 -","2","0.0833333","","Holtstam, D.; Norrestam, R.; Sjodin, A.","Plumboferrite: New mineralogical data and atomic arrangement","American Mineralogist","1995","80","","1065","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001705","7.903","","7.903","","4.595","","90","","90","","120","","248.542","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ca1.11 Na1.8 O14 Si6 -","- Ca1.11 Na1.8 O14 Si6 -","- Ca1.11 Na1.8 O14 Si6 -","1","0.166667","","Gasparik, T.; Parise, J. B.; Eiben, B. A.; Hriljac, J. A.","Stability and structure of a new high-pressure silicate, Na1.8Ca1.1Si6O14 Sample: data collected on a diffractometer Note: U(2,3) for Si2, Na/Ca altered to match symmetry constraints.","American Mineralogist","1995","80","","1269","1276","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001706","7.903","","7.903","","4.595","","90","","90","","120","","248.542","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ca1.11 Na1.8 O14 Si6 -","- Ca1.11 Na1.8 O14 Si6 -","- Ca1.11 Na1.8 O14 Si6 -","1","0.166667","","Gasparik, T.; Parise, J. B.; Eiben, B. A.; Hriljac, J. A.","Stability and structure of a new high-pressure silicate, Na1.8Ca1.1Si6O14 Sample: data collected on an image plate Note: U(2,3) for Si2, Na/Ca altered to match symmetry constraints.","American Mineralogist","1995","80","","1269","1276","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001707","5.855","","8.762","","13.094","","90","","90","","90","","671.742","","","","110","","","","","","","","","5","P 21 c n","","","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al8 Ca4 H16 O40 Si8 -","4","1","","Libowitzky, E.; Armbruster, T.","Low-temperature phase transitions and the role of hydrogen bonds in lawsonite Sample: T = 110 K","American Mineralogist","1995","80","","1277","1285","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001708","5.853","","8.766","","13.1","","90","","90","","90","","672.127","","","","155","","","","","","","","","5","P m c n","","","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al8 Ca4 H16 O40 Si8 -","4","0.5","","Libowitzky, E.; Armbruster, T.","Low-temperature phase transitions and the role of hydrogen bonds in lawsonite Sample: T = 155 K","American Mineralogist","1995","80","","1277","1285","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001709","5.852","","8.777","","13.113","","90","","90","","90","","673.523","","","","233","","","","","","","","","5","P m c n","","","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al8 Ca4 H16 O40 Si8 -","4","0.5","","Libowitzky, E.; Armbruster, T.","Low-temperature phase transitions and the role of hydrogen bonds in lawsonite Sample: T = 233 K","American Mineralogist","1995","80","","1277","1285","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001710","5.847","","8.79","","13.128","","90","","90","","90","","674.715","","","","295","","","","","","","","","5","C m c m","-C 2c 2","63","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al8 Ca4 H16 O40 Si8 -","4","0.25","","Libowitzky, E.; Armbruster, T.","Low-temperature phase transitions and the role of hydrogen bonds in lawsonite Sample: T = 295 K","American Mineralogist","1995","80","","1277","1285","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001711","5.851","","8.799","","13.136","","90","","90","","90","","676.28","","","","410","","","","","","","","","5","C m c m","-C 2c 2","63","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al8 Ca4 H16 O40 Si8 -","4","0.25","","Libowitzky, E.; Armbruster, T.","Low-temperature phase transitions and the role of hydrogen bonds in lawsonite Sample: T = 410 K","American Mineralogist","1995","80","","1277","1285","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001712","5.857","","8.81","","13.15","","90","","90","","90","","678.542","","","","500","","","","","","","","","5","C m c m","-C 2c 2","63","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al8 Ca4 H16 O40 Si8 -","4","0.25","","Libowitzky, E.; Armbruster, T.","Low-temperature phase transitions and the role of hydrogen bonds in lawsonite Sample: T = 500 K","American Mineralogist","1995","80","","1277","1285","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9004345","10.706","","7.458","","10.824","","90","","105.85","","90","","831.387","","","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","","Fichtelite","- C19 H33 -","- C19 H34 -","- C38 H68 -","2","1","","Mace, H. A.; Peterson, R. C.","The crystal structure of fichtelite, a naturally occuring hydrocarbon","The Canadian Mineralogist","1995","33","","7","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:15:15",""
"9004346","9.8182","","18.032","","5.2699","","90","","104.68","","90","","902.536","","","","","","","","","","","","Synthetic","5","C 1 2/m 1","-C 2y","12","","","Tremolite","- Ca1.92 F2 Mg5.08 O22 Si8 -","- Ca1.92 F2 Mg5.08 O22 Si8 -","- Ca3.84 F4 Mg10.16 O44 Si16 -","2","0.25","","Jenkins, D. M.; Hawthorne, F. C.","Synthesis and rietveld refinement of amphibole along the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2 Sample: TREM 19-3","The Canadian Mineralogist","1995","33","","13","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004347","9.8356","","18.025","","5.2801","","90","","104.793","","90","","905.064","","","","","","","","","","","","Synthetic","7","C 1 2/m 1","-C 2y","12","","","Pargasite","- Ca1.92 F2 Ga0.68 Mg4.92 Na0.27 O22 Si7.48 -","- Ca1.92 F2 Ga0.68 Mg4.92 Na0.27 O22 Si7.48 -","- Ca3.84 F4 Ga1.36 Mg9.84 Na0.54 O44 Si14.96 -","2","0.25","","Jenkins, D. M.; Hawthorne, F. C.","Synthesis and rietveld refinement of amphibole along the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2 Sample: PARG 10-1","The Canadian Mineralogist","1995","33","","13","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004348","9.862","","18.025","","5.293","","90","","104.924","","90","","909.159","","","","","","","","","","","","Synthetic","7","C 1 2/m 1","-C 2y","12","","","Pargasite","- Ca1.8 F2 Ga1.28 Mg4.82 Na0.46 O22 Si7.04 -","- Ca1.8 F2 Ga1.28 Mg4.82 Na0.46 O22 Si7.04 -","- Ca3.6 F4 Ga2.56 Mg9.64 Na0.92 O44 Si14.08 -","2","0.25","","Jenkins, D. M.; Hawthorne, F. C.","Synthesis and rietveld refinement of amphibole along the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2 Sample: PARG 9-1","The Canadian Mineralogist","1995","33","","13","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004349","9.882","","18.017","","5.299","","90","","105.068","","90","","911.017","","","","","","","","","","","","Synthetic","7","C 1 2/m 1","-C 2y","12","","","Pargasite","- Ca1.96 F2 Ga1.62 Mg4.6 Na0.71 O22 Si6.8 -","- Ca1.96 F2 Ga1.62 Mg4.6 Na0.71 O22 Si6.8 -","- Ca3.92 F4 Ga3.24 Mg9.2 Na1.42 O44 Si13.6 -","2","0.25","","Jenkins, D. M.; Hawthorne, F. C.","Synthesis and rietveld refinement of amphibole along the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2 Sample: PARG 8-2","The Canadian Mineralogist","1995","33","","13","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004350","9.897","","18.01","","5.3059","","90","","105.165","","90","","912.816","","","","","","","","","","","","Synthetic","7","C 1 2/m 1","-C 2y","12","","","Pargasite","- Ca1.78 F2 Ga2.36 Mg4.57 Na0.8 O22 Si6.28 -","- Ca1.78 F2 Ga2.36 Mg4.57 Na0.8 O22 Si6.28 -","- Ca3.56 F4 Ga4.72 Mg9.14 Na1.6 O44 Si12.56 -","2","0.25","","Jenkins, D. M.; Hawthorne, F. C.","Synthesis and rietveld refinement of amphibole along the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2 Sample: PARG 7-1","The Canadian Mineralogist","1995","33","","13","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004351","9.8992","","17.992","","5.3081","","90","","105.19","","90","","912.376","","","","","","","","","","","","Synthetic","7","C 1 2/m 1","-C 2y","12","","","Pargasite","- Ca1.72 F2 Ga2.42 Mg4.48 Na0.86 O22 Si6.32 -","- Ca1.72 F2 Ga2.42 Mg4.48 Na0.86 O22 Si6.32 -","- Ca3.44 F4 Ga4.84 Mg8.96 Na1.72 O44 Si12.64 -","2","0.25","","Jenkins, D. M.; Hawthorne, F. C.","Synthesis and rietveld refinement of amphibole along the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2 Sample: PARG 6-4","The Canadian Mineralogist","1995","33","","13","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004352","9.82","","17.896","","5.294","","90","","105.3","","90","","897.386","","","","","","","","","","","","Synthetic","7","C 1 2/m 1","-C 2y","12","","","Fluoropargasite","- Al2.762 Ca2.12 F2 Mg4.306 Na0.85 O22 Si6.012 -","- Al2.762 Ca2.12 F2 Mg4.306 Na0.85 O22 Si6.012 -","- Al5.524 Ca4.24 F4 Mg8.612 Na1.7 O44 Si12.024 -","2","0.25","","Oberti, R.; Sardone, N.; Hawthorne, F. C.; Raudsepp, M.; Turnock, A. C.","Synthesis and crystal-structure refinement of synthetic fluor-pargasite Sample: FP1 [note: ideal = NaCa2(Mg4Al)(Si6Al2)O22(OH)2]","The Canadian Mineralogist","1995","33","","25","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004353","9.808","","17.868","","5.297","","90","","105.3","","90","","895.395","","","","","","","","","","","","Synthetic","8","C 1 2/m 1","-C 2y","12","","","Fluoropargasite","- Al3.058 Ca2.2 F2 Fe2 Mg8.062 Na0.8 O22 Si5.88 -","- Al3.058 Ca2.2 F2 Fe2 Mg8.062 Na0.8 O22 Si5.88 -","- Al6.116 Ca4.4 F4 Fe4 Mg16.124 Na1.6 O44 Si11.76 -","2","0.25","","Oberti, R.; Sardone, N.; Hawthorne, F. C.; Raudsepp, M.; Turnock, A. C.","Synthesis and crystal-structure refinement of synthetic fluor-pargasite Sample FP2 [note: ideal = NaCa2(Mg4Al)(Si6Al2)O22(OH)2]","The Canadian Mineralogist","1995","33","","25","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004354","5.765","","5.765","","18.001","","90","","90","","120","","518.115","","","","","","","","","","","","","5","P 32","P 32","145","","","Parakhinite","- Cu3 H2 O8 Pb Te -","- Cu3 H2 O8 Pb Te -","- Cu9 H6 O24 Pb3 Te3 -","3","1","","Burns, P. C.; Cooper, M. A.; Hawthorne, F. C.","Parakhinite, Cu3PbTeO6(OH)2: Crystal structure and revision of chemical formula","The Canadian Mineralogist","1995","33","","33","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52",""
"9004355","11.274","","11.669","","6.603","","90","","98.19","","90","","859.807","","","","","","","","","","","","type sample from Clear Creek mercury mine, San Benito County, California, USA","3","C 1 2/c 1","-C 2yc","15","","","Wattersite","- Cr Hg5 O6 -","- Cr Hg5 O6 -","- Cr4 Hg20 O24 -","4","0.5","","Groat, L. A.; Roberts, A. C.; Le Page, Y.","The crystal structure of wattersite, Hg4HgCrO6","The Canadian Mineralogist","1995","33","","41","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004356","12.157","","12.157","","12.157","","90","","90","","90","","1796.71","","","","","","","","","","","","","10","I a -3 d","-I 4bd 2c 3","230","","","Schorlomite","- Al0.14 Ca2.88 Fe1.36 Mg0.13 Mn0.02 Na0.03 O12 Si2.34 Ti1.06 Zr0.04 -","- Al0.14 Ca2.88 Fe1.36 Mg0.13 Mn0.02 Na0.03 O12 Si2.34 Ti1.06 Zr0.04 -","- Al1.12 Ca23.04 Fe10.88 Mg1.04 Mn0.16 Na0.24 O96 Si18.72 Ti8.48 Zr0.32 -","8","0.0833333","","Peterson, R. C.; Locock, A. J.; Luth, R. W.","Positional disorder of oxygen in garnet: the crystal-structure refinement of schorlomite Sample: model 1","The Canadian Mineralogist","1995","33","","627","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004357","12.157","","12.157","","12.157","","90","","90","","90","","1796.71","","","","","","","","","","","","","10","I a -3 d","-I 4bd 2c 3","230","","","Schorlomite","- Al0.14 Ca2.88 Fe1.36 Mg0.13 Mn0.02 Na0.03 O12 Si2.34 Ti1.06 Zr0.04 -","- Al0.14 Ca2.88 Fe1.36 Mg0.13 Mn0.02 Na0.03 O12 Si2.34 Ti1.06 Zr0.04 -","- Al1.12 Ca23.04 Fe10.88 Mg1.04 Mn0.16 Na0.24 O96 Si18.72 Ti8.48 Zr0.32 -","8","0.0833333","","Peterson, R. C.; Locock, A. J.; Luth, R. W.","Positional disorder of oxygen in garnet: the crystal-structure refinement of schorlomite Sample: model 2, split oxygen","The Canadian Mineralogist","1995","33","","627","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004358","6.6733","","6.6733","","9.185","","90","","90","","120","","354.235","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","Claringbullite","- Cl Cu1.995 H3 O3 -","- Cl Cu1.995 H3 O3 -","- Cl4 Cu7.98 H12 O12 -","4","0.166667","","Burns, P. C.; Cooper, M. A.; Hawthorne, F. C.","Claringbullite: A Cu oxysalt with Cu in trigonal-prismatic coordination","The Canadian Mineralogist","1995","33","","633","639","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004359","9.107","","5.213","","4.605","","90","","98.74","","90","","216.083","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","Frankhawthorneite","- Cu2 H2 O6 Te -","- Cu2 H2 O6 Te -","- Cu4 H4 O12 Te2 -","2","0.5","","Grice, J. D.; Roberts, A. C.","Frankhawthorneite, a unique HCP framework structure of a cupric tellurate","The Canadian Mineralogist","1995","33","","649","653","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004360","7.8142","","10.2424","","13.2726","","90","","90.294","","90","","1062.27","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","Skinnerite","- Cu6 S6 Sb2 -","- Cu6 S6 Sb2 -","- Cu24 S24 Sb8 -","4","1","","Makovicky, E.; Balic-Zunic T","The crystal structure of skinnerite, P2_1/c-Cu3SbS3, from powder data","The Canadian Mineralogist","1995","33","","655","663","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004361","10.349","","10.349","","10.349","","90","","90","","90","","1108.4","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","Owensite","- Ba5.438 Cu13.092 Fe11.908 Pb0.562 S27 -","- Ba5.4384 Cu13.0925 Fe11.9075 Pb0.5616 S27 -","- Ba5.4384 Cu13.0925 Fe11.9075 Pb0.5616 S27 -","1","0.0208333","","Szymanski, J. T.","The crystal structure of owensite, (Ba,Pb)6(Cu,Fe,Ni)25S27, a new member of the djerfisherite group","The Canadian Mineralogist","1995","33","","671","677","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004362","15.949","","15.949","","7.188","","90","","90","","120","","1583.45","","","","","","","","","","","","East Africa","13","R 3 m :H","R 3 -2""","160","","","Uvite","- Al5.514 B3 Ca0.813 Cr0.003 F0.967 H3.033 Li0.024 Mg3.591 Na0.173 O30.033 Si5.814 Ti0.027 V0.027 -","- Al5.514 B3 Ca0.813 Cr0.003 F0.967 H3.033 Li0.024 Mg3.591 Na0.173 O30.033 Si5.814 Ti0.027 V0.027 -","- Al16.542 B9 Ca2.439 Cr0.009 F2.901 H9.099 Li0.072 Mg10.773 Na0.519 O90.099 Si17.442 Ti0.081 V0.081 -","3","0.166667","","MacDonald, D. J.; Hawthorne, F. C.","The crystal chemistry of Si=Al substitution in tourmaline Sample: T72","The Canadian Mineralogist","1995","33","","849","858","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9004363","15.95","","15.95","","7.174","","90","","90","","120","","1580.57","","","","","","","","","","","","East Africa","13","R 3 m :H","R 3 -2""","160","","","Uvite","- Al5.892 B3 Ca0.762 Cr0.003 F0.832 H3.168 Li0.06 Mg3.327 Na0.229 O30.168 Si5.664 Ti0.027 V0.024 -","- Al5.892 B3 Ca0.762 Cr0.003 F0.832 H3.168 Li0.06 Mg3.327 Na0.229 O30.168 Si5.664 Ti0.027 V0.024 -","- Al17.676 B9 Ca2.286 Cr0.009 F2.496 H9.504 Li0.18 Mg9.981 Na0.687 O90.504 Si16.992 Ti0.081 V0.072 -","3","0.166667","","MacDonald, D. J.; Hawthorne, F. C.","The crystal chemistry of Si=Al substitution in tourmaline Sample: T73","The Canadian Mineralogist","1995","33","","849","858","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9004364","15.94","","15.94","","7.177","","90","","90","","120","","1579.25","","","","","","","","","","","","East Africa","13","R 3 m :H","R 3 -2""","160","","","Uvite","- Al5.814 B3 Ca0.697 Cr0.006 F0.835 H3.165 Li0.075 Mg3.291 Na0.288 O30.165 Si5.736 Ti0.027 V0.051 -","- Al5.814 B3 Ca0.697 Cr0.006 F0.835 H3.165 Li0.075 Mg3.291 Na0.288 O30.165 Si5.736 Ti0.027 V0.051 -","- Al17.442 B9 Ca2.091 Cr0.018 F2.505 H9.495 Li0.225 Mg9.873 Na0.864 O90.495 Si17.208 Ti0.081 V0.153 -","3","0.166667","","MacDonald, D. J.; Hawthorne, F. C.","The crystal chemistry of Si=Al substitution in tourmaline Sample: T74","The Canadian Mineralogist","1995","33","","849","858","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9004365","15.94","","15.94","","7.163","","90","","90","","120","","1576.17","","","","","","","","","","","","East Africa","13","R 3 m :H","R 3 -2""","160","","","Uvite","- Al6.132 B3 Ca0.768 Cr0.006 F0.737 H3.263 Li0.111 Mg3.108 Na0.205 O30.263 Si5.55 Ti0.033 V0.06 -","- Al6.132 B3 Ca0.768 Cr0.006 F0.737 H3.263 Li0.111 Mg3.108 Na0.205 O30.263 Si5.55 Ti0.033 V0.06 -","- Al18.396 B9 Ca2.304 Cr0.018 F2.211 H9.789 Li0.333 Mg9.324 Na0.615 O90.789 Si16.65 Ti0.099 V0.18 -","3","0.166667","","MacDonald, D. J.; Hawthorne, F. C.","The crystal chemistry of Si=Al substitution in tourmaline Sample: T75","The Canadian Mineralogist","1995","33","","849","858","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9004366","15.938","","15.938","","7.179","","90","","90","","120","","1579.29","","","","","","","","","","","","East Africa","13","R 3 m :H","R 3 -2""","160","","","Uvite","- Al5.76 B3 Ca0.595 Cr0.009 F0.784 H3.216 Li0.09 Mg3.201 Na0.362 O30.216 Si5.808 Ti0.021 V0.111 -","- Al5.76 B3 Ca0.595 Cr0.009 F0.784 H3.216 Li0.09 Mg3.201 Na0.362 O30.216 Si5.808 Ti0.021 V0.111 -","- Al17.28 B9 Ca1.785 Cr0.027 F2.352 H9.648 Li0.27 Mg9.603 Na1.086 O90.648 Si17.424 Ti0.063 V0.333 -","3","0.166667","","MacDonald, D. J.; Hawthorne, F. C.","The crystal chemistry of Si=Al substitution in tourmaline Sample: T76","The Canadian Mineralogist","1995","33","","849","858","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9004367","15.959","","15.959","","7.175","","90","","90","","120","","1582.57","","","","","","","","","","","","East Africa","13","R 3 m :H","R 3 -2""","160","","","Uvite","- Al5.916 B3 Ca0.716 Cr0.021 F0.915 H6.085 Li0.057 Mg3.186 Na0.255 O33.085 Si5.586 Ti0.033 V0.201 -","- Al5.916 B3 Ca0.716 Cr0.021 F0.915 H3.085 Li0.057 Mg3.186 Na0.255 O30.085 Si5.586 Ti0.033 V0.201 -","- Al17.748 B9 Ca2.148 Cr0.063 F2.745 H9.255 Li0.171 Mg9.558 Na0.765 O90.255 Si16.758 Ti0.099 V0.603 -","3","0.166667","","MacDonald, D. J.; Hawthorne, F. C.","The crystal chemistry of Si=Al substitution in tourmaline Sample: T77","The Canadian Mineralogist","1995","33","","849","858","","","","","","","","","","","","","","","","","","","","","","has coordinates","283912","2023-05-21","08:41:26",""
"9004368","15.955","","15.955","","7.17","","90","","90","","120","","1580.68","","","","","","","","","","","","East Africa","13","R 3 m :H","R 3 -2""","160","","","Uvite","- Al6.084 B3 Ca0.774 Cr0.021 F0.808 H3.192 Li0.078 Mg3.141 Na0.202 O30.192 Si5.514 Ti0.036 V0.126 -","- Al6.084 B3 Ca0.774 Cr0.021 F0.808 H3.192 Li0.078 Mg3.141 Na0.202 O30.192 Si5.514 Ti0.036 V0.126 -","- Al18.252 B9 Ca2.322 Cr0.063 F2.424 H9.576 Li0.234 Mg9.423 Na0.606 O90.576 Si16.542 Ti0.108 V0.378 -","3","0.166667","","MacDonald, D. J.; Hawthorne, F. C.","The crystal chemistry of Si=Al substitution in tourmaline Sample: T78","The Canadian Mineralogist","1995","33","","849","858","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9004369","15.958","","15.958","","7.18","","90","","90","","120","","1583.48","","","","","","","","","","","","East Africa","13","R 3 m :H","R 3 -2""","160","","","Uvite","- Al5.862 B3 Ca0.769 Cr0.009 F0.805 H3.195 Li0.054 Mg3.288 Na0.202 O30.195 Si5.628 Ti0.036 V0.123 -","- Al5.862 B3 Ca0.769 Cr0.009 F0.805 H3.195 Li0.054 Mg3.288 Na0.202 O30.195 Si5.628 Ti0.036 V0.123 -","- Al17.586 B9 Ca2.307 Cr0.027 F2.415 H9.585 Li0.162 Mg9.864 Na0.606 O90.585 Si16.884 Ti0.108 V0.369 -","3","0.166667","","MacDonald, D. J.; Hawthorne, F. C.","The crystal chemistry of Si=Al substitution in tourmaline Sample: T79","The Canadian Mineralogist","1995","33","","849","858","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9004370","15.957","","15.957","","7.175","","90","","90","","120","","1582.18","","","","","","","","","","","","East Africa","13","R 3 m :H","R 3 -2""","160","","","Uvite","- Al5.916 B3 Ca0.746 Cr0.015 F0.854 H3.146 Li0.066 Mg3.21 Na0.221 O30.146 Si5.604 Ti0.027 V0.162 -","- Al5.916 B3 Ca0.746 Cr0.015 F0.854 H3.146 Li0.066 Mg3.21 Na0.221 O30.146 Si5.604 Ti0.027 V0.162 -","- Al17.748 B9 Ca2.238 Cr0.045 F2.562 H9.438 Li0.198 Mg9.63 Na0.663 O90.438 Si16.812 Ti0.081 V0.486 -","3","0.166667","","MacDonald, D. J.; Hawthorne, F. C.","The crystal chemistry of Si=Al substitution in tourmaline Sample: T80","The Canadian Mineralogist","1995","33","","849","858","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9004371","5.09","","8.822","","19.819","","90","","95.62","","90","","885.674","","","","","","","","","","","","Recice, Czech Republic","5","C 1 2/c 1","-C 2yc","15","","","Boromuscovite","- Al1.92 B K0.41 O12 Si3 -","- Al1.92 B K0.41 O12 Si3 -","- Al7.68 B4 K1.64 O48 Si12 -","4","0.5","","Liang, J.; Hawthorne, F. C.; Novak, M.; Cerny, P.","Crystal-structure refinement of boromuscovite polytypes using a coupled Rietveld-static-structure energy-minimization method Sample: 2M1 polytype","The Canadian Mineralogist","1995","33","","859","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004372","5.102","","8.788","","10.076","","90","","101.23","","90","","443.121","","","","","","","","","","","","Recice, Czech Republic","6","C 1 2/m 1","-C 2y","12","","","Boromuscovite","- Al0.82 B H2 K0.2 O12 Si3 -","- Al0.82 B H2 K0.2 O12 Si3 -","- Al1.64 B2 H4 K0.4 O24 Si6 -","2","0.25","","Liang, J.; Hawthorne, F. C.; Novak, M.; Cerny, P.","Crystal-structure refinement of boromuscovite polytypes using a coupled Rietveld-static-structure energy-minimization method Sample: 1M polytype","The Canadian Mineralogist","1995","33","","859","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004373","9.873","","18.011","","5.299","","90","","105.17","","90","","909.447","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Hornblende","- Al2.318 Ca1.84 Cr0.08 Fe1.08 H2 K0.039 Mg3.33 Na0.744 O24 Si6.232 Ti0.12 -","- Al2.318 Ca1.84 Cr0.08 Fe1.08 H2 K0.039 Mg3.33 Na0.744 O24 Si6.232 Ti0.12 -","- Al4.636 Ca3.68 Cr0.16 Fe2.16 H4 K0.078 Mg6.66 Na1.488 O48 Si12.464 Ti0.24 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.","[6]Al disorder in amphiboles from mantle peridotites Sample: F1","The Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004374","9.867","","17.998","","5.285","","90","","105.19","","90","","905.753","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Hornblende","- Al2.512 Ca1.82 Fe1.03 H2 K0.005 Mg3.43 Na0.774 O24 Si6.168 Ti0.04 -","- Al2.512 Ca1.82 Fe1.03 H2 K0.005 Mg3.43 Na0.774 O24 Si6.168 Ti0.04 -","- Al5.024 Ca3.64 Fe2.06 H4 K0.01 Mg6.86 Na1.548 O48 Si12.336 Ti0.08 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.","[6]Al disorder in amphiboles from mantle peridotites Sample: F3","The Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004375","9.86","","17.984","","5.29","","90","","105.26","","90","","904.961","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Hornblende","- Al2.142 Ca1.88 Cr0.04 Fe0.59 H2 K0.336 Mg3.7 Na0.586 O24 Si6.568 Ti0.04 -","- Al2.142 Ca1.88 Cr0.04 Fe0.59 H2 K0.336 Mg3.7 Na0.586 O24 Si6.568 Ti0.04 -","- Al4.284 Ca3.76 Cr0.08 Fe1.18 H4 K0.672 Mg7.4 Na1.172 O48 Si13.136 Ti0.08 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.","[6]Al disorder in amphiboles from mantle peridotites Sample: F4","The Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004376","9.828","","17.917","","5.29","","90","","105.16","","90","","899.09","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","Hornblende","- Al2.66 Ca1.76 Fe0.83 H2 K0.024 Mg3.55 Na0.76 O24 Si6.2 -","- Al2.66 Ca1.76 Fe0.83 H2 K0.024 Mg3.55 Na0.76 O24 Si6.2 -","- Al5.32 Ca3.52 Fe1.66 H4 K0.048 Mg7.1 Na1.52 O48 Si12.4 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.","[6]Al disorder in amphiboles from mantle peridotites Sample: F5","The Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004377","9.866","","17.994","","5.291","","90","","105.24","","90","","906.273","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Hornblende","- Al2.242 Ca1.84 Cr0.06 Fe0.55 H2 K0.037 Mg3.9 Na0.68 O24 Si6.368 Ti0.04 -","- Al2.242 Ca1.84 Cr0.06 Fe0.55 H2 K0.037 Mg3.9 Na0.68 O24 Si6.368 Ti0.04 -","- Al4.484 Ca3.68 Cr0.12 Fe1.1 H4 K0.074 Mg7.8 Na1.36 O48 Si12.736 Ti0.08 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.","[6]Al disorder in amphiboles from mantle peridotites Sample: F7","The Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004378","9.861","","17.959","","5.289","","90","","105.32","","90","","903.365","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Hornblende","- Al2.318 Ca1.84 Cr0.04 Fe0.53 H2 K0.04 Mg3.88 Na0.7 O24 Si6.312 Ti0.04 -","- Al2.318 Ca1.84 Cr0.04 Fe0.53 H2 K0.04 Mg3.88 Na0.7 O24 Si6.312 Ti0.04 -","- Al4.636 Ca3.68 Cr0.08 Fe1.06 H4 K0.08 Mg7.76 Na1.4 O48 Si12.624 Ti0.08 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.","[6]Al disorder in amphiboles from mantle peridotites Sample: F8","The Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004379","9.874","","17.995","","5.298","","90","","105.4","","90","","907.563","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Hornblende","- Al2.434 Ca1.84 Cr0.06 Fe0.86 H2 K0.03 Mg3.53 Na0.775 O24 Si6.216 Ti0.06 -","- Al2.434 Ca1.84 Cr0.06 Fe0.86 H2 K0.03 Mg3.53 Na0.775 O24 Si6.216 Ti0.06 -","- Al4.868 Ca3.68 Cr0.12 Fe1.72 H4 K0.06 Mg7.06 Na1.55 O48 Si12.432 Ti0.12 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.","[6]Al disorder in amphiboles from mantle peridotites Sample: F9","The Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004380","9.871","","17.962","","5.279","","90","","105.22","","90","","903.152","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Hornblende","- Al2.574 Ca1.82 Cr0.02 Fe0.59 H2 K0.01 Mg3.78 Na0.892 O24 Si6.176 Ti0.04 -","- Al2.574 Ca1.82 Cr0.02 Fe0.59 H2 K0.01 Mg3.78 Na0.892 O24 Si6.176 Ti0.04 -","- Al5.148 Ca3.64 Cr0.04 Fe1.18 H4 K0.02 Mg7.56 Na1.784 O48 Si12.352 Ti0.08 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.","[6]Al disorder in amphiboles from mantle peridotites Sample: F10","The Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004381","9.857","","17.932","","5.285","","90","","105.36","","90","","900.787","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al2.812 Ca3.64 Cr0.04 Fe0.64 H2 K0.013 Mg3.82 Na0.933 O24 Si6.088 -","- Al2.812 Ca3.64 Cr0.04 Fe0.64 H2 K0.013 Mg3.82 Na0.933 O24 Si6.088 -","- Al5.624 Ca7.28 Cr0.08 Fe1.28 H4 K0.026 Mg7.64 Na1.866 O48 Si12.176 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.","[6]Al disorder in amphiboles from mantle peridotites Sample: F11","The Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004382","9.854","","17.935","","5.285","","90","","105.31","","90","","900.879","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al2.814 Ca1.8 Cr0.04 Fe0.44 H2 K0.01 Mg3.81 Na0.915 O24 Si6.096 -","- Al2.814 Ca1.8 Cr0.04 Fe0.44 H2 K0.01 Mg3.81 Na0.915 O24 Si6.096 -","- Al5.628 Ca3.6 Cr0.08 Fe0.88 H4 K0.02 Mg7.62 Na1.83 O48 Si12.192 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.","[6]Al disorder in amphiboles from mantle peridotites Sample: F12","The Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004383","9.886","","18.009","","5.291","","90","","105.24","","90","","908.867","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Hornblende","- Al1.702 Ca1.92 Cr0.22 Fe0.35 H2 K0.17 Mg4.14 Na0.533 O24 Si6.608 Ti0.06 -","- Al1.702 Ca1.92 Cr0.22 Fe0.35 H2 K0.17 Mg4.14 Na0.533 O24 Si6.608 Ti0.06 -","- Al3.404 Ca3.84 Cr0.44 Fe0.7 H4 K0.34 Mg8.28 Na1.066 O48 Si13.216 Ti0.12 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.","[6]Al disorder in amphiboles from mantle peridotites Sample: F13","The Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004384","9.855","","17.927","","5.283","","90","","105.44","","90","","899.666","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al2.838 Ca1.8 Cr0.02 Fe0.47 H2 K0.007 Mg3.8 Na0.935 O24 Si6.072 -","- Al2.838 Ca1.8 Cr0.02 Fe0.47 H2 K0.007 Mg3.8 Na0.935 O24 Si6.072 -","- Al5.676 Ca3.6 Cr0.04 Fe0.94 H4 K0.014 Mg7.6 Na1.87 O48 Si12.144 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.","[6]Al disorder in amphiboles from mantle peridotites Sample: F14","The Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004385","9.854","","17.931","","5.282","","90","","105.33","","90","","900.08","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al2.824 Ca1.76 Cr0.04 Fe0.43 H2 K0.01 Mg3.81 Na0.948 O24 Si6.096 -","- Al2.824 Ca1.76 Cr0.04 Fe0.43 H2 K0.01 Mg3.81 Na0.948 O24 Si6.096 -","- Al5.648 Ca3.52 Cr0.08 Fe0.86 H4 K0.02 Mg7.62 Na1.896 O48 Si12.192 -","2","0.25","","Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E.","[6]Al disorder in amphiboles from mantle peridotites Sample: F15","The Canadian Mineralogist","1995","33","","867","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004386","11.024","","10.303","","7.391","","90","","109.4","","90","","791.809","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","Cuspidine","- Ca2 F2 Lu Na O7 Si2 -","- Ca2 F2 Lu Na O7 Si2 -","- Ca8 F8 Lu4 Na4 O28 Si8 -","4","1","","Fleet, M. E.; Pan, Y.","The structure of NaCa2LuSi2O7F2, a synthetic phase of the cuspidine group","The Canadian Mineralogist","1995","33","","879","884","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004387","8.5894","","8.2076","","5.9286","","90","","90","","90","","417.957","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","Olivenite","- As Cu2 O5 -","- As Cu2 O5 -","- As4 Cu8 O20 -","4","0.5","","Burns, P. C.; Hawthorne, F. C.","Rietveld refinement of the crystal structure of olivenite: A twinned monoclinic structure","The Canadian Mineralogist","1995","33","","885","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004388","8.5894","","8.2073","","5.9285","","90.088","","90","","90","","417.934","","","","","","","","","","","","","3","P 21/n 1 1","-P 2xn","14","","","Olivenite","- As Cu2 O5 -","- As Cu2 O5 -","- As4 Cu8 O20 -","4","1","","Burns, P. C.; Hawthorne, F. C.","Rietveld refinement of the crystal structure of olivenite: A twinned monoclinic structure Note: The sign of Cu1-z coordinate changed.","The Canadian Mineralogist","1995","33","","885","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004389","13.447","","15.022","","17.601","","90","","90","","90","","3555.42","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","Varennesite","- H2 Mn2 Na8 O39 Si10 -","- H2 Mn2 Na8 O39 Si10 -","- H8 Mn8 Na32 O156 Si40 -","4","0.25","","Grice, J. D.; Gault, R. A.","Varennesite, a new species of hydrated Na-Mn silicate with a unique monophyllosilicate structure","The Canadian Mineralogist","1995","33","","1073","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004390","10.4369","","10.4369","","20.8871","","90","","90","","120","","1970.39","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Lindsleyite","- Ba Mn3 O38 Ti18 -","- Ba Mn3 O38 Ti18 -","- Ba3 Mn9 O114 Ti54 -","3","0.166667","","Peterson, R. C.; Grey, I. E.","Preparation and structure refinement of synthetic Ti-containing lindsleyite, BaMn3Ti18O38","The Canadian Mineralogist","1995","33","","1083","1089","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004391","8.755","","13.987","","17.73","","90","","104.13","","90","","2105.46","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Zippeite","- H5 K O12 S U2 -","- H5 K O12 S U2 -","- H40 K8 O96 S8 U16 -","8","1","","Vochten, R.; Van Haverbeke, L.; Van Springel, K.; Blaton, N.; Peeters, O. M.","The structure and physicochemical characteristics of synthetic zippeite Note: S occupancies increase from .5 to full to match formula","The Canadian Mineralogist","1995","33","","1091","1101","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004392","7.084","","7.293","","16.881","","90","","90","","90","","872.133","","","","","","","","","","","","","5","P 21 n m","P -2 2ac","31","","","Guilleminite","- Ba H6 O17 Se2 U3 -","- Ba H6 O17 Se2 U3 -","- Ba2 H12 O34 Se4 U6 -","2","0.5","","Cooper, M. A.; Hawthorne, F. C.","The crystal structure of guilleminite, a hydrated Ba-U-Se sheet structure","The Canadian Mineralogist","1995","33","","1103","1109","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004393","9.841","","10.818","","15.733","","95.71","","90.94","","103.11","","1621.87","","","","","","","","","","","","Cap Garone, France","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Geminite","- As Cu H3 O5 -","- As Cu H3 O5 -","- As16 Cu16 H48 O80 -","16","","","Cooper, M. A.; Hawthorne, F. C.","The crystal structure of geminite, Cu(AsO3OH)(H2O), a heteropolyhedral sheet structure","The Canadian Mineralogist","1995","33","","1111","1118","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004394","7.667","","6.053","","9.316","","90","","90","","90","","432.34","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","Mottramite","- Cu H O5 Pb V -","- Cu H O5 Pb V -","- Cu4 H4 O20 Pb4 V4 -","4","0.5","","Cooper, M. A.; Hawthorne, F. C.","The crystal structure of mottramite, and the nature of Cu=Zn solid solution in the mottramite-descloizite series","The Canadian Mineralogist","1995","33","","1119","1124","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9004395","5.88","","5.88","","5.5","","90","","90","","90","","190.159","","","","","","","","","","","","","5","P 4 m m","P 4 -2","99","","","Diaboleite","- Cl2 Cu H4 O4 Pb2 -","- Cl2 Cu H4 O4 Pb2 -","- Cl2 Cu H4 O4 Pb2 -","1","0.125","","Cooper, M. A.; Hawthorne, F. C.","Diaboleite, Pb2Cu(OH)4Cl2, a defect perovskite structure with stereoactive lone-pair behavior of Pb","The Canadian Mineralogist","1995","33","","1125","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004396","9.776","","12.194","","4.43","","90","","90","","90","","528.094","","","","","","","","","","","","Himalaya mine, California, USA","4","P b c a","-P 2ac 2ab","61","","","Hambergite","- B Be2 H O4 -","- B Be2 H O4 -","- B8 Be16 H8 O32 -","8","1","","Burns, P. C.; Novak, M.; Hawthorne, F. C.","Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM1","The Canadian Mineralogist","1995","33","","1205","1213","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004397","9.754","","12.231","","4.434","","90","","90","","90","","528.981","","","","","","","","","","","","Susice","4","P b c a","-P 2ac 2ab","61","","","Hambergite","- B Be2 H O4 -","- B Be2 H O4 -","- B8 Be16 H8 O32 -","8","1","","Burns, P. C.; Novak, M.; Hawthorne, F. C.","Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM2","The Canadian Mineralogist","1995","33","","1205","1213","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004398","9.678","","12.313","","4.439","","90","","90","","90","","528.974","","","","","","","","","","","","Ctidruzice","4","P b c a","-P 2ac 2ab","61","","","Hambergite","- B Be2 H O4 -","- B Be2 H O4 -","- B8 Be16 H8 O32 -","8","1","","Burns, P. C.; Novak, M.; Hawthorne, F. C.","Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM3","The Canadian Mineralogist","1995","33","","1205","1213","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004399","9.663","","12.364","","4.44","","90","","90","","90","","530.462","","","","","","","","","","","","Kracovice","4","P b c a","-P 2ac 2ab","61","","","Hambergite","- B Be2 H O4 -","- B Be2 H O4 -","- B8 Be16 H8 O32 -","8","1","","Burns, P. C.; Novak, M.; Hawthorne, F. C.","Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM4","The Canadian Mineralogist","1995","33","","1205","1213","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004400","9.654","","12.347","","4.4364","","90","","90","","90","","528.81","","","","","","","","","","","","Kracovice","4","P b c a","-P 2ac 2ab","61","","","Hambergite","- B Be2 H O4 -","- B Be2 H O4 -","- B8 Be16 H8 O32 -","8","1","","Burns, P. C.; Novak, M.; Hawthorne, F. C.","Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM5","The Canadian Mineralogist","1995","33","","1205","1213","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004401","15.917","","15.917","","7.189","","90","","90","","120","","1577.33","","","","","","","","","","","","","9","R 3 m :H","R 3 -2""","160","","","Uvite","- Al6.45 B3 Ca0.43 Cr0.06 H3 Mg2.49 Na0.4 O31 Si6 -","- Al6.45 B3 Ca0.43 Cr0.06 H3 Mg2.49 Na0.4 O31 Si6 -","- Al19.35 B9 Ca1.29 Cr0.18 H9 Mg7.47 Na1.2 O93 Si18 -","3","0.166667","","Taylor, M. C.; Cooper, M. A.; Hawthorne, F. C.","Local charge-compensation in hydroxyl-deficient uvite","The Canadian Mineralogist","1995","33","","1215","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004402","14.886","","14.886","","14.886","","90","","90","","90","","3298.63","","","","","","","","","","","","","17","F -4 3 m","F -4 2 3","216","","","Murataite-(Y)","- Ca0.36 Dy0.3 Er0.3 F8 Fe Ho0.12 Lu0.06 Mn0.18 Na4.06 Nb1.56 O32.34 Si0.11 Ti9.56 Tm0.06 Y2.22 Yb0.3 Zn2.81 -","- Ca0.36 Dy0.3 Er0.3 F7.99996 Fe Ho0.12 Lu0.06 Mn0.18 Na4.06 Nb1.56 O32.34 Si0.11 Ti9.56 Tm0.06 Y2.22 Yb0.3 Zn2.81 -","- Ca1.44 Dy1.2 Er1.2 F31.9998 Fe4 Ho0.48 Lu0.24 Mn0.72 Na16.24 Nb6.24 O129.36 Si0.44 Ti38.24 Tm0.24 Y8.88 Yb1.2 Zn11.24 -","4","0.0416667","","Ercit, T. S.; Hawthorne, F. C.","Murataite, a UB12 derivative structure with condensed Keggin molecules","The Canadian Mineralogist","1995","33","","1223","1229","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005234","9.678","","8.836","","5.257","","90","","106.9","","90","","430.137","","","","","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.25 Ca0.645 Cr0.044 Fe0.112 Mg0.957 Mn0.002 Na0.094 O6 Si1.888 Ti0.008 -","- Al0.25 Ca0.645 Cr0.044 Fe0.112 Mg0.957 Mn0.002 Na0.094 O6 Si1.888 Ti0.008 -","- Al Ca2.58 Cr0.176 Fe0.448 Mg3.828 Mn0.008 Na0.376 O24 Si7.552 Ti0.032 -","4","0.5","","Comodi, P.; Princivalle, F.; Tirone, M.; Zanazzi, P. F.","Comparative compressibility of clinopyroxenes from mantle nodules Sample: PC135 at room conditions","European Journal of Mineralogy","1995","7","","141","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005235","9.702","","8.878","","5.252","","90","","106.2","","90","","434.415","","","","","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.121 Ca0.828 Cr0.023 Fe0.072 Mg0.89 Mn0.001 Na0.102 O6 Si1.962 Ti0.002 -","- Al0.121 Ca0.828 Cr0.023 Fe0.072 Mg0.89 Mn0.001 Na0.102 O6 Si1.962 Ti0.002 -","- Al0.484 Ca3.312 Cr0.092 Fe0.288 Mg3.56 Mn0.004 Na0.408 O24 Si7.848 Ti0.008 -","4","0.5","","Comodi, P.; Princivalle, F.; Tirone, M.; Zanazzi, P. F.","Comparative compressibility of clinopyroxenes from mantle nodules Sample: 3211 at room conditions","European Journal of Mineralogy","1995","7","","141","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005236","11.91","","20.4","","4.73","","90","","90","","90","","1149.22","","","","","","","","","","","","","9","P m c n","-P 2n 2a","62","","","Magnesiodumortierite","- Al5.22 B Fe0.01 H2.96 Mg0.99 O18 P0.02 Si2.88 Ti0.19 -","- Al5.22 B Fe0.01 H2.96 Mg0.99 O18 P0.02 Si2.88 Ti0.19 -","- Al20.88 B4 Fe0.04 H11.84 Mg3.96 O72 P0.08 Si11.52 Ti0.76 -","4","0.5","","Ferraris, G.; Ivaldi, G.; Chopin, C.","Magnesiodumortierite, a new mineral from very-high-pressure rocks (Western Alps). Part I: Crystal structure","European Journal of Mineralogy","1995","7","","167","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005237","12.005","","12.675","","6.546","","90","","114.55","","90","","906.017","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","Alluaudite","- Ca0.98 Cd0.946 Mg2 Na1.074 O12 P3 -","- Ca0.98 Cd0.946 Mg2 Na1.074 O12 P3 -","- Ca3.92 Cd3.784 Mg8 Na4.296 O48 P12 -","4","0.5","","Antenucci, D.; Fransolet, A. M.; Miehe, G.; Tarte, P.","Synthese et cristallochimie de NaCaCdMg2(PO4)3, Phosphate nouveau a structure alluaudite sans cation trivalent Note: P2 y-coordinate changed to reproduce bond lengths","European Journal of Mineralogy","1995","7","","175","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005238","10.058","","10.058","","14.336","","90","","90","","120","","1255.98","","","","","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","Osumilite","- Al4.2 Ba0.09 Mg2 O30 Si10.8 -","- Al4.2 Ba0.09 Mg2 O30 Si10.8 -","- Al8.4 Ba0.18 Mg4 O60 Si21.6 -","2","0.0833333","","Winter, W.; Armbruster, T.; Lengauer, C.","Crystal structure refinement of synthetic osumilite-type phases: BaMg2Al6Si9O30, SrMg2Al6Si9O30 and Mg2Al4Si11O30 Sample: MAS, Mg2Al4Si11O30","European Journal of Mineralogy","1995","7","","277","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005239","10.129","","10.129","","14.34","","90","","90","","120","","1274.13","","","","","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","Osumilite","- Al6 Ba Mg2 O30 Si9 -","- Al6 Ba Mg2 O30 Si9 -","- Al12 Ba2 Mg4 O60 Si18 -","2","0.0833333","","Winter, W.; Armbruster, T.; Lengauer, C.","Crystal structure refinement of synthetic osumilite-type phases: BaMg2Al6Si9O30, SrMg2Al6Si9O30 and Mg2Al4Si11O30 Sample: CBa, BaMg2Al6Si9O30","European Journal of Mineralogy","1995","7","","277","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005240","10.1273","","10.1273","","14.2274","","90","","90","","120","","1263.7","","","","","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","Osumilite","- Al5.82 Mg2 O30 Si9.18 Sr0.91 -","- Al5.82 Mg2 O30 Si9.18 Sr0.91 -","- Al11.64 Mg4 O60 Si18.36 Sr1.82 -","2","0.0833333","","Winter, W.; Armbruster, T.; Lengauer, C.","Crystal structure refinement of synthetic osumilite-type phases: BaMg2Al6Si9O30, SrMg2Al6Si9O30 and Mg2Al4Si11O30 Sample: CSr, SrMg2Al6Si9O30","European Journal of Mineralogy","1995","7","","277","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005241","8.66","","13.102","","7.229","","90","","116.06","","90","","736.838","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","Sanidine","- Ga K O8 Si3 -","- Ga K O8 Si3 -","- Ga4 K4 O32 Si12 -","4","0.5","","Kimata, M.; Saito, S.; Shimizu, M.","Structure of sanidine-type KGaSi3O8: Tetrahedral-site disordering in potassium feldspar","European Journal of Mineralogy","1995","7","","287","293","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005242","18.109","","20.485","","7.523","","90","","90","","90","","2790.75","","","","","","","","","","","","Ponza, Italy","7","C m c m","-C 2c 2","63","","","Mordenite","- Al2.04 Ca0.4 H22 K0.66 Na0.56 O30.94 Si9.96 -","- Al2.04 Ca0.4 H13.88 K0.66 Na0.56 O30.94 Si9.96 -","- Al8.16 Ca1.6 H55.52 K2.64 Na2.24 O123.76 Si39.84 -","4","0.25","","Passaglia, E.; Artioli, G.; Gualtieri, A.; Carnevali, R.","Diagenetic mordenite from Ponza, Italy","European Journal of Mineralogy","1995","7","","429","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005243","7.393","","8.711","","17.58","","103.81","","91.81","","109.51","","1028.62","","","","","","","","","","","","","4","P -1","-P 1","2","","","Jankovicite","- As1.467 S11 Sb5.033 Tl2.5 -","- As1.46667 S11 Sb5.03333 Tl2.5 -","- As2.93334 S22 Sb10.0667 Tl5 -","2","1","","Libowitzky, E.; Giester, G.; Tillmanns, E.","The crystal structure of jankovicite, Tl5Sb9(As,Sb)4S22","European Journal of Mineralogy","1995","7","","479","487","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005244","18.347","","18.561","","6.587","","90","","90","","90","","2243.13","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al1.927 H4 Na2 O12 Si3.073 -","- Al1.927 H4 Na2 O12 Si3.073 -","- Al15.416 H32 Na16 O96 Si24.584 -","8","0.5","","Alberti, A.; Cruciani, G.; Dauru, I.","Order-disorder in natrolite-group minerals","European Journal of Mineralogy","1995","7","","501","508","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005245","9.404","","9.404","","7.636","","90","","90","","120","","584.819","","","","","","","","","","","","Moctezuma Mine, Moctezuma, Sonora, Mexico","7","P 63/m","-P 6c","176","","","Zemannite","- Fe1.1 H24 Mg0.45 Mn0.08 O13.08 Te3 Zn0.82 -","- Fe1.1 H8.16 Mg0.45 Mn0.08 O13.08 Te3 Zn0.82 -","- Fe2.2 H16.32 Mg0.9 Mn0.16 O26.16 Te6 Zn1.64 -","2","0.166667","","Miletich, F.","Crystal chemistry of the microporous tellurite minerals zemannite and kinichilite, Mg0.5[MeFe(TeO3)3].4.5H2O, (Me=Zn;Mn) Note: sample moc6","European Journal of Mineralogy","1995","7","","509","523","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005246","9.42","","9.42","","7.657","","90","","90","","120","","588.425","","","","","","","","","","","","Bambolla Mine, Moctezuma, Sonora, Mexico","7","P 63/m","-P 6c","176","","","Zemannite","- Fe0.98 H24 Mg0.51 Mn0.18 O13.5 Te3 Zn0.84 -","- Fe0.98 H9 Mg0.51 Mn0.18 O13.5 Te3 Zn0.84 -","- Fe1.96 H18 Mg1.02 Mn0.36 O27 Te6 Zn1.68 -","2","0.166667","","Miletich, F.","Crystal chemistry of the microporous tellurite minerals zemannite and kinichilite, Mg0.5[MeFe(TeO3)3].4.5H2O, (Me=Zn;Mn) Note: sample bam6","European Journal of Mineralogy","1995","7","","509","523","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005247","9.451","","9.451","","7.687","","90","","90","","120","","594.625","","","","","","","","","","","","Kawazu Mine, Rendaiji, Shimoda City, Shizuoka Prefecture, Japan","7","P 63/m","-P 6c","176","","","Kinichilite","- Fe0.98 H24 Mg0.51 Mn0.48 O13.5 Te3 Zn0.54 -","- Fe0.98 H9 Mg0.51 Mn0.48 O13.5 Te3 Zn0.54 -","- Fe1.96 H18 Mg1.02 Mn0.96 O27 Te6 Zn1.08 -","2","0.166667","","Miletich, F.","Crystal chemistry of the microporous tellurite minerals zemannite and kinichilite, Mg0.5[MeFe(TeO3)3].4.5H2O, (Me=Zn;Mn) Note: sample kaw4","European Journal of Mineralogy","1995","7","","509","523","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005248","10.363","","16.31","","9.132","","90","","105.34","","90","","1488.51","","","","293.15","","","","","","","","Kola Peninsula, Russia","7","C 1 2/m 1","-C 2y","12","","","Altisite","- Al2 Cl3 K5.5 Na3.5 O26 Si8 Ti2 -","- Al2 Cl3 K5.5 Na3.5 O26 Si8 Ti2 -","- Al4 Cl6 K11 Na7 O52 Si16 Ti4 -","2","0.25","","Ferraris, G.; Ivaldi, G.; Khomyakov, A. P.","Altisite Na3K6Ti2[Al2Si8O26]Cl3 a new hyperalkaline aluminosilicate from Kola Peninsula (Russia) related to lemoynite: crystal structure and thermal evolution Sample: RT, T = 20 C, before heating","European Journal of Mineralogy","1995","7","","537","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005249","10.423","","16.333","","9.16","","90","","105.62","","90","","1501.8","","","","973.15","","","","","","","","Kola Peninsula, Russia","7","C 1 2/m 1","-C 2y","12","","","Altisite","- Al2 Cl3 K5.5 Na3.5 O26 Si8 Ti2 -","- Al2 Cl3 K5.5 Na3.5 O26 Si8 Ti2 -","- Al4 Cl6 K11 Na7 O52 Si16 Ti4 -","2","0.25","","Ferraris, G.; Ivaldi, G.; Khomyakov, A. P.","Altisite Na3K6Ti2[Al2Si8O26]Cl3 a new hyperalkaline aluminosilicate from Kola Peninsula (Russia) related to lemoynite: crystal structure and thermal evolution Sample: HT, T = 700 C","European Journal of Mineralogy","1995","7","","537","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005250","10.337","","16.257","","9.099","","90","","105.49","","90","","1473.53","","","","293.15","","","","","","","","Kola Peninsula, Russia","7","C 1 2/m 1","-C 2y","12","","","Altisite","- Al2 Cl3 K5.5 Na3.5 O26 Si8 Ti2 -","- Al2 Cl3 K5.5 Na3.5 O26 Si8 Ti2 -","- Al4 Cl6 K11 Na7 O52 Si16 Ti4 -","2","0.25","","Ferraris, G.; Ivaldi, G.; Khomyakov, A. P.","Altisite Na3K6Ti2[Al2Si8O26]Cl3 a new hyperalkaline aluminosilicate from Kola Peninsula (Russia) related to lemoynite: crystal structure and thermal evolution Sample: RT', T = 20 C, after heating","European Journal of Mineralogy","1995","7","","537","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005251","11.841","","9.553","","9.942","","90","","94.87","","90","","1120.55","","","","","","","","","","","","Lavrion Mining District, Greece","5","C 1 2/m 1","-C 2y","12","","","Mereiterite","- Fe H8 K2 O12 S2 -","- Fe H8 K2 O12 S2 -","- Fe4 H32 K8 O48 S8 -","4","0.5","","Giester, G.; Rieck, B.","Mereiterite, K2Fe[SO4]2.4H2O, a new leonite-type mineral from the Lavrion Mining District, Greece","European Journal of Mineralogy","1995","7","","559","566","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9005252","4.699","","5.817","","4.887","","91.33","","92.08","","83.9","","132.713","","","","","","","","","","","","","4","P -1","-P 1","2","","","Cuproscheelite","- Cu0.7 O4 W Zn0.3 -","- Cu0.7 O4 W Zn0.3 -","- Cu1.4 O8 W2 Zn0.6 -","2","1","","Redfern, S. A. T.; Bell, A. M. T.; Henderson, M. B.; Schofield, P. F.","Rietveld study of the structural phase transition in the sanmartinite (ZnWO4)- cuproscheelite (CuWO4) solid solution Sample: Cu.7Zn.3WO4","European Journal of Mineralogy","1995","7","","1019","1028","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005253","4.689","","5.77","","4.899","","90.84","","91.52","","85.87","","132.144","","","","","","","","","","","","","4","P -1","-P 1","2","","","Sanmartinite","- Cu0.45 O4 W Zn0.55 -","- Cu0.45 O4 W Zn0.55 -","- Cu0.9 O8 W2 Zn1.1 -","2","1","","Redfern, S. A. T.; Bell, A. M. T.; Henderson, M. B.; Schofield, P. F.","Rietveld study of the structural phase transition in the sanmartinite (ZnWO4)- cuproscheelite (CuWO4) solid solution Sample: x=0.55","European Journal of Mineralogy","1995","7","","1019","1028","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005254","4.687","","5.726","","4.92","","90","","90.85","","90","","132.027","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","Sanmartinite","- Cu0.15 O4 W Zn0.85 -","- Cu0.15 O4 W Zn0.85 -","- Cu0.3 O8 W2 Zn1.7 -","2","0.5","","Redfern, S. A. T.; Bell, A. M. T.; Henderson, M. B.; Schofield, P. F.","Rietveld study of the structural phase transition in the sanmartinite (ZnWO4)- cuproscheelite (CuWO4) solid solution Sample: x=0.85","European Journal of Mineralogy","1995","7","","1019","1028","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005255","9.81","","18.091","","5.294","","90","","104.58","","90","","909.285","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Tremolite","- Al0.83 Ca1.67 F0.027 Fe1.4 H1.973 K0.04 Mg3.65 Mn0.03 Na0.15 O23.973 Si7.38 -","- Al0.83 Ca1.67 F0.027 Fe1.4 H1.973 K0.04 Mg3.65 Mn0.03 Na0.15 O23.973 Si7.38 -","- Al1.66 Ca3.34 F0.054 Fe2.8 H3.946 K0.08 Mg7.3 Mn0.06 Na0.3 O47.946 Si14.76 -","2","0.25","","Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.; Memmi, I.","Temperature-dependent Al order-disorder in the tetrahedral double chain of C2/m amphiboles Sample: S(1)","European Journal of Mineralogy","1995","7","","1049","1063","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005256","9.856","","18.078","","5.311","","90","","104.85","","90","","914.691","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Magnesiohornblende","- Al1.33 Ca1.81 F0.047 Fe1.63 H1.953 K0.13 Mg3.14 Mn0.02 Na0.28 O23.953 Si6.92 Ti0.15 -","- Al1.33 Ca1.81 F0.047 Fe1.63 H1.953 K0.13 Mg3.14 Mn0.02 Na0.28 O23.953 Si6.92 Ti0.15 -","- Al2.66 Ca3.62 F0.094 Fe3.26 H3.906 K0.26 Mg6.28 Mn0.04 Na0.56 O47.906 Si13.84 Ti0.3 -","2","0.25","","Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.; Memmi, I.","Temperature-dependent Al order-disorder in the tetrahedral double chain of C2/m amphiboles Sample: S(3)","European Journal of Mineralogy","1995","7","","1049","1063","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005257","9.869","","18.058","","5.32","","90","","105.03","","90","","915.666","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al0.86 Ca1.85 F0.042 Fe1.55 H1.958 K0.1 Mg2.98 Mn0.02 Na0.43 O23.958 Si7.49 Ti0.21 -","- Al0.86 Ca1.85 F0.042 Fe1.55 H1.958 K0.1 Mg2.98 Mn0.02 Na0.43 O23.958 Si7.49 Ti0.21 -","- Al1.72 Ca3.7 F0.084 Fe3.1 H3.916 K0.2 Mg5.96 Mn0.04 Na0.86 O47.916 Si14.98 Ti0.42 -","2","0.25","","Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.; Memmi, I.","Temperature-dependent Al order-disorder in the tetrahedral double chain of C2/m amphiboles Sample: S(5)","European Journal of Mineralogy","1995","7","","1049","1063","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005258","9.867","","18.044","","5.318","","90","","105.06","","90","","914.298","","","","","","","","","","","","","14","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al0.97 Ca1.84 F0.028 Fe1.57 H1.972 K0.1 Mg2.97 Mn0.02 Na0.45 Ni0.01 O23.972 Si7.4 Ti0.21 Zn0.01 -","- Al0.97 Ca1.84 F0.028 Fe1.57 H1.972 K0.1 Mg2.97 Mn0.02 Na0.45 Ni0.01 O23.972 Si7.4 Ti0.21 Zn0.01 -","- Al1.94 Ca3.68 F0.056 Fe3.14 H3.944 K0.2 Mg5.94 Mn0.04 Na0.9 Ni0.02 O47.944 Si14.8 Ti0.42 Zn0.02 -","2","0.25","","Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.; Memmi, I.","Temperature-dependent Al order-disorder in the tetrahedral double chain of C2/m amphiboles Sample: S(6) Note: O(5) y-coordinate changed to reproduce reported bond lengths","European Journal of Mineralogy","1995","7","","1049","1063","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005259","9.87","","18.046","","5.318","","90","","105.04","","90","","914.764","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al0.99 Ca1.83 F0.042 Fe1.45 H1.958 K0.1 Mg3.06 Mn0.02 Na0.47 O23.958 Si7.31 Ti0.33 -","- Al0.99 Ca1.83 F0.042 Fe1.45 H1.958 K0.1 Mg3.06 Mn0.02 Na0.47 O23.958 Si7.31 Ti0.33 -","- Al1.98 Ca3.66 F0.084 Fe2.9 H3.916 K0.2 Mg6.12 Mn0.04 Na0.94 O47.916 Si14.62 Ti0.66 -","2","0.25","","Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.; Memmi, I.","Temperature-dependent Al order-disorder in the tetrahedral double chain of C2/m amphiboles Sample: S(7)","European Journal of Mineralogy","1995","7","","1049","1063","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005260","12.34","","12.34","","12.34","","90","","90","","90","","1879.08","","","","","","","","","","","","Wessels mine, Kalahari manganese field, South Africa","7","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Al0.26 Ca3 Fe1.54 H5.4 Mn0.2 O12 Si1.65 -","- Al0.26 Ca3 Fe1.54 Mn0.2 O12 Si1.65 -","- Al2.08 Ca24 Fe12.32 Mn1.6 O96 Si13.2 -","8","0.0833333","","Armbruster, T.","Structure refinement of hydrous andradite, Ca3Fe1.54Mn0.02Al0.26(SiO4)1.65(O4H4)1.35, from the Wessels mine, Kalahari manganese field, South Africa Note: reported coordinates of Ca and Y-site made no sense, they have been changed Locality: Wessels mine, Kalahari manganese field, South Africa","European Journal of Mineralogy","1995","7","","1221","1225","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005261","5.492","","13.324","","20.685","","90","","90","","90","","1513.63","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","","Orthowalpurgite","- As2 Bi4 H4 O16 U -","- As2 Bi4 H4 O16 U -","- As8 Bi16 H16 O64 U4 -","4","0.5","","Krause, W.; Effenberger, H.; Brandstatter, F.","Orthowalpurgite, (UO2)Bi4O4(AsO4)2.2H2O, a new mineral from the Black Forest, Germany Locality: Black Forest, Germany","European Journal of Mineralogy","1995","7","","1313","1324","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9005262","8.197","","8.197","","7.312","","90","","90","","120","","425.478","","","","","","","","","","","","","6","P -3","-P 3","147","","","Sabelliite","- As2.4 Cu6 H6 O21 Sb0.42 Zn2.86 -","- As2.4 Cu6 H6 O21 Sb0.42 Zn2.86 -","- As2.4 Cu6 H6 O21 Sb0.42 Zn2.86 -","1","0.166667","","Olmi, F.; Sabelli, C.; Trosti-Ferroni R","The crystal structure of sabelliite","European Journal of Mineralogy","1995","7","","1331","1337","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005263","8.729","","31.326","","4.903","","90","","90","","90","","1340.7","","","","","","","","","","","","","6","P n a b","-P 2bc 2n","60","","","Chiavennite","- Be2 Ca H6 Mn O17 Si5 -","- Be2 Ca H6 Mn O17 Si5 -","- Be8 Ca4 H24 Mn4 O68 Si20 -","4","0.5","","Tazzoli, V.; Domeneghetti, M. C.; Mazzi, F.; Cannillo, E.","The crystal structure of chiavennite","European Journal of Mineralogy","1995","7","","1339","1334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9006316","8.33","","8.33","","8.33","","90","","90","","90","","578.01","","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Maghemite","- Fe2 O3 -","- Fe1.77777 O2.66667 -","- Fe21.3333 O32 -","12","0.0625","","Pecharroman, C.; Gonzalez-Carreno T; Iglesias, J. E.","The infrared dielectric properties of maghemite, gamma-Fe2O3, from reflectance measurement on pressed powders Sample: a) idealized","Physics and Chemistry of Minerals","1995","22","","21","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006317","8.33","","8.33","","8.33","","90","","90","","90","","578.01","","","","","","","","","","","","","2","P 41 3 2","P 4bd 2ab 3","213","","","Maghemite","- Fe2 O3 -","- Fe1.77778 O2.66667 -","- Fe21.3333 O32 -","12","0.5","","Pecharroman, C.; Gonzalez-Carreno T; Iglesias, J. E.","The infrared dielectric properties of maghemite, gamma-Fe2O3, from reflectance measurement on pressed powders Sample: b) idealized","Physics and Chemistry of Minerals","1995","22","","21","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006318","8.33","","8.33","","24.99","","90","","90","","90","","1734.03","","","","","","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","","","Maghemite","- Fe3 O4 -","- Fe3 O4 -","- Fe72 O96 -","24","3","","Pecharroman, C.; Gonzalez-Carreno T; Iglesias, J. E.","The infrared dielectric properties of maghemite, gamma-Fe2O3, from reflectance measurement on pressed powders Sample: c) idealized, either one of Fe-oct 1-6, or both Fe-oct 6-7 have zero occupancy","Physics and Chemistry of Minerals","1995","22","","21","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006319","11.533","","11.533","","11.533","","90","","90","","90","","1534.01","","","","","","","","","","","","metasedimentary rocks of the Ivrea-Verbano Zone, Italy","9","I a -3 d","-I 4bd 2c 3","230","","","Almandine","- Al1.99 Ca0.24 Cr0.01 Fe1.59 Mg1.119 Mn0.039 O12 Si3 Ti0.01 -","- Al1.99 Ca0.24 Cr0.01 Fe1.59 Mg1.119 Mn0.039 O12 Si3 Ti0.01 -","- Al15.92 Ca1.92 Cr0.08 Fe12.72 Mg8.952 Mn0.312 O96 Si24 Ti0.08 -","8","0.0833333","","Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L.","Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample MP14","Physics and Chemistry of Minerals","1995","22","","159","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006320","11.565","","11.565","","11.565","","90","","90","","90","","1546.81","","","","","","","","","","","","metasedimentary rocks of the Ivrea-Verbano Zone, Italy","7","I a -3 d","-I 4bd 2c 3","230","","","Almandine","- Al2 Ca0.51 Fe1.431 Mg1.02 Mn0.039 O12 Si3 -","- Al2 Ca0.51 Fe1.431 Mg1.02 Mn0.039 O12 Si3 -","- Al16 Ca4.08 Fe11.448 Mg8.16 Mn0.312 O96 Si24 -","8","0.0833333","","Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L.","Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample MP18","Physics and Chemistry of Minerals","1995","22","","159","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006321","11.571","","11.571","","11.571","","90","","90","","90","","1549.22","","","","","","","","","","","","metasedimentary rocks of the Ivrea-Verbano Zone, Italy","8","I a -3 d","-I 4bd 2c 3","230","","","Almandine","- Al1.99 Ca0.51 Fe1.56 Mg0.921 Mn0.039 O12 Si3 Ti0.01 -","- Al1.99 Ca0.51 Fe1.56 Mg0.921 Mn0.039 O12 Si3 Ti0.01 -","- Al15.92 Ca4.08 Fe12.48 Mg7.368 Mn0.312 O96 Si24 Ti0.08 -","8","0.0833333","","Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L.","Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample MP12","Physics and Chemistry of Minerals","1995","22","","159","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006322","11.663","","11.663","","11.663","","90","","90","","90","","1586.47","","","","","","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al1.99 Ca1.389 Fe0.469 Mg1.14 Mn0.009 O12 Si3 -","- Al1.99 Ca1.389 Fe0.469 Mg1.14 Mn0.009 O12 Si3 -","- Al15.92 Ca11.112 Fe3.752 Mg9.12 Mn0.072 O96 Si24 -","8","0.0833333","","Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L.","Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Sample: SBB","Physics and Chemistry of Minerals","1995","22","","159","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006323","11.787","","11.787","","11.787","","90","","90","","90","","1637.61","","","","","","","","","","","","Voltri, Liguria, Italy","8","I a -3 d","-I 4bd 2c 3","230","","","Grossular","- Al1.87 Ca2.139 Fe0.849 Mg0.09 Mn0.039 O12 Si3 Ti0.01 -","- Al1.87 Ca2.139 Fe0.849 Mg0.09 Mn0.039 O12 Si3 Ti0.01 -","- Al14.96 Ca17.112 Fe6.792 Mg0.72 Mn0.312 O96 Si24 Ti0.08 -","8","0.0833333","","Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L.","Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample VOL","Physics and Chemistry of Minerals","1995","22","","159","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006324","11.967","","11.967","","11.967","","90","","90","","90","","1713.78","","","","","","","","","","","","Bric Canizzi, Liguria, Italy","7","I a -3 d","-I 4bd 2c 3","230","","","Grossular","- Al Ca2.889 Fe0.949 Mn0.039 O12 Si3 Ti0.12 -","- Al Ca2.889 Fe0.949 Mn0.039 O12 Si3 Ti0.12 -","- Al8 Ca23.112 Fe7.592 Mn0.312 O96 Si24 Ti0.96 -","8","0.0833333","","Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L.","Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample BRIC","Physics and Chemistry of Minerals","1995","22","","159","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006325","11.871","","11.871","","11.871","","90","","90","","90","","1672.87","","","","","","","","","","","","Val di Fassa, Italy","8","I a -3 d","-I 4bd 2c 3","230","","","Grossular","- Al1.81 Ca2.901 Fe0.22 Mg0.06 Mn0.009 O12 Si3 Ti0.01 -","- Al1.81 Ca2.901 Fe0.22 Mg0.06 Mn0.009 O12 Si3 Ti0.01 -","- Al14.48 Ca23.208 Fe1.76 Mg0.48 Mn0.072 O96 Si24 Ti0.08 -","8","0.0833333","","Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L.","Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample GRO","Physics and Chemistry of Minerals","1995","22","","159","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006326","5.194","","9.013","","20.064","","90","","95.8","","90","","934.458","","","","","","","","50000","","","","","10","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al2.8 Ba0.01 Fe0.08 H2 K0.9 Mg0.04 Na0.07 O12 Si3.04 Ti0.04 -","- Al2.8 Ba0.01 Fe0.08 H2 K0.9 Mg0.04 Na0.07 O12 Si3.04 Ti0.04 -","- Al11.2 Ba0.04 Fe0.32 H8 K3.6 Mg0.16 Na0.28 O48 Si12.16 Ti0.16 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","High-pressure structural study of muscovite Sample: K-Ms, P = 0.05 GPa","Physics and Chemistry of Minerals","1995","22","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006327","5.151","","8.931","","19.399","","90","","95.8","","90","","887.855","","","","","","","","2800000","","","","","10","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al2.8 Ba0.01 Fe0.08 H2 K0.9 Mg0.04 Na0.07 O12 Si3.04 Ti0.04 -","- Al2.8 Ba0.01 Fe0.08 H2 K0.9 Mg0.04 Na0.07 O12 Si3.04 Ti0.04 -","- Al11.2 Ba0.04 Fe0.32 H8 K3.6 Mg0.16 Na0.28 O48 Si12.16 Ti0.16 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","High-pressure structural study of muscovite Sample: K-Ms, P = 2.80 GPa","Physics and Chemistry of Minerals","1995","22","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006328","5.165","","8.964","","19.798","","90","","95.4","","90","","912.561","","","","","","","","100","","","","","9","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al2.8 Fe0.1 H2 K0.6 Mg0.04 Na0.37 O12 Si3.04 Ti0.02 -","- Al2.8 Fe0.1 H2 K0.6 Mg0.04 Na0.37 O12 Si3.04 Ti0.02 -","- Al11.2 Fe0.4 H8 K2.4 Mg0.16 Na1.48 O48 Si12.16 Ti0.08 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","High-pressure structural study of muscovite Sample: Na-Ms, P = 0.0001 GPa, in air","Physics and Chemistry of Minerals","1995","22","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006329","5.13","","8.886","","19.241","","90","","95.5","","90","","873.066","","","","","","","","2700000","","","","","9","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al2.8 Fe0.1 H2 K0.6 Mg0.04 Na0.37 O12 Si3.04 Ti0.02 -","- Al2.8 Fe0.1 H2 K0.6 Mg0.04 Na0.37 O12 Si3.04 Ti0.02 -","- Al11.2 Fe0.4 H8 K2.4 Mg0.16 Na1.48 O48 Si12.16 Ti0.08 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","High-pressure structural study of muscovite Sample: Na-Ms, P = 2.7 GPa","Physics and Chemistry of Minerals","1995","22","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006330","3.14979","","3.14979","","4.7702","","90","","90","","120","","40.986","","","","","","","","100","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite","- H2 Mg O2 -","- H2 Mg O2 -","- H2 Mg O2 -","1","0.0833333","","Catti, M.; Ferraris, G.; Hull, S.; Pavese, A.","Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: a powder neutron diffraction study Sample: at P = 0.0001 GPa","Physics and Chemistry of Minerals","1995","22","","200","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006331","3.0698","","3.0698","","4.429","","90","","90","","120","","36.146","","","","","","","","7800000","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite","- H2 Mg O2 -","- H2 Mg O2 -","- H2 Mg O2 -","1","0.0833333","","Catti, M.; Ferraris, G.; Hull, S.; Pavese, A.","Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: a powder neutron diffraction study Sample: at P = 7.8 GPa","Physics and Chemistry of Minerals","1995","22","","200","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006332","3.0467","","3.0467","","4.3554","","90","","90","","120","","35.012","","","","","","","","10900000","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite","- H2 Mg O2 -","- H2 Mg O2 -","- H2 Mg O2 -","1","0.0833333","","Catti, M.; Ferraris, G.; Hull, S.; Pavese, A.","Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: a powder neutron diffraction study Sample: at P = 10.9 GPa","Physics and Chemistry of Minerals","1995","22","","200","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006333","3.0464","","3.0464","","4.3553","","90","","90","","120","","35.004","","","","","","","","10900000","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite","- H2 Mg O2 -","- H1.99998 Mg O2 -","- H1.99998 Mg O2 -","1","0.0833333","","Catti, M.; Ferraris, G.; Hull, S.; Pavese, A.","Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: a powder neutron diffraction study Sample: at P = 10.9 GPa, split H site","Physics and Chemistry of Minerals","1995","22","","200","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006334","7.46718","","7.46718","","7.46718","","90","","90","","90","","416.361","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ca Fe3 O12 Ti4 -","- Ca Fe3 O12 Ti4 -","- Ca2 Fe6 O24 Ti8 -","2","0.0416667","","Leinenweber, K.; Linton, J.; Navrotsky, A.; Fei, Y.; Parise, J. B.","High-pressure perovskites on the join CaTiO3-FeTiO3","Physics and Chemistry of Minerals","1995","22","","251","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006335","5.12334","","5.12334","","13.7602","","90","","90","","120","","312.796","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Fe O3 Ti -","- Fe O3 Ti -","- Fe6 O18 Ti6 -","6","0.333333","","Leinenweber, K.; Linton, J.; Navrotsky, A.; Fei, Y.; Parise, J. B.","High-pressure perovskites on the join CaTiO3-FeTiO3","Physics and Chemistry of Minerals","1995","22","","251","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006336","5.073","","5.073","","14.013","","90","","90","","120","","312.314","","","","","","","","","","synthesized at 1000 C","synthesized at 1000 C and 17 GPa","","3","P 63 c m","P 6c -2","185","","","Phase-F","- Mg0.78 O3 Si1.06 -","- Mg0.78 O3 Si1.06 -","- Mg4.68 O18 Si6.36 -","6","0.5","","Kudoh, Y.; Nagase, T.; Sasaki, S.; Tanaka, M.; Kanzaki, M.","Phase F, a new hydrous magnesium silicate synthesized at 1000 C and 17 GPa: Crystal structure and estimated bulk modulus Note: The authors withdrew this structure, it is not Phase-F See PCM 24 (1997) 610","Physics and Chemistry of Minerals","1995","22","","295","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006337","18.251","","8.814","","5.181","","90","","90","","90","","833.438","","","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 296 K","Physics and Chemistry of Minerals","1995","22","","300","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006338","18.341","","8.889","","5.219","","90","","90","","90","","850.87","","","","900","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 900 K","Physics and Chemistry of Minerals","1995","22","","300","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006339","18.413","","8.929","","5.246","","90","","90","","90","","862.493","","","","1200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1200 K","Physics and Chemistry of Minerals","1995","22","","300","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006340","18.456","","8.96","","5.27","","90","","90","","90","","871.478","","","","1360","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1360 K","Physics and Chemistry of Minerals","1995","22","","300","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006341","9.306","","8.886","","5.36","","90","","90","","90","","443.235","","","","1360","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Protoenstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Yang, H.; Ghose, S.","High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1360 K","Physics and Chemistry of Minerals","1995","22","","300","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006342","9.315","","8.899","","5.365","","90","","90","","90","","444.727","","","","1400","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Protoenstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Yang, H.; Ghose, S.","High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1400 K","Physics and Chemistry of Minerals","1995","22","","300","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006343","12.784","","12.784","","5.346","","90","","90","","120","","756.647","","","","293","","","","","","","","","8","P 63","P 6c","173","","","Microsommite","- Al3 Ca Cl1.12 K0.99 Na2.01 O13.76 S0.44 Si3 -","- Al3 Ca Cl1.11999 K0.99 Na2.01 O13.76 S0.44 Si3 -","- Al6 Ca2 Cl2.23998 K1.98 Na4.02 O27.52 S0.88 Si6 -","2","0.333333","","Bonaccorsi, E.; Comodi, P.; Merlino, S.","Thermal behaviour of davyne-group minerals Sample: T = 293 K","Physics and Chemistry of Minerals","1995","22","","367","374","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:14",""
"9006344","12.871","","12.871","","5.371","","90","","90","","120","","770.567","","","","943","","","","","","","","","8","P 63/m","-P 6c","176","","","Microsommite","- Al3 Ca Cl1.12 K0.99 Na2.01 O13.5 S0.44 Si3 -","- Al3 Ca Cl1.11999 K0.99 Na2.01 O13.5 S0.44 Si3 -","- Al6 Ca2 Cl2.23998 K1.98 Na4.02 O27 S0.88 Si6 -","2","0.166667","","Bonaccorsi, E.; Comodi, P.; Merlino, S.","Thermal behaviour of davyne-group minerals Sample: T = 943 K","Physics and Chemistry of Minerals","1995","22","","367","374","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:14",""
"9006345","8.922","","4.849","","11.567","","90","","102.64","","90","","488.292","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Na2 O7 Si3 -","- Na2 O7 Si3 -","- Na8 O28 Si12 -","4","0.5","","Fleet, M. E.; Henderson, G. S.","Soidium trisilicate: A new high-pressure silicate structure (Na2Si[Si2O7])","Physics and Chemistry of Minerals","1995","22","","383","386","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006346","8.58804","","13.00492","","7.19238","","90","","116.026","","90","","721.836","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Tseng, H.-Y.; Heaney, P. J.; Onstott, T. C.","Characterization of lattice strain induced by neutron irradiation Sample: Unirradiated","Physics and Chemistry of Minerals","1995","22","","399","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9006347","8.59122","","13.00089","","7.19192","","90","","116.009","","90","","721.938","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Tseng, H.-Y.; Heaney, P. J.; Onstott, T. C.","Characterization of lattice strain induced by neutron irradiation Sample: neutron dose = 6.3*10^18 n/cm2","Physics and Chemistry of Minerals","1995","22","","399","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9006348","8.59046","","12.99323","","7.18763","","90","","115.99","","90","","721.135","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Tseng, H.-Y.; Heaney, P. J.; Onstott, T. C.","Characterization of lattice strain induced by neutron irradiation Sample: neutron dose = 1.26*10^19 n/cm2","Physics and Chemistry of Minerals","1995","22","","399","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007689","4.988","","4.988","","17.068","","90","","90","","120","","367.761","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.","Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3","Acta Crystallographica, Section B","1995","51","6","929","939","10.1107/S0108768195006434","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007690","4.772","","4.772","","15.637","","90","","90","","120","","308.379","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Rhodochrosite","- C Mn O3 -","- C Mn O3 -","- C6 Mn6 O18 -","6","0.166667","","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.","Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3 Sample: Synchrotron data","Acta Crystallographica, Section B","1995","51","6","929","939","10.1107/S0108768195006434","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007692","4.632","","4.632","","15.002","","90","","90","","120","","278.751","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Magnesite","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.","Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3","Acta Crystallographica, Section B","1995","51","6","929","939","10.1107/S0108768195006434","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9009387","16.277","","17.045","","6.434","","90","","90","","90.08","","1785.06","","","","548","","","","","","","","Salesl, Czech Republic","4","C 1 2 1 (a+2*c,a,b)","C 2y (1/2*z,x-1/2*z,y)","5","","","Metanatrolite","- Al1.817 Na1.67 O10 Si2.691 -","- Al1.817 Na1.67 O10 Si2.691 -","- Al14.536 Na13.36 O80 Si21.528 -","8","","","Joswig, W.; Baur, W. H.","The extreme collapse of a framework of NAT topology: the crystal structure of a metanatrolite (dehydrated natrolite) at 548 K Sample: T = 548 K","Neues Jahrbuch fur Mineralogie, Monatshefte","1995","1995","","26","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009388","21.42","","5.078","","13.3","","90","","94.8","","90","","1441.58","","","","","","","","","","","","Bayan Obo REE-Nb-Fe deposit, Inner Mongolia, China","5","C 1 2/m 1","-C 2y","12","","","Cebaite-(Ce)","- C5 Ba3 Ce2 F2 O15 -","- C5 Ba3 Ce2 F2 O15 -","- C20 Ba12 Ce8 F8 O60 -","4","0.5","","Yang, Z.","Structure redetermination of natural cebaite-(Ce), Ba3Ce2(CO3)5F2","Neues Jahrbuch fur Mineralogie, Monatshefte","1995","1995","","56","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009389","6.667","","8.781","","7.134","","90","","114.5","","90","","380.041","","","","","","","","","","","","Squaw Creek, Catron County, New Mexico, USA","10","C 1 2/c 1","-C 2yc","15","","","Maxwellite","- Al0.233 As Ca0.37 F0.74 Fe0.402 H0.26 Mg0.226 Na0.54 O4.26 Ti0.14 -","- Al0.233 As Ca0.37 F0.74 Fe0.402 H0.26 Mg0.226 Na0.54 O4.26 Ti0.14 -","- Al0.932 As4 Ca1.48 F2.96 Fe1.608 H1.04 Mg0.904 Na2.16 O17.04 Ti0.56 -","4","0.5","","Cooper, M. A.; Hawthorne, F. C.","The crystal structure of maxwellite","Neues Jahrbuch fur Mineralogie, Monatshefte","1995","1995","","97","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009390","16.604","","7.586","","12.274","","90","","90","","90","","1546.01","","","","","","","","","","","","Monte Tamara Mine, Sardinia, Italy","5","C c c m","-C 2 2c","66","","","Carminite","- As2 Fe2 H2 O10 Pb -","- As2 Fe2 H2 O10 Pb -","- As16 Fe16 H16 O80 Pb8 -","8","0.5","","Olmi, F.; Sabelli, C.","Carminite from three localities of Sardinia (Italy). Crystal structure refinements Sample A Locality: Monte Tamara Mine, Sardinia, Italy","Neues Jahrbuch fur Mineralogie, Monatshefte","1995","1995","","553","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009391","16.617","","7.585","","12.272","","90","","90","","90","","1546.76","","","","","","","","","","","","Su Zufuru Mine, Sardinia, Italy","5","C c c m","-C 2 2c","66","","","Carminite","- As2 Fe2 H2 O10 Pb -","- As2 Fe2 H2 O10 Pb -","- As16 Fe16 H16 O80 Pb8 -","8","0.5","","Olmi, F.; Sabelli, C.","Carminite from three localities of Sardinia (Italy). Crystal structure refinements Sample B Locality: Su Zufuru Mine, Sardinia, Italy","Neues Jahrbuch fur Mineralogie, Monatshefte","1995","1995","","553","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009392","16.602","","7.586","","12.268","","90","","90","","90","","1545.07","","","","","","","","","","","","Pira Inferida Mine, Sardinia, Italy","5","C c c m","-C 2 2c","66","","","Carminite","- As2 Fe2 H2 O10 Pb -","- As2 Fe2 H2 O10 Pb -","- As16 Fe16 H16 O80 Pb8 -","8","0.5","","Olmi, F.; Sabelli, C.","Carminite from three localities of Sardinia (Italy). Crystal structure refinements Sample C Locality: Pira Inferida Mine, Sardinia, Italy","Neues Jahrbuch fur Mineralogie, Monatshefte","1995","1995","","553","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009497","6.87","","6.87","","13.342","","90","","90","","90","","629.701","","","","","","","","","","","","Tolbachik Main Fracture Eruption, Kamchatka, Russia","7","I 4/m","-I 4","87","","","Vlodavetsite","- Al Ca2 Cl F2 H8 O12 S2 -","- Al Ca2 Cl F2 H8 O12 S2 -","- Al2 Ca4 Cl2 F4 H16 O24 S4 -","2","0.125","","Starova, G. L.; Filatov, S. K.; Matusevich, G. L.; Fundamensky, V. S.","The crystal structure of vlodavetsite, AlCa2(SO4)2F2Cl*4H2O","Mineralogical Magazine","1995","59","","159","162","10.1180/minmag.1995.59.394.16","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009498","17.84","","8.38","","4.445","","90","","102.04","","90","","649.906","","","","","","","","","","","","Yakutskaya, Russia","6","C 1 2/m 1","-C 2y","12","","","Borcarite","- C2 H6 B4 Ca4 Mg O18 -","- C2 H6 B4 Ca4 Mg O18 -","- C4 H12 B8 Ca8 Mg2 O36 -","2","0.25","","Burns, P. C.; Hawthorne, F. C.","Hydrogen bonding in borcarite, an unusual borate-carbonate mineral","Mineralogical Magazine","1995","59","","297","304","10.1180/minmag.1995.059.395.13","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9009499","11.393","","11.393","","4.024","","90","","90","","120","","452.34","","","","","","","","","","","","Etruscan iron slag, Baratti beach, Piombiono, Tuscany, Italy","4","P -6","P -6","174","","","Penfieldite","- Cl3 H O Pb2 -","- Cl3 H O Pb2 -","- Cl9 H3 O3 Pb6 -","3","0.5","","Merlino, S.; Pasero, M.; Perchiazzi, N.; Gianfagna, A.","X-ray and electron diffraction study of penfieldite: average structure and multiple cells","Mineralogical Magazine","1995","59","","341","347","10.1180/minmag.1995.059.395.17","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009765","12.3668","","5.118","","5.567","","90","","107.838","","90","","335.415","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Bi O2 -","- Bi O2 -","- Bi8 O16 -","8","1","","Kumada, N.; Kinomura, N.; Woodward, P. M.; Sleight, A. W.","Crystal structure of Bi2O4 with beta-Sb2O4-type structure","Journal of Solid State Chemistry","1995","116","","281","285","10.1006/jssc.1995.1214","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009801","8.163","","13.04","","8.386","","90","","112.78","","90","","823.024","","","","","","","","","","","","Synthetic","1","P 1 2/n 1","-P 2yac","13","Sulfur-(gamma)","","Rosickyite","- S8 -","- S8 -","- S32 -","4","1","","Krauter, T.; Neumuller, B.","Reaktionen von diorganogallium(indium)fluoriden. Die kristallstrukture von Mes2InF Note: known as gamma sulfur","Zeitschrift fur Anorganische und Allgemeine Chemie","1995","621","","597","606","10.1002/zaac.19956210417","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009857","13.807","","13.807","","9.792","","90","","90","","120","","1616.59","","","","","","","","","","","","San Giorgio perlena, Fara Vincentina, Vicenza, Italy","5","P 63/m m c","-P 6c 2c","194","","","Gmelinite-Ca","- Al1.821 Ca1.25 H14 O17.94 Si4.179 -","- Al1.821 Ca0.89 H4.68 O14.34 Si4.179 -","- Al7.284 Ca3.56 H18.72 O57.36 Si16.716 -","4","0.166667","","Sacerdoti, M.; Passaglia, E.; Carnevali, R.","Structural refinements of Na-, K-, and Ca-exchanged gmelinites Note: sample 3Ca","Zeolites","1995","15","","276","281","10.1016/0144-2449(94)00024-M","","","","","","","","","","","","","","","","","","","","","has coordinates","285096","2023-07-08","08:53:35",""
"9009858","13.766","","13.766","","10.076","","90","","90","","120","","1653.61","","","","","","","","","","","","Montecchio Maggiore, Vicenza, Italy","5","P 63/m m c","-P 6c 2c","194","","","Gmelinite-Na","- Al0.642 H6 Na0.9 O5.54 Si1.358 -","- Al0.6422 H2.4 Na0.673333 O5.2 Si1.3578 -","- Al7.7064 H28.8 Na8.08 O62.4 Si16.2936 -","12","0.5","","Sacerdoti, M.; Passaglia, E.; Carnevali, R.","Structural refinements of Na-, K-, and Ca-exchanged gmelinites Note: sample 1Na","Zeolites","1995","15","","276","281","10.1016/0144-2449(94)00024-M","","","","","","","","","","","","","","","","","","","","","has coordinates","285096","2023-07-08","08:53:35",""
"9009859","13.687","","13.687","","10.256","","90","","90","","120","","1663.89","","","","","","","","","","","","Queensland, Australia","5","P 63/m m c","-P 6c 2c","194","","","Gmelinite-K","- Al1.84 H28 K2.86 O16.72 Si4.16 -","- Al1.8402 H6.42 K1.93 O15.21 Si4.1598 -","- Al7.3608 H25.68 K7.72 O60.84 Si16.6392 -","4","0.166667","","Sacerdoti, M.; Passaglia, E.; Carnevali, R.","Structural refinements of Na-, K-, and Ca-exchanged gmelinites Note: sample 2K","Zeolites","1995","15","","276","281","10.1016/0144-2449(94)00024-M","","","","","","","","","","","","","","","","","","","","","has coordinates","285096","2023-07-08","08:53:35",""
"9011379","13.452","","9.631","","7.003","","90","","90","","90","","907.282","","","","15","","","","100","","","","Synthetic","5","P n m a","-P 2ac 2n","62","","","Erythrosiderite","- Cl5 Fe H2 K2 O -","- Cl5 Fe H2 K2 O -","- Cl20 Fe4 H8 K8 O4 -","4","0.5","","Schultz, A. J.; Carlin, R. L.","Single-crystal pulsed neutron diffraction structure of the antiferromagnet K2[FeCl5(H2O)] with and without applied pressure Sample: P = .1 MPa Sample: T = 15 K","Acta Crystallographica, Section B","1995","51","1","43","47","10.1107/S0108768194008438","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011380","13.391","","9.648","","6.942","","90","","90","","90","","896.881","","","","15","","","","140000","","","","Synthetic","5","P n m a","-P 2ac 2n","62","","","Erythrosiderite","- Cl5 Fe H2 K2 O -","- Cl5 Fe H2 K2 O -","- Cl20 Fe4 H8 K8 O4 -","4","0.5","","Schultz, A. J.; Carlin, R. L.","Single-crystal pulsed neutron diffraction structure of the antiferromagnet K2[FeCl5(H2O)] with and without applied pressure Sample: P = .14 GPa Sample: T = 15 K","Acta Crystallographica, Section B","1995","51","1","43","47","10.1107/S0108768194008438","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011381","9.5394","","8.5756","","5.2508","","90","","110.124","","90","","403.324","","","","273","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga Li O6 Si2 -","- Ga Li O6 Si2 -","- Ga4 Li4 O24 Si8 -","4","1","","Sato, A.; Osawa, T.; Ohashi, H.","Low-temperature form of LiGaSi2O6 Sample: T = 273 K Note: anisoU's from ICSD","Acta Crystallographica, Section C","1995","51","","1959","1960","10.1107/S0108270195004732","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011506","3.581","","3.582","","3.587","","90","","90.04","","90","","46.011","","","","","","","","","","","","Saint Severin meteorite, Charente, France","2","P 1 m 1","P -2y","6","","","Tetrataenite","- Fe0.507 Ni0.493 -","- Fe2.03 Ni1.97 -","- Fe2.03 Ni1.97 -","","","","Tagai, T.; Takeda, H.","Superstructure of tetrataenite from the Saint Severin meteorite","Zeitschrift fur Kristallographie","1995","210","","14","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:29",""
"9011507","5.578","","2.881","","5.886","","90","","104","","90","","91.78","","","","","","","","","","","","Synthetic","3","C 1 2/m 1","-C 2y","12","","","Crednerite","- Cu1.04 Mn0.96 O2 -","- Cu2.08 Mn1.92 O4 -","- Cu2.08 Mn1.92 O4 -","","","","Topfer, J.; Trari, M.; Gravereau, P.; Chaminade, J. P.; Doumerc, J. P.","Crystal growth and reinvestigation of the crystal structure of crednerite, CuMnO2 Locality: synthetic","Zeitschrift fur Kristallographie","1995","210","","184","187","10.1524/zkri.1995.210.3.184","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:29",""
"9011731","12.296","","11.313","","6.114","","90","","104.21","","90","","824.463","","","","","","","","","","","","Crven Dol, Allchar, Republic of Macedonia","3","P 1 21/a 1","-P 2yab","14","","","Lorandite","- As S2 Tl -","- As8 S16 Tl8 -","- As8 S16 Tl8 -","","","","Balic-Zunic T; Makovicky, E.; Moelo, Y.","Contributions to the crystal chemistry of thallium sulphosalts III. The crystal structure of lorandite (TlAsS2) and its relation to weissbergite (TlSbS2)","Neues Jahrbuch fur Mineralogie, Abhandlungen","1995","168","","213","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:57",""
"9011751","5.314","","14.691","","7.031","","90","","90","","90","","548.896","","","","","","","","","","","","Gambatesa mine, eastern Liguria, Italy","5","C m c m","-C 2c 2","63","","","Haradaite","- Ba0.14 O7 Si2 Sr0.86 V -","- Ba0.56 O28 Si8 Sr3.44 V4 -","- Ba0.56 O28 Si8 Sr3.44 V4 -","","","","Basso, R.; Lucchetti, G.; Palenzona, A.; Zefiro, L.","Haradaite from the Gambatesa mine, eastern Liguria, Italy","Neues Jahrbuch fur Mineralogie, Monatshefte","1995","1995","","281","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:58",""
"9011778","24.73","","5.056","","5.76","","90","","103.5","","90","","700.302","","","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","Koragoite","- Fe0.1 Mn3.16 Nb3.6 O20 Ta0.652 Ti0.09 W1.807 -","- Fe0.2 Mn6.32 Nb7.2 O40 Ta1.304 Ti0.18 W3.614 -","- Fe0.2 Mn6.32 Nb7.2 O40 Ta1.304 Ti0.18 W3.614 -","","","","Yamnova, N. A.; Pushcharovskii D Yu; Voloshin, A. V.","Crystal structure of a new natural Mn, W-tantaloniobate","Kristallografiya","1995","40","","469","475","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9011800","3.6735","","3.6735","","5.0328","","90","","90","","90","","67.916","","","","","","","","","","","","Synthetic","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","Mackinawite","- Fe S -","- Fe2 S2 -","- Fe2 S2 -","","","","Lennie, A. R.; Redfern, S. A. T.; Schofield, P. F.; Vaughan, D. J.","Synthesis and Rietveld crystal structure refinement of mackinawite, tetragonal FeS Locality: synthetic","Mineralogical Magazine","1995","59","","677","683","10.1180/minmag.1995.059.397.10","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:00",""
"9012066","4.212","","4.212","","22.942","","90","","90","","120","","352.483","","","","","","","","","","","","Synthetic","2","P -3 m 1","-P 3 2""","164","","","Nevskite","- Bi0.755 Se0.745 -","- Bi6.04 Se5.96 -","- Bi6.04 Se5.96 -","","","","Gaudin, E.; Jobic, S.; Evain, M.; Brec, R.; Rouxel, J.","Charge balance in some BixSey phases through atomic structure determination and band structure calculations","Materials Research Bulletin","1995","30","","549","561","10.1016/0025-5408(95)00030-5","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:40",""
"9012203","6.1153","","10.469","","4.9195","","90","","90","","90","","314.952","","","","","","","","","","","","Synthetic","4","P m n b","-P 2bc 2a","62","","","Lithiophosphate","- Li2.88 N0.14 O3.73 P -","- Li11.52 N0.56 O14.92 P4 -","- Li11.52 N0.56 O14.92 P4 -","","","","Wang, B.; Chakoumakos, B. C.; Sales, B. C.; Kwak, B. S.; Bates, J. B.","Synthesis, crystal structure, and ionic conductivity of a polycrystalline lithium phosphorus oxynitride with the gamma-Li3PO4 structure Note: reported bond lengths inconsistent with reported structure","Journal of Solid State Chemistry","1995","115","","313","323","10.1006/jssc.1995.1140","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:41",""
"9012204","6.1113","","10.4612","","4.9208","","90","","90","","90","","314.594","","","","","","","","","","","","Synthetic","3","P m n b","-P 2bc 2a","62","","","Lithiophosphate","- Li3 O4 P -","- Li12 O16 P4 -","- Li12 O16 P4 -","","","","Wang, B.; Chakoumakos, B. C.; Sales, B. C.; Kwak, B. S.; Bates, J. B.","Synthesis, crystal structure, and ionic conductivity of a polycrystalline lithium phosphorus oxynitride with the gamma-Li3PO4 structure","Journal of Solid State Chemistry","1995","115","","313","323","10.1006/jssc.1995.1140","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:41",""
"9012205","7.3603","","10.1766","","10.4514","","90","","90.875","","90","","782.748","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","Baghdadite","- Ca3 O9 Si2 Zr -","- Ca12 O36 Si8 Zr4 -","- Ca12 O36 Si8 Zr4 -","","","","Plaisier, J. R.; Jansen, J.; de Graaff, R. A. G.; Ijdo, D. J. W.","Structure determination of Ca3HfSi2O9 and Ca3ZrSi2O9 from powder diffraction","Journal of Solid State Chemistry","1995","115","","464","468","10.1006/jssc.1995.1160","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:41",""
"9012206","7.3517","","10.1489","","10.4319","","90","","91.084","","90","","778.202","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca3 Hf O9 Si2 -","- Ca12 Hf4 O36 Si8 -","- Ca12 Hf4 O36 Si8 -","","","","Plaisier, J. R.; Jansen, J.; de Graaff, R. A. G.; Ijdo, D. J. W.","Structure determination of Ca3HfSi2O9 and Ca3ZrSi2O9 from powder diffraction","Journal of Solid State Chemistry","1995","115","","464","468","10.1006/jssc.1995.1160","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:41",""
"9012207","12.0777","","6.9723","","6.304","","90","","90","","90","","530.856","","","","","","","","","","","","Maurienne, France","3","C 2 2 2","C 2 2","21","","","Anhydrite","- Ca O4 S -","- Ca6 O24 S6 -","- Ca6 O24 S6 -","","","","Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S.","Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods","Journal of Solid State Chemistry","1995","117","","165","176","10.1006/jssc.1995.1260","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:43",""
"9012208","12.0317","","6.9272","","12.6711","","90","","90.27","","90","","1056.07","","","","","","","","","","","","","4","I 1 2 1","I 2y","5","","","Bassanite","- Ca H O4.5 S -","- Ca O4.5 S -","- Ca12 O54 S12 -","12","3","","Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S.","Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Locality: Maurienne, France Sample: SH1, X-ray diffraction","Journal of Solid State Chemistry","1995","117","","165","176","10.1006/jssc.1995.1260","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"9012209","12.0317","","6.9269","","12.6712","","90","","90.27","","90","","1056.04","","","","","","","","","","","","","4","I 1 2 1","I 2y","5","","","Bassanite","- Ca H O4.5 S -","- Ca H O4.5 S -","- Ca12 H12 O54 S12 -","12","3","","Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S.","Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Locality: Maurienne, France Sample: SH1, neutron Diffraction","Journal of Solid State Chemistry","1995","117","","165","176","10.1006/jssc.1995.1260","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"9012210","11.9845","","6.9292","","12.7505","","90","","90","","90","","1058.84","","","","","","","","","","","","","4","I 1 2 1","I 2y","5","","","Bassanite","- Ca H1.33333 O4.6 S -","- Ca O4.6 S -","- Ca12 O55.2 S12 -","12","3","","Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S.","Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Locality: Maurienne, France Sample: SH2, X-ray diffraction","Journal of Solid State Chemistry","1995","117","","165","176","10.1006/jssc.1995.1260","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"9012211","11.9845","","6.9292","","12.7505","","90","","90","","90","","1058.84","","","","","","","","","","","","","4","I 1 2 1","I 2y","5","","","Bassanite","- Ca H1.2 O4.6 S -","- Ca H1.2 O4.6 S -","- Ca12 H14.4 O55.2 S12 -","12","3","","Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S.","Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Locality: Maurienne, France Sample: SH2, neutron Diffraction","Journal of Solid State Chemistry","1995","117","","165","176","10.1006/jssc.1995.1260","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"9012212","8.842","","10.187","","10.327","","90","","90","","90","","930.189","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H4 In O6 P -","- H32 In8 O48 P8 -","- H32 In8 O48 P8 -","","","","Xu, Y.; Koh, L. L.; An, L. H.; Xu, R. R.; Qiu, S. L.","A comparative study of a novel microporous indiumphosphate and other M(III)X(V)O4-type microporous materials","Journal of Solid State Chemistry","1995","117","","373","378","10.1006/jssc.1995.1287","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:43",""
"9012524","5.7173","","8.8312","","4.8774","","90","","90","","90","","246.263","","","","1.6","","","","","","","","","5","P m n 21","P 2ac -2","31","","","Niahite (deuterated)","- D6 Mn N O5 P -","- D12 Mn2 N2 O10 P2 -","- D12 Mn2 N2 O10 P2 -","","","","Carling, S. G.; Day, P.; Visser, D.","Crystal and magnetic structures of layer transition metal phosphate hydrates Locality: synthetic Sample: T = 1.6 K Note: atomic positions from ICSD","Inorganic Chemistry","1995","34","","3917","3927","10.1021/ic00119a013","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9012525","5.7142","","8.8255","","4.8762","","90","","90","","90","","245.91","","","","21.4","","","","","","","","","5","P m n 21","P 2ac -2","31","","","Niahite (deuterated)","- D6 Mn N O5 P -","- D12 Mn2 N2 O10 P2 -","- D12 Mn2 N2 O10 P2 -","","","","Carling, S. G.; Day, P.; Visser, D.","Crystal and magnetic structures of layer transition metal phosphate hydrates Locality: synthetic Sample: T = 21.4 K Note: atomic positions from ICSD","Inorganic Chemistry","1995","34","","3917","3927","10.1021/ic00119a013","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9012526","5.7302","","8.8191","","4.9087","","90","","90","","90","","248.062","","","","295","","","","","","","","","5","P m n 21","P 2ac -2","31","","","Niahite (deuterated)","- D6 Mn N O5 P -","- D12 Mn2 N2 O10 P2 -","- D12 Mn2 N2 O10 P2 -","","","","Carling, S. G.; Day, P.; Visser, D.","Crystal and magnetic structures of layer transition metal phosphate hydrates Locality: synthetic Sample: T = 295 K Note: atomic positions from ICSD","Inorganic Chemistry","1995","34","","3917","3927","10.1021/ic00119a013","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9012624","9.911","","18.03","","5.279","","90","","104.94","","90","","911.445","","","","","","","","","","","","Khibini alkali massif, Yum'erchorr mountain, Kola Peninsula, Russia","12","C 1 2/m 1","-C 2y","12","","","Fluoro-edenite","- Al1.06 Ca1.65 F2 Fe0.85 K0.33 Mg3.74 Mn0.04 Na1.22 O22 Si6.94 Sr0.01 Ti0.16 -","- Al1.06 Ca1.65 F2 Fe0.85 K0.33 Mg3.74 Mn0.04 Na1.22 O22 Si6.94 Sr0.01 Ti0.16 -","- Al2.12 Ca3.3 F4 Fe1.7 K0.66 Mg7.48 Mn0.08 Na2.44 O44 Si13.88 Sr0.02 Ti0.32 -","2","0.25","","Rastsvetaeva, R. K.; Pushcharovsky, D. Y.; Borutskii, B. E.","Crystal structure of K,F-edenite from Khibini Locality: Khibini alkali massif, Yum'erchorr mountain, Kola Peninsula, Russia","Crystallography Reports","1995","40","","27","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9012625","19.744","","7.099","","5.409","","90","","96.77","","90","","752.854","","","","","","","","","","","","Khibiny Massif","10","C 1 2/m 1","-C 2y","12","","","Barytolamprophyllite","- Ba0.9 Fe0.6 H2 Mg0.3 Mn0.2 Na2.8 O18 Si4 Sr1.1 Ti2.1 -","- Ba0.9 Fe0.6 H2 Mg0.3 Mn0.2 Na2.8 O18 Si4 Sr1.1 Ti2.1 -","- Ba1.8 Fe1.2 H4 Mg0.6 Mn0.4 Na5.6 O36 Si8 Sr2.2 Ti4.2 -","2","0.25","","Rastsvetaeva, R. K.; Dorfman, M. D.","Crystal structure of Ba-lamprophyllite in the isomorphous lamprophyllite- baritolamprophyllite series","Crystallography Reports","1995","40","","951","954","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012743","14.243","","13.045","","33.4839","","90","","90","","90","","6221.31","","","","","","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","Odintsovite","- Be4 Ca3 K2 Li0.25 Na3.75 O38 Si12 Ti2 -","- Be32 Ca24 K16 Li2 Na30 O304 Si96 Ti16 -","- Be32 Ca24 K16 Li2 Na30 O304 Si96 Ti16 -","","","","Rastsvetaeva, R. K.; Evsyunin, V. G.; Kashaev, A. A.","Crystal structure of a new representative of ring silicates","Doklady Chemistry","1995","340","","49","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:12",""
"9012868","3.287","","10.718","","12.866","","90","","94.75","","90","","451.713","","","","","","","","","","","","Nchwaning II Mine, Kalahari Manganese Field, South Africa","5","P 1 21/c 1","-P 2ybc","14","","","Sussexite","- B H Mg0.094 Mn0.906 O3 -","- B8 H8 Mg0.752 Mn7.248 O24 -","- B8 H8 Mg0.752 Mn7.248 O24 -","","","","Hoffmann, C.; Armbruster, T.","Crystal structure of a (001) twinned sussexite Mn2B2O4(OH)2 from the Kalahari Manganese Field South Africa Locality: Nchwaning II Mine, Kalahari Manganese Field, South Africa","Schweizerische Mineralogische und Petrographische Mitteilungen","1995","75","","123","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:34",""
"9012869","9.865","","9.865","","10.938","","90","","90","","90","","1064.47","","","","","","","","","","","","Lengenbach, Binntal, Ct. Valais, Switzerland","7","I -4 2 m","I -4 2","121","","","Stalderite","- As2 Cu Fe0.46 Hg0.38 S6 Tl Zn1.16 -","- As8 Cu4 Fe1.84 Hg1.52 S24 Tl4 Zn4.64 -","- As8 Cu4 Fe1.84 Hg1.52 S24 Tl4 Zn4.64 -","","","","Graeser, S.; Schwander, H.; Wulf, R.; Edenharter, A.","Stalderite TlCu(Zn,Fe,Hg)2As2S6 - a new mineral related to routhierite: description and crystal structure determination","Schweizerische Mineralogische und Petrographische Mitteilungen","1995","75","","337","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:34",""
"9013139","7.765","","7.765","","5.6275","","90","","90","","120","","293.852","","","","","","","","","","","","Synthetic","2","P 3 1 c","P 3 -2c","159","","","Nierite","- N4 Si3 -","- N16 Si12 -","- N16 Si12 -","","","","Yang, P.; Fun, H.-K.; Rahman, I. A.; Saleh, M. I.","Two phase refinements of the structures of a-Si3N4 and B-Si3N4 made from rice husk by Rietveld analysis Locality: synthetic Sample: Alpha phase Note: changed N4 location to match reported bond distances","Ceramics International","1995","21","","137","142","10.1016/0272-8842(95)95885-L","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:29",""
"9013140","7.6093","","7.6093","","2.9079","","90","","90","","120","","145.814","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","","","- N4 Si3 -","- N8 Si6 -","- N8 Si6 -","","","","Yang, P.; Fun, H.-K.; Rahman, I. A.; Saleh, M. I.","Two phase refinements of the structures of a-Si3N4 and B-Si3N4 made from rice husk by Rietveld analysis Sample: Beta phase","Ceramics International","1995","21","","137","142","10.1016/0272-8842(95)95885-L","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:29",""
"9013421","4.064","","4.064","","6.643","","90","","90","","120","","95.017","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Mn0.29 Se Zn0.71 -","- Mn0.58 Se2 Zn1.42 -","- Mn0.58 Se2 Zn1.42 -","","","","Yeh, C.; Lu, Z. W.; Froyen, S.; Zunger, A.","High-pressure phase transitions in Zn1-xMnxSe: A Raman scattering and photoluminescence study Note: wurtzite structure Note: synthetic","Physical Review B","1995","52","","11052","11058","10.1103/PhysRevB.52.11052","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013957","3.792","","3.792","","3.792","","90","","90","","90","","54.526","","","","","","","","","","","","Placer deposits off the Luanhe River, China","8","P m -3 m","-P 4 2 3","221","","","Chengdeite","- Co0.005 Cu0.08 Fe0.91 Ir2.913 Ni0.005 Os0.003 Pt0.072 Rh0.012 -","- Co0.005 Cu0.08 Fe0.91 Ir2.913 Ni0.005 Os0.003 Pt0.072 Rh0.012 -","- Co0.005 Cu0.08 Fe0.91 Ir2.913 Ni0.005 Os0.003 Pt0.072 Rh0.012 -","","","","Zuxiang, Y.","Chengdeite - ordered natural iron-iridium alloy","Acta Geologica Sinica","1995","69","","215","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:32:12",""
"9014025","5.44505","","5.44503","","12.0495","","90","","90","","90","","357.249","","","","","","","","","","","","Yaogangxian, Hunan Province, China","3","I 41/a :1","I 4bw -1bw","88","","","Stolzite","- O4 Pb W -","- O16 Pb4 W4 -","- O16 Pb4 W4 -","","","","Xu, K.; Xue, J.; Ding, Y.; Lu, G.","Discovery of stolzite in China and refinement of its crystal structure","Acta Geologica Sinica","1995","8","","111","116","10.1111/j.1755-6724.1995.mp8001009.x","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015437","5.717","","5.717","","13.8","","90","","90","","120","","390.612","","","","","","","","","","","","Eastern Siberia, Irkutsk, Russia","6","P -3 m 1","-P 3 2""","164","","","Ferronigerite-2N1S","- Al8.435 Fe0.83 H O15 Sn Zn0.36 -","- Al10.87 Fe1.66 H2 O24 Sn2 Zn0.72 -","- Al10.87 Fe1.66 H2 O24 Sn2 Zn0.72 -","","","","Arakcheeva, A. V.; Pushcharovskii, D. Y.; Rastsvetaeva, R. K.; Kashaev, A. A.; Nadezhina, T. N.","Crystal structure of nigerite-6H","Kristallografiya","1995","40","","639","644","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015588","6.064","","11.012","","5.49","","102.68","","92.43","","92.06","","356.956","","","","","","","","","","","","Synthetic","4","P -1","-P 1","2","","","Kobyashevite","- Cu5 H14 O18 S2 -","- Cu5 O18 S2 -","- Cu5 O18 S2 -","1","0.5","","Strandberg, H.; Langer, V.; Johansson, L. G.","Structure of Cu2.5(OH)3SO4*2H2O: a novel corrosion product of copper","Acta Chemica Scandinavica","1995","49","","5","10","10.3891/acta.chem.scand.49-0005","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015819","15.189","","15.189","","10.111","","90","","90","","90","","2332.67","","","","","","","","","","","","Zelenets mine of the South Ural massif's Kusa titanium-","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 -","","","","Rastsvetaeva, R. K.; Pushcharovskii, D. Y.; Spiridonov, E. M.; Gekimyants, V. M.","Crystal structure of ordered calzirtite Ca2Zr5Ti2O16 magnetite deposit, Russia","Crystallography Reports","1995","40","","746","748","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016495","11.1098","","6.3894","","4.8281","","90","","90","","90","","342.722","","","","","","","","","","","","Crestmore, California, USA","5","P n m a","-P 2ac 2n","62","","","Monticellite","- Ca Fe0.12 Mg0.88 O4 Si -","- Ca4 Fe0.48 Mg3.52 O16 Si4 -","- Ca4 Fe0.48 Mg3.52 O16 Si4 -","","","","Pilati, T.; Demartin, F.; Gramaccioli, C. M.","Thermal parameters for minerals of the olivine group: their implication on vibrational spectra, thermodynamic functions and transferable force fields","Acta Crystallographica, Section B","1995","51","5","721","733","10.1107/S0108768194014382","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016692","12.521","","12.521","","12.521","","90","","90","","90","","1962.98","","","","","","","","","","","","Synthetic","5","I a -3 d","-I 4bd 2c 3","230","","","","- Ca2 Fe4 O12 Sb Y -","- Ca16.0001 Fe32 O96 Sb8 Y7.99992 -","- Ca16.0001 Fe32 O96 Sb8 Y7.99992 -","","","","Berry, F. J.; Davalos, J.; Greaves, C.; Marco, J. F.; Slaski, M.; Slater, P. R.; Vithal, M.","Magnetic ordering in the garnet YCa2SbFe4O12 T = 10 K","Journal of Solid State Chemistry","1995","115","","435","440","10.1006/jssc.1995.1156","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016767","12.672","","7.217","","5.341","","90","","90","","90","","488.455","","","","","","","","","","","","N'chwaning mine, South Africa","8","P c a 21","P 2c -2ac","29","","","Nchwaningite","- Al0.012 Ca0.008 Fe0.008 H4 Mg0.106 Mn1.85 O6 Si -","- Al0.048 Ca0.032 Fe0.032 H16 Mg0.424 Mn7.4 O24 Si4 -","- Al0.048 Ca0.032 Fe0.032 H16 Mg0.424 Mn7.4 O24 Si4 -","","","","Nyfeler, D.; Armbruster, T.; Dixon, R.; Bermanec, V.","Nchwaningite, Mn2SiO3(OH)2.H2O, a new pyroxene-related chain silicate from the N'chwaning mine, Kalahari manganese field, South Africa","American Mineralogist","1995","80","","377","386","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:21:00",""
"9017154","6.6733","","6.6733","","9.185","","90","","90","","120","","354.235","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","Claringbullite","- Cl1.29 Cu3.99 H6.71 O6.71 -","- Cl1.29 Cu3.99 H6.71 O6.71 -","- Cl2.58 Cu7.98 H13.42 O13.42 -","2","0.0833333","","Burns, P. C.; Cooper, M. A.; Hawthorne, F. C.","Claringbullite: A Cu oxysalt with Cu in trigonal-prismatic coordination","The Canadian Mineralogist","1995","33","","633","639","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017477","8.253","","6.4122","","13.789","","90","","90","","90","","729.712","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","Kozyrevskite","- As2 Cu4 O9 -","- As8 Cu16 O36 -","- As8 Cu16 O36 -","","","","Adams, R. D.; Layland, R.; Payen, C.","Cu4(AsO4)2(O): A new copper arsenate with unusual low temperature magnetic properties","Inorganic Chemistry","1995","34","","5397","5398","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:01",""
"9017489","8.3474","","8.3474","","8.3474","","90","","90","","90","","581.639","","","","","","","","","","","","Synthetic","2","P 43 3 2","P 4acd 2ab 3","212","","","Maghemite","- Fe2.668 O4 -","- Fe21.34 O32 -","- Fe21.34 O32 -","","","","Shmakov, A. N.; Kryukova, G. N.; Tsybulya, S. V.; Chuvilin, A. L.; Solovyeva, L. P.","Vacancy ordering in gamma-Fe2O3: synchrotron x-ray powder diffraction and high- resolution electron microscopy studies","Journal of Applied Crystallography","1995","28","","141","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:02",""
"9017505","7.22","","7.09","","7.3","","90","","90","","90","","373.686","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","Cristobalite","- O2 Si -","- O16 Si8 -","- O16 Si8 -","","","","Le Bail, A.","Modelling the silica glass structure by the Rietveld method Note: model for amorphous silica based on cristobalite-type topology","Journal of Non-Crystalline Solids","1995","183","","39","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:03",""
"9017508","12.0317","","6.9272","","12.6711","","90","","90.27","","90","","1056.07","","","","","","","","","","","","Maurienne, France","4","I 1 2 1","I 2y","5","","","Bassanite","- Ca2 H2 O9 S2 -","- Ca2 H2 O9 S2 -","- Ca12 H12 O54 S12 -","6","1.5","","Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S.","Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Sample: SH1, X-ray diffraction","Journal of Solid State Chemistry","1995","117","","165","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017510","11.9845","","6.9292","","12.7505","","90","","90","","90","","1058.84","","","","","","","","","","","","Maurienne, France","4","I 1 2 1","I 2y","5","","","Bassanite","- Ca3 H3.6 O13.8 S3 -","- Ca3 H3.6 O13.8 S3 -","- Ca12 H14.4 O55.2 S12 -","4","1","","Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S.","Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Sample: SH2, X-ray diffraction","Journal of Solid State Chemistry","1995","117","","165","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017512","13.807","","13.807","","18.354","","90","","90","","120","","3030.12","","","","","","","","","","","","Synthetic","4","R -3 c :H","-R 3 2""c","167","","","Yurmarinite","- As6 Fe4 Na6.88 O24 -","- As36 Fe24 Na41.28 O144 -","- As36 Fe24 Na41.28 O144 -","","","","Masquelier, C.; d'Yvoire F; Collin, G.","Crystal structure of Na7Fe4(AsO4)6 and alpha-Na3Al2(AsO4)3, two sodium ion conductors structurally related to II-Na3Fe2(AsO4)3","Journal of Solid State Chemistry","1995","118","","33","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:03",""
"9017513","14.576","","13.409","","9.728","","90","","96.95","","90","","1887.36","","","","","","","","","","","","Synthetic","4","C 1 2 1","C 2y","5","","","","- Al2 As3 Na3 O12 -","- Al16 As24 Na24 O96 -","- Al16 As24 Na24 O96 -","","","","Masquelier, C.; d'Yvoire F; Collin, G.","Crystal structure of Na7Fe4(AsO4)6 and alpha-Na3Al2(AsO4)3, two sodium ion conductors structurally related to II-Na3Fe2(AsO4)3","Journal of Solid State Chemistry","1995","118","","33","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:03",""