# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-16T09:45:35+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica Section B') AND volume = 51 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
"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",""
"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",""
"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",""
"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",""
"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",""