# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T12:30:22+01:00
# 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: Structural Science') AND volume = 58 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
"2103095","7.1248","0.0007","13.6","0.003","6.7973","0.0009","90","","97.821","0.011","90","","652.49","0.16","120","0.2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","trans-bis(cyanamidonitrato-N:O)bis(imidazole-N3) copper(II)","","","- C8 H8 Cu N10 O4 -","- C8 H8 Cu0.5 N10 O4 -","- C16 H16 Cu N20 O8 -","2","0.5","AN0592","Kožíšek, Jozef; Hansen, Niels, K.; Fuess, Hartmut","Nucleophilic addition reaction in coordinated non-linear pseudohalides : Experimental Charge Density Analysis in trans-bis(cyanamidonitrato-N:O) bis(imidazole-N^3^) copper(II) complex.","Acta Crystallographica, Section B","2002","58","3","463","470","10.1107/S0108768102002410","","","0.71069","MoKα","","","0.0156","","","","0.0166","","","","","","1.42","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103096","5.9001","0.0009","7.2709","0.0007","8.4199","0.0007","90","","111.007","0.015","90","","337.2","","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl2 H8 Mg O4 -","- Cl2 H8 Mg O4 -","- Cl4 H16 Mg2 O8 -","2","0.5","AN0607","Kaduk, James A.","Use of the Inorganic Crystal Structure Database as a problem solving tool","Acta Crystallographica, Section B: Structural Science","2002","58","3","370","379","10.1107/S0108768102003476","","","","","","","","","","","","","","","","","","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103097","6.6154","0.0006","12.0639","0.001","6.0263","0.0005","90","","90","","90","","480.944","","298","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C2 H14 Fe2 N2 O11 -","- C H6 Fe N O5 -","- C4 H24 Fe4 N4 O20 -","4","0.25","AN0607","Kaduk, James A.","Use of the Inorganic Crystal Structure Database as a problem solving tool","Acta Crystallographica, Section B: Structural Science","2002","58","3","370","379","10.1107/S0108768102003476","","","","","","","","","","","","","","","","","","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103098","7.389","0.003","8.55","0.002","3.6488","0.0017","90","","98.96","0.03","90","","227.69","","298","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl2 H4 Mg O2 -","- Cl2 H4 Mg O2 -","- Cl4 H8 Mg2 O4 -","2","0.25","AN0607","Kaduk, James A.","Use of the Inorganic Crystal Structure Database as a problem solving tool","Acta Crystallographica, Section B: Structural Science","2002","58","3","370","379","10.1107/S0108768102003476","","","","","","","","","","","","","","","","","","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103099","8.899","0.007","3.634","0.002","11.398","0.008","90","","90","","90","","368.6","","298","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl2 H2 Mg O -","- Cl2 H2 Mg O -","- Cl8 H8 Mg4 O4 -","4","0.5","AN0607","Kaduk, James A.","Use of the Inorganic Crystal Structure Database as a problem solving tool","Acta Crystallographica, Section B: Structural Science","2002","58","3","370","379","10.1107/S0108768102003476","","","","","","","","","","","","","","","","","","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103100","12.5882","0.0005","13.0724","0.0005","7.3353","0.0003","108.162","0.002","70.536","0.003","112.658","0.002","1026.68","0.08","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- Al4 H50 O52 S7 -","- Al4 H50 O52 S7 -","- Al4 H50 O52 S7 -","1","0.5","AN0607","Kaduk, James A.","Use of the Inorganic Crystal Structure Database as a problem solving tool","Acta Crystallographica, Section B: Structural Science","2002","58","3","370","379","10.1107/S0108768102003476","","","","","","","","","","","","","","","","","","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103101","7.1157","0.0009","7.518","0.001","7.5988","0.0011","90","","116.307","0.006","90","","364.4","0.05","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Fe H2 O5 S -","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","4","0.5","AN0607","Kaduk, James A.","Use of the Inorganic Crystal Structure Database as a problem solving tool","Acta Crystallographica, Section B: Structural Science","2002","58","3","370","379","10.1107/S0108768102003476","","","","","","","","","","","","","","","","","","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103102","7.42","","26.97","","6.062","","89.57","","97.34","","91.53","","1202.7","","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- Al2 H34 O29 S3 -","- Al2 H34 O29 S3 -","- Al4 H68 O58 S6 -","2","1","AN0607","Kaduk, James A.","Use of the Inorganic Crystal Structure Database as a problem solving tool","Acta Crystallographica, Section B: Structural Science","2002","58","3","370","379","10.1107/S0108768102003476","","","","","","","","","","","","","","","","","","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103104","6.648","0.001","14.888","0.003","20.38","0.004","86.2","0.03","86.02","0.03","81","0.03","1984.3","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","[Bis(ethylenedithio)tetrathiafulvalene] tetrathiocyanatokalium mercury 2:1","","","- C24 H20 Hg K N4 S20 -","- C24 Hg K N4 S20.026 -","- C48 Hg2 K2 N8 S40.052 -","2","1","AV0050","Kazheva, Olga; Canadell, Enric; Aleksandrov, Grigorii; Kushch, Nataliya; Dyachenko, Oleg","Crystal and electronic structure of a new metallic modification of (ET)~2~[KHg(NCS)~4~]","Acta Crystallographica, Section B","2002","58","2","471","476","10.1107/S0108768102001052","","","0.71069","MoKα","","0.0703","0.0555","","","0.1294","0.1403","","","","","","0.804","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103105","15.824","0.003","9.1501","0.0015","13.894","0.002","90","","102.879","0.003","90","","1961.1","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","ortho tetrachlorodicyanobenzene/hexamethyl benzene, 1/1","","- C20 H18 Cl4 N2 -","- C20 H18 Cl4 N2 -","- C80 H72 Cl16 N8 -","4","0.5","BK0105","Britton, Doyle","Planar packing of tetrachlorodicyanobenzene isomers","Acta Crystallographica, Section B: Structural Science","2002","58","3","553","563","10.1107/S0108768102003348","","","0.71073","MoKα","","0.0626","0.043","","","0.106","0.1129","","","","","","0.952","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103106","7.529","0.0012","8.9503","0.0014","9.0513","0.0011","118.425","0.003","109.414","0.003","95.139","0.003","482.8","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","meta tetrachlorodicyanobenzene/hexamethylbenzene, 1/1 polymorph I","","- C20 H18 Cl4 N2 -","- C20 H18 Cl4 N2 -","- C20 H18 Cl4 N2 -","1","0.5","BK0105","Britton, Doyle","Planar packing of tetrachlorodicyanobenzene isomers","Acta Crystallographica, Section B: Structural Science","2002","58","3","553","563","10.1107/S0108768102003348","","","0.71073","MoKα","","0.048","0.0378","","","0.1054","0.1137","","","","","","1.041","","","","has coordinates,has disorder","203217","2020-10-21","18:00:00",""
"2103107","14.064","0.002","8.9554","0.0013","18.117","0.003","118.407","0.002","90.832","0.003","76.46","0.002","1938.8","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","meta tetrachlorodicyanobenzene/hexamethylbenzene, 1/1 polymorph II","","- C20 H18 Cl4 N2 -","- C20 H18 Cl4 N2 -","- C80 H72 Cl16 N8 -","4","2","BK0105","Britton, Doyle","Planar packing of tetrachlorodicyanobenzene isomers","Acta Crystallographica, Section B: Structural Science","2002","58","3","553","563","10.1107/S0108768102003348","","","0.71073","MoKα","","0.0922","0.0715","","","0.2014","0.2249","","","","","","0.997","","","","has coordinates,has disorder","203217","2020-10-21","18:00:00",""
"2103108","7.513","0.003","8.615","0.003","9.029","0.003","114.24","0.03","113.3","0.02","91.92","0.03","475.8","0.3","189","2","189","2","","","","","","","","4","P -1","-P 1","2","","para tetrachlorodicyanobenzene/hexamethylbenzene, 1/1 polymorph I","","- C20 H18 Cl4 N2 -","- C20 H18 Cl4 N2 -","- C20 H18 Cl4 N2 -","1","0.5","BK0105","Britton, Doyle","Planar packing of tetrachlorodicyanobenzene isomers","Acta Crystallographica, Section B: Structural Science","2002","58","3","553","563","10.1107/S0108768102003348","","","0.71073","MoKα","","0.0848","0.0737","","","0.2028","0.2115","","","","","","1.095","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103109","7.5567","0.0011","8.8956","0.0011","8.9921","0.0011","116.697","0.003","112.099","0.003","92.101","0.003","484.66","0.11","174","2","174","2","","","","","","","","4","P -1","-P 1","2","","para tetrachlorodicyanobenzene/hexamethylbenzene, 1/1, polymorph II","","- C20 H18 Cl4 N2 -","- C20 H18 Cl4 N2 -","- C20 H18 Cl4 N2 -","1","0.5","BK0105","Britton, Doyle","Planar packing of tetrachlorodicyanobenzene isomers","Acta Crystallographica, Section B: Structural Science","2002","58","3","553","563","10.1107/S0108768102003348","","","0.71073","MoKα","","0.042","0.036","","","0.102","0.107","","","","","","1.055","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103110","9.754","0.002","15.41","0.003","7.555","0.0015","90","","116.88","0.03","90","","1012.9","0.4","297","2","297","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","para tetrachlorodicyanobenzene/hexamethylbenzene, 1/1. polymorph III","","- C20 H18 Cl4 N2 -","- C20 H18 Cl4 N2 -","- C40 H36 Cl8 N4 -","2","0.25","BK0105","Britton, Doyle","Planar packing of tetrachlorodicyanobenzene isomers","Acta Crystallographica, Section B: Structural Science","2002","58","3","553","563","10.1107/S0108768102003348","","","0.71073","MoKα","","0.066","0.048","","","0.138","0.149","","","","","","1.037","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103111","7.4982","0.0001","9.0371","0.0003","15.4538","0.0006","85.08","0.002","81.795","0.002","71.168","0.002","980.1","0.05","174","2","174","2","","","","","","","","4","P -1","-P 1","2","","para tetrachlorodicyanobenzene/hexamethylbenzene, 1/1. polymorph IV","","- C20 H18 Cl4 N2 -","- C20 H18 Cl4 N2 -","- C40 H36 Cl8 N4 -","2","1","BK0105","Britton, Doyle","Planar packing of tetrachlorodicyanobenzene isomers","Acta Crystallographica, Section B: Structural Science","2002","58","3","553","563","10.1107/S0108768102003348","","","0.71073","MoKα","","0.175","0.094","","","0.219","0.247","","","","","","0.896","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103112","11.125","0.002","8.1671","0.0016","23.585","0.005","90","","99.61","0.03","90","","2112.9","0.7","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl5 N4 P3 -","- C14 H14 Cl5 N4 P3 -","- C56 H56 Cl20 N16 P12 -","4","1","BM0049","Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Uslu, Aylin","Structural investigations of phosphorus‒nitrogen compounds. 4. Steric and electronic effects in dibenzylamino derivatives of hexachlorocyclotriphosphazatriene and 4,4,6,6-tetrachloro-2,2-diphenylcyclotriphosphazatriene","Acta Crystallographica, Section B: Structural Science","2002","58","3","545","552","10.1107/S0108768102003816","","","0.71073","MoKα","","0.0411","0.0311","","","0.078","0.0823","","","","","","1.048","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103113","18.294","0.004","17.411","0.004","19.047","0.004","90","","90","","90","","6067","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl4 N5 P3 -","- C28 H28 Cl4 N5 P3 -","- C224 H224 Cl32 N40 P24 -","8","1","BM0049","Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Uslu, Aylin","Structural investigations of phosphorus‒nitrogen compounds. 4. Steric and electronic effects in dibenzylamino derivatives of hexachlorocyclotriphosphazatriene and 4,4,6,6-tetrachloro-2,2-diphenylcyclotriphosphazatriene","Acta Crystallographica, Section B: Structural Science","2002","58","3","545","552","10.1107/S0108768102003816","","","0.71073","MoKα","","0.0681","0.0385","","","0.0912","0.1043","","","","","","0.873","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103114","11.657","0.002","8.5838","0.0017","13.783","0.003","90","","96.41","0.03","90","","1370.5","0.5","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C26 H24 Cl3 N4 P3 -","- C26 H24 Cl3 N4 P3 -","- C52 H48 Cl6 N8 P6 -","2","1","BM0049","Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Uslu, Aylin","Structural investigations of phosphorus‒nitrogen compounds. 4. Steric and electronic effects in dibenzylamino derivatives of hexachlorocyclotriphosphazatriene and 4,4,6,6-tetrachloro-2,2-diphenylcyclotriphosphazatriene","Acta Crystallographica, Section B: Structural Science","2002","58","3","545","552","10.1107/S0108768102003816","","","0.71073","MoKα","","0.0878","0.0461","","","0.0706","0.081","","","","","","0.978","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103115","10.281","0.0001","21.0219","0.0003","17.3783","0.0002","90","","99.047","0.001","90","","3709.18","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 Cl2 N5 P3 -","- C40 H38 Cl2 N5 P3 -","- C160 H152 Cl8 N20 P12 -","4","1","BM0049","Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Uslu, Aylin","Structural investigations of phosphorus‒nitrogen compounds. 4. Steric and electronic effects in dibenzylamino derivatives of hexachlorocyclotriphosphazatriene and 4,4,6,6-tetrachloro-2,2-diphenylcyclotriphosphazatriene","Acta Crystallographica, Section B: Structural Science","2002","58","3","545","552","10.1107/S0108768102003816","","","0.71073","MoKα","","0.0452","0.0354","","","0.0875","0.0941","","","","","","1.007","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103116","7.8379","0.0002","13.4076","0.0003","14.0752","0.0004","90","","90","","90","","1479.13","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H12 Cl4 N5 P3 -","- C5 H12 Cl4 N5 P3 -","- C20 H48 Cl16 N20 P12 -","4","1","BM0049","Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Uslu, Aylin","Structural investigations of phosphorus‒nitrogen compounds. 4. Steric and electronic effects in dibenzylamino derivatives of hexachlorocyclotriphosphazatriene and 4,4,6,6-tetrachloro-2,2-diphenylcyclotriphosphazatriene","Acta Crystallographica, Section B: Structural Science","2002","58","3","545","552","10.1107/S0108768102003816","","","0.71073","MoKα","","0.0305","0.0272","","","0.063","0.0647","","","","","","0.908","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103117","10.474","0.005","66.24","0.03","6.662","0.003","90","","90","","90","","4622","4","295","1","295","1","","","","","","","","3","C m c 21","C 2c -2","36","","4,4'-dimethyl-2-hydroxy-6-oxo-cyclohexene-1-carboxylic acid","","- C9 H12 O4 -","- C9.0066 H12 O4 -","- C180.132 H240 O80 -","20","2.5","BR0109","Duncan, Laura L.; Patrick, Brian O.; Brock, Carolyn Pratt","Two phases of C~9~H~12~O~4~: why is the structure at 295K so complicated?","Acta Crystallographica, Section B: Structural Science","2002","58","3","502","511","10.1107/S0108768102000630","","","0.71073","MoKα","","0.145","0.07","","","0.156","0.191","","","","","","1.5","","","","has coordinates,has disorder","203217","2020-10-21","18:00:00",""
"2103118","10.471","0.003","26.24","0.009","6.434","0.002","90","","90","","90","","1767.8","1","130","2","130","2","","","","","","","","3","P m n b","-P 2bc 2a","62","","4,4'-dimethyl-2-hydroxy-6-oxo-cyclohexene-1-carboxylic acid","","- C9 H12 O4 -","- C9 H12 O4 -","- C72 H96 O32 -","8","1","BR0109","Duncan, Laura L.; Patrick, Brian O.; Brock, Carolyn Pratt","Two phases of C~9~H~12~O~4~: why is the structure at 295K so complicated?","Acta Crystallographica, Section B: Structural Science","2002","58","3","502","511","10.1107/S0108768102000630","","","0.71073","MoKα","","0.137","0.081","","","0.199","0.214","","","","","","1.43","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103119","5.7394","0.0004","4.9616","0.0002","7.97","0.0005","89.999","0.004","90.012","0.005","89.996","0.004","226.96","0.02","293","","","","","","","","","","","3","P -1","-P 1","2","aragonite","calcium carbonate","","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","2","BR0111","Bevan, D. J. M.; Rossmanith, Elisabeth; Mylrea, Darren K.; Ness, Sharon E.; Taylor, Max R.; Cuff, Chris","On the structure of aragonite – Lawrence Bragg revisited","Acta Crystallographica, Section B: Structural Science","2002","58","3","448","456","10.1107/S0108768102003294","","","0.71073","MoKα","","","0.026","","","","0.056","","","","","","1.81","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2103120","17.383","0.002","6.188","0.001","12.361","0.001","90","","101.16","0.01","90","","1304.5","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","trans-2-hydroxy-1-cyclopentane carboxylic acid","","- C6 H10 O3 -","- C6 H10 O3 -","- C48 H80 O24 -","8","1","DE0014","Kálmán, Alajos; Fábián, László; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna","Novel predicted patterns of supramolecular self-assembly afforded by tetrameric R~4~^4^(12) rings of C~2~ symmetry in the crystal structures of 2-hydroxy-1-cyclopentanecarboxylic acid, 2-hydroxy-1- cyclohexanecarboxylic acid and 2-hydroxy-1-cycloheptanecarboxylic acid.","Acta Crystallographica, Section B","2002","58","3","494","501","10.1107/S0108768102001854","","","0.7107","MoKα","","0.0938","0.0428","","","0.1192","0.1419","","","","","","0.819","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103121","21.436","0.008","5.974","0.001","12.095","0.003","90","","97.7","0.03","90","","1534.9","0.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(1R*,2S*)-2-hydroxy-1-cyclohexanecarboxylic acid","","- C7 H12 O3 -","- C7 H12 O3 -","- C56 H96 O24 -","8","1","DE0014","Kálmán, Alajos; Fábián, László; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna","Novel predicted patterns of supramolecular self-assembly afforded by tetrameric R~4~^4^(12) rings of C~2~ symmetry in the crystal structures of 2-hydroxy-1-cyclopentanecarboxylic acid, 2-hydroxy-1- cyclohexanecarboxylic acid and 2-hydroxy-1-cycloheptanecarboxylic acid.","Acta Crystallographica, Section B","2002","58","3","494","501","10.1107/S0108768102001854","","","1.5418","CuKα","","0.0455","0.0356","","","0.1294","0.1355","","","","","","1.128","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2103122","22.876","0.005","6.224","0.001","11.793","0.002","90","","95.56","0.03","90","","1671.2","0.5","293","2","293","2","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","(1R*,2S*)-2-hydroxy-1-cycloheptane carboxylic acid","","- C8 H14 O3 -","- C8 H14 O3 -","- C64 H112 O24 -","8","1","DE0014","Kálmán, Alajos; Fábián, László; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna","Novel predicted patterns of supramolecular self-assembly afforded by tetrameric R~4~^4^(12) rings of C~2~ symmetry in the crystal structures of 2-hydroxy-1-cyclopentanecarboxylic acid, 2-hydroxy-1- cyclohexanecarboxylic acid and 2-hydroxy-1-cycloheptanecarboxylic acid.","Acta Crystallographica, Section B","2002","58","3","494","501","10.1107/S0108768102001854","","","1.5418","CuKα","","0.0405","0.0384","","","0.1445","0.1482","","","","","","1.377","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2103123","10.0793","0.0007","10.0793","0.0007","48.409","0.004","90","","90","","120","","4259.1","0.6","133","2","133","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C24 H54 O3 Si3 -","- C24 H54 O3 Si3 -","- C144 H324 O18 Si18 -","6","0.166667","JZ0014","Herbst-Irmer, Regine; Sheldrick, George M.","Refinement of obverse/reverse twins","Acta Crystallographica, Section B: Structural Science","2002","58","3","477","481","10.1107/S0108768102001039","","","0.71073","MoKα","","0.0425","0.0349","","","0.0875","0.0903","","","","","","1.111","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103124","14.899","0.002","14.899","0.002","30.472","0.006","90","","90","","120","","5857.9","1.6","133","2","133","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C50 H121 Al3 F10 Li4 O5 Si9 -","- C50.91 H122.82 Al3 F10 Li4 O4 Si9 -","- C152.73 H368.46 Al9 F30 Li12 O12 Si27 -","3","0.333333","JZ0014","Herbst-Irmer, Regine; Sheldrick, George M.","Refinement of obverse/reverse twins","Acta Crystallographica, Section B: Structural Science","2002","58","3","477","481","10.1107/S0108768102001039","","","0.71073","MoKα","","0.0336","0.0323","","","0.0841","0.0873","","","","","","1.086","","","","has coordinates,has disorder","203217","2020-10-21","18:00:00",""
"2103125","5.8389","0.0002","19.3579","0.0005","8.0338","0.0003","90","","97.203","0.002","90","","900.88","0.05","105","0.1","105","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","hydrogen-[(2,4-diaminopyrimidin-1-io)methyl]phosphonate monohydrate","hydrogen-[(2,4-diaminopyrimidin-1-io)methyl]phosphonate monohydrate","","- C5 H11 N4 O4 P -","- C5 H11 N4 O4 P -","- C20 H44 N16 O16 P4 -","4","1","LC0047","Slouf, Miroslav; Holy, Antonin; Petricek, Vaclav; Cisarova, Ivana","Charge density study of hydrogen-[(2,4-diaminopyrimidin-1-io)methyl]phosphonate monohydrate","Acta Crystallographica, Section B","2002","58","1","519","529","10.1107/S0108768102004020","","","0.71069","MoKα","","0.0741","0.0329","","","0.0235","0.0215","","","","1.58","1.58","1.37","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103126","5.8757","0.0003","7.8751","0.0004","10.6165","0.0007","70.345","0.002","74.5","0.002","87.435","0.003","445.24","0.04","293","2","293","2","","","","","","","","4","P 1","P 1","1","","N,N'-Dimethylpiperazine‒(S)-malic acid (1/2)","","- C14 H26 N2 O10 -","- C14 H26 N2 O10 -","- C14 H26 N2 O10 -","1","1","NA0134","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Chiral versus racemic building blocks in supramolecular chemistry: malate salts of organic diamines","Acta Crystallographica, Section B","2002","58","3","530","544","10.1107/S0108768102000642","","","0.71073","MoKα","","0.0676","0.041","","","0.0978","0.1109","","","","","","0.978","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103127","5.1647","0.0004","6.2749","0.0005","10.2126","0.0009","83.235","0.003","89.808","0.003","79.601","0.003","323.21","0.05","150","2","150","2","","","","","","","","4","P 1","P 1","1","","4,4'-Bipyridyl‒(S)-malic acid (1/1),triclinic polymorph","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","1","1","NA0134","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Chiral versus racemic building blocks in supramolecular chemistry: malate salts of organic diamines","Acta Crystallographica, Section B","2002","58","3","530","544","10.1107/S0108768102000642","","","0.71073","MoKα","","0.0639","0.0478","","","0.1193","0.1303","","","","","","1.032","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103128","20.5","0.004","4.6656","0.0009","14.201","0.003","90","","99.68","0.03","90","","1338.9","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","4,4'-Bipyridyl‒(S)-malic acid (1/1), monoclinic polymorph","","- C28 H28 N4 O10 -","- C28 H28 N4 O10 -","- C56 H56 N8 O20 -","2","0.5","NA0134","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Chiral versus racemic building blocks in supramolecular chemistry: malate salts of organic diamines","Acta Crystallographica, Section B","2002","58","3","530","544","10.1107/S0108768102000642","","","0.71073","MoKα","","0.0781","0.0452","","","0.1025","0.1226","","","","","","1.052","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103129","14.1274","0.0008","4.7459","0.0003","20.1749","0.0013","90","","100.565","0.003","90","","1329.74","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Bipyridyl‒racemic malic acid (1/1)","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C56 H56 N8 O20 -","4","1","NA0134","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Chiral versus racemic building blocks in supramolecular chemistry: malate salts of organic diamines","Acta Crystallographica, Section B","2002","58","3","530","544","10.1107/S0108768102000642","","","0.71073","MoKα","","0.1566","0.0604","","","0.1472","0.1892","","","","","","0.972","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103130","4.9325","0.0003","8.3343","0.0004","9.3502","0.0007","72.751","0.002","89.414","0.002","80.207","0.002","361.41","0.04","150","2","150","2","","","","","","","","4","P 1","P 1","1","","1,2-Bis-(4'-pyridyl)ethene‒(S)-malic acid (1/1)","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","1","1","NA0134","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Chiral versus racemic building blocks in supramolecular chemistry: malate salts of organic diamines","Acta Crystallographica, Section B","2002","58","3","530","544","10.1107/S0108768102000642","","","0.71073","MoKα","","0.0612","0.0549","","","0.1361","0.1427","","","","","","1.095","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2103131","4.9566","0.0006","8.4178","0.001","9.2538","0.0014","73.213","0.005","89.915","0.006","79.75","0.007","363.24","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1,2-Bis-(4'-pyridyl)ethene‒racemic malic acid (1/1)","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","1","0.5","NA0134","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Chiral versus racemic building blocks in supramolecular chemistry: malate salts of organic diamines","Acta Crystallographica, Section B","2002","58","3","530","544","10.1107/S0108768102000642","","","0.71073","MoKα","","0.1076","0.0593","","","0.1475","0.1785","","","","","","1.024","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2103132","12.7309","0.0003","20.9103","0.0005","12.54","0.0003","90","","95.178","0.0013","90","","3324.61","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Diazabicyclo[2.2.2]octane‒racemic malic acid (1/2)","","- C14 H24 N2 O10 -","- C14 H24 N2 O10 -","- C112 H192 N16 O80 -","8","2","NA0134","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Chiral versus racemic building blocks in supramolecular chemistry: malate salts of organic diamines","Acta Crystallographica, Section B","2002","58","3","530","544","10.1107/S0108768102000642","","","0.71073","MoKα","","0.1114","0.0551","","","0.1354","0.1676","","","","","","1.025","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103133","4.1367","0.0001","4.1367","0.0001","4.1367","0.0001","90","","90","","90","","70.788","0.003","100","1","100","","","","","","","","","2","P m -3 m","-P 4 2 3","221","cerium hexaboride","cerium hexaboride","","- B6 Ce -","- B6 Ce -","- B6 Ce -","1","0.0208333","OA0037","Tanaka, Kiyoaki; Ōnuki, Yoshichika","Observation of 4<i>f</i> electron transfer from Ce to B~6~ in the Kondo crystal CeB~6~ and its mechanism by multi-temperature X-ray diffraction","Acta Crystallographica, Section B: Structural Science","2002","58","3","423","436","10.1107/S010876810102167X","","","0.71073","MoKα","","","0.0064","","","0.008","0.008","","","","","","","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103134","4.1381","0.0001","4.1381","0.0001","4.1381","0.0001","90","","90","","90","","70.862","0.002","165","1","165","","","","","","","","","2","P m -3 m","","","cerium hexaboride","","","- B6 Ce -","- B6 Ce -","- B6 Ce -","1","0.0208333","OA0037","Tanaka, Kiyoaki; Ōnuki, Yoshichika","Observation of 4<i>f</i> electron transfer from Ce to B~6~ in the Kondo crystal CeB~6~ and its mechanism by multi-temperature X-ray diffraction","Acta Crystallographica, Section B: Structural Science","2002","58","3","423","436","10.1107/S010876810102167X","","","0.71073","MoKα","","","0.0067","","","0.0076","0.0076","","","","","","","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103135","4.1391","0.0001","4.1391","0.0001","4.1391","0.0001","90","","90","","90","","70.914","0.004","230","1","230","","","","","","","","","2","P m -3 m","","","cerium hexaboride","cerium hexaboride","","- B6 Ce -","- B6 Ce -","- B6 Ce -","1","0.0208333","OA0037","Tanaka, Kiyoaki; Ōnuki, Yoshichika","Observation of 4<i>f</i> electron transfer from Ce to B~6~ in the Kondo crystal CeB~6~ and its mechanism by multi-temperature X-ray diffraction","Acta Crystallographica, Section B: Structural Science","2002","58","3","423","436","10.1107/S010876810102167X","","","0.71073","MoKα","","","0.007","","","0.0081","0.0081","","","","","","","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103136","4.1407","0.0001","4.1407","0.0001","4.1407","0.0001","90","","90","","90","","70.996","0.002","298","","298","","","","","","","","","2","P m -3 m","-P 4 2 3","221","cerium hexaboride","","","- B6 Ce -","- B6 Ce -","- B6 Ce -","1","0.0208333","OA0037","Tanaka, Kiyoaki; Ōnuki, Yoshichika","Observation of 4<i>f</i> electron transfer from Ce to B~6~ in the Kondo crystal CeB~6~ and its mechanism by multi-temperature X-ray diffraction","Acta Crystallographica, Section B: Structural Science","2002","58","3","423","436","10.1107/S010876810102167X","","","0.71073","MoKα","","","0.0083","","","0.009","0.009","","","","","","","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103137","5.6595","0.0004","8.3306","0.0006","33.022","0.002","90","","90","","90","","1556.9","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Val-L-Phe dihydrate","","- C14 H24 N2 O5 -","- C14 H24 N2 O5 -","- C56 H96 N8 O20 -","4","1","OS0088","Görbitz, Carl Henrik","b Turns, water cage formation and hydrogen bonding in the structures of L-Valyl-L-phenylalanine","Acta Crystallographica, Section B","2002","58","3","512","518","10.1107/S010876810200277X","","","0.71073","MoKα","","0.035","0.0302","","","0.0697","0.0715","","","","","","1.089","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103138","10.3137","0.0003","45.2095","0.0012","15.5891","0.0004","90","","105.171","0.001","90","","7015.5","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Val-L-Phe trihydrate","","- C14 H26 N2 O6 -","- C14.0095 H25.8456 N2.0015 O5.99387 -","- C224.152 H413.53 N32.024 O95.902 -","16","8","OS0088","Görbitz, Carl Henrik","b Turns, water cage formation and hydrogen bonding in the structures of L-Valyl-L-phenylalanine","Acta Crystallographica, Section B","2002","58","3","512","518","10.1107/S010876810200277X","","","0.71073","MoKα","","0.0793","0.0751","","","0.2056","0.2081","","","","","","1.196","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2103139","13.6414","0.0008","13.8338","0.0007","13.8548","0.0007","91.83","0.003","116.776","0.002","119.333","0.0019","1924.78","","","","235","","","","","","","","","3","P -1","-P 1","2","","","","- C74 H16 Cr -","- C150 H20 Cr2 -","- C150 H20 Cr2 -","","","SN0020","Hönnerscheid, Andreas; Dinnebier, Robert; Jansen, Martin","Reversible dimerization of C~60~ molecules in the crystal structure of the bis(arene)chromium fulleride [Cr(C~7~H~8~)]~2~C~60~","Acta Crystallographica, Section B: Structural Science","2002","58","3","482","488","10.1107/S0108768102001970","","","0.7","synchrotron","","","","","","","","","","0.86","","","","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103140","11.89979","0.00008","46.3879","0.0004","5.43998","0.00003","72.359","0.001","100.211","0.001","121.125","0.001","2448.94","0.04","243","","243","","","","","","","","","3","P -1","-P 1","2","","β-1,2,3-tris(pentadecanoyl)glycerol","","- C48 H92 O6 -","- C48 H92 O6 -","- C96 H184 O12 -","2","1","AV0044","Helmholdt, Robert B.; Peschar, René; Schenk, Henk","Structure of C~15~-, C~17~- and C~19~-mono-acid β-triacylglycerols","Acta Crystallographica Section B","2002","58","1","134","139","10.1107/S0108768101016330","","","0.850047","synchrotron","","","","","","","","","","6","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103141","11.86642","0.00018","51.4495","0.0011","5.43208","0.00007","72.765","0.002","100.095","0.001","120.577","0.002","2725.82","0.1","243","","243","","","","","","","","","3","P -1","-P 1","2","","β-1,2,3-tris(heptadecanoyl)glycerol","","- C54 H104 O6 -","- C54 H104 O6 -","- C108 H208 O12 -","2","1","AV0044","Helmholdt, Robert B.; Peschar, René; Schenk, Henk","Structure of C~15~-, C~17~- and C~19~-mono-acid β-triacylglycerols","Acta Crystallographica Section B","2002","58","1","134","139","10.1107/S0108768101016330","","","0.850047","synchrotron","","","","","","","","","","3","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103142","11.86797","0.00012","56.5143","0.0009","5.42795","0.00005","73.064","0.001","100.02","0.001","120.084","0.001","3011.82","0.07","243","","243","","","","","","","","","3","P -1","-P 1","2","","β-1,2,3-tris(nonadecanoyl)glycerol","","- C60 H116 O6 -","- C60 H116 O6 -","- C120 H232 O12 -","2","1","AV0044","Helmholdt, Robert B.; Peschar, René; Schenk, Henk","Structure of C~15~-, C~17~- and C~19~-mono-acid β-triacylglycerols","Acta Crystallographica Section B","2002","58","1","134","139","10.1107/S0108768101016330","","","0.850047","synchrotron","","","","","","","","","","3.4","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103143","6.638","0.001","8.309","0.002","28.776","0.006","90","","90","","90","","1587.1","0.6","110","2","110","2","","","","","","","","4","P b c m","-P 2c 2b","57","[Bis(ethylenedithio)tetrathiafulvalene] thiocyanate 1:0.77","","","- C10.77 H8 N0.77 S8.77 -","- C10.7 H8 N0.808 S8.771 -","- C42.8 H32 N3.232 S35.084 -","4","0.5","AV0048","Kazheva, Olga N.; Canadell, Enric; Aleksandrov, Grigorii G.; Kushch, Nataliya D.; Dyachenko, Oleg A.","Quasi-three-dimensional network of molecular interactions and electronic structure of a new organic semiconductor, ET(NCS)~0.77~","Acta Crystallographica Section B","2002","58","1","148","152","10.1107/S0108768101019322","","","0.71069","MoKα","","0.0654","0.0569","","","0.1348","0.1412","","","","","","0.884","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103144","7.973","0.002","7.0579","0.0015","12.389","0.003","90","","92.683","0.004","90","","696.4","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-chlorobenzfurazan-1-oxide","","- C6 H3 Cl N2 O2 -","- C6 H3 Cl N2 O2 -","- C24 H12 Cl4 N8 O8 -","4","1","BK0096","Pink, Maren; Britton, Doyle","5-Chloro- and 5-bromobenzfurazan 1-oxide revisited","Acta Crystallographica Section B","2002","58","1","116","124","10.1107/S0108768101014744","","","0.71073","MoKα","","0.0799","0.0341","","0.0868","0.0747","","","","0.882","1.161","1.161","","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103145","7.8317","0.001","7.0527","0.0009","12.2576","0.0015","90","","93.612","0.002","90","","675.7","0.15","98","1","98","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-chlorobenzfurazan-1-oxide","","- C6 H3 Cl N2 O2 -","- C6 H3 Cl N2 O2 -","- C24 H12 Cl4 N8 O8 -","4","1","BK0096","Pink, Maren; Britton, Doyle","5-Chloro- and 5-bromobenzfurazan 1-oxide revisited","Acta Crystallographica Section B","2002","58","1","116","124","10.1107/S0108768101014744","","","0.71073","MoKα","","0.0453","0.0356","","0.1027","0.0973","","","","1.043","1.117","1.117","","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103146","7.954","0.004","7.297","0.003","12.574","0.006","90","","90.124","0.008","90","","729.8","0.6","299","1","299","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-bromobenzfurazan-1-oxide (high temperature polymorph)","","- C6 H3 Br N2 O2 -","- C6 H3 Br N2 O2 -","- C24 H12 Br4 N8 O8 -","4","1","BK0096","Pink, Maren; Britton, Doyle","5-Chloro- and 5-bromobenzfurazan 1-oxide revisited","Acta Crystallographica Section B","2002","58","1","116","124","10.1107/S0108768101014744","","","0.71073","MoKα","","0.0821","0.0464","","0.1391","0.1271","","","","0.95","1.221","1.221","","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103147","14.5294","0.0003","7.4121","0.0002","14.5587","0.0003","90","","115.676","0.001","90","","1413.06","0.06","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-bromobenzfurazan-1-oxide (low temperature polymorph)","","- C6 H3 Br N2 O2 -","- C6 H3 Br N2 O2 -","- C48 H24 Br8 N16 O16 -","8","2","BK0096","Pink, Maren; Britton, Doyle","5-Chloro- and 5-bromobenzfurazan 1-oxide revisited","Acta Crystallographica Section B","2002","58","1","116","124","10.1107/S0108768101014744","","","0.71073","MoKα","","0.056","0.031","","0.0748","0.0707","","","","0.954","1.125","1.125","","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103148","9.753","0.002","6.933","0.001","9.572","0.002","90","","94.39","0.03","90","","645.3","0.2","306","2","306","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","","- C14 H18 O3 -","- C14 H18 O3 -","- C28 H36 O6 -","2","0.5","BM0046","Budzianowski, Armand; Katrusiak, Andrzej","Coupling of the lactone-ring conformation with crystal symmetry in 6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","Acta Crystallographica Section B","2002","58","1","125","133","10.1107/S0108768101017955","","","1.54178","CuKα","","0.0556","0.0468","","","0.1029","0.1094","","","","","","0.93","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103149","9.753","0.001","6.941","0.001","9.573","0.001","90","","94.38","0.01","90","","646.16","0.13","317","2","317","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","","- C14 H18 O3 -","- C14 H18 O3 -","- C28 H36 O6 -","2","0.5","BM0046","Budzianowski, Armand; Katrusiak, Andrzej","Coupling of the lactone-ring conformation with crystal symmetry in 6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","Acta Crystallographica Section B","2002","58","1","125","133","10.1107/S0108768101017955","","","1.54178","CuKα","","0.0531","0.0442","","","0.1246","0.1342","","","","","","1.075","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103150","9.756","0.001","6.947","0.001","9.575","0.002","90","","94.36","0.02","90","","647.07","0.18","328","2","328","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","","- C14 H18 O3 -","- C14 H18 O3 -","- C28 H36 O6 -","2","0.5","BM0046","Budzianowski, Armand; Katrusiak, Andrzej","Coupling of the lactone-ring conformation with crystal symmetry in 6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","Acta Crystallographica Section B","2002","58","1","125","133","10.1107/S0108768101017955","","","1.54178","CuKα","","0.0646","0.0551","","","0.1518","0.1606","","","","","","1.317","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103151","13.449","0.004","6.757","0.002","13.746","0.004","90","","91.54","0.02","90","","1248.7","0.6","110","0.1","110","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6-hydroxy-4,4,5,7,8-pentamethylo-3,4-dihydrocoumarin","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","BM0046","Budzianowski, Armand; Katrusiak, Andrzej","Coupling of the lactone-ring conformation with crystal symmetry in 6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","Acta Crystallographica Section B","2002","58","1","125","133","10.1107/S0108768101017955","","","0.71073","MoKα","","0.1382","0.0694","","","0.1606","0.2045","","","","","","0.999","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103152","13.429","0.004","6.784","0.002","13.792","0.004","90","","91.54","0.02","90","","1256","0.6","150","0.1","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","BM0046","Budzianowski, Armand; Katrusiak, Andrzej","Coupling of the lactone-ring conformation with crystal symmetry in 6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","Acta Crystallographica Section B","2002","58","1","125","133","10.1107/S0108768101017955","","","0.71073","MoKα","","0.1049","0.0549","","","0.1261","0.1522","","","","","","0.999","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103153","13.345","0.002","6.853","0.001","13.973","0.003","90","","91.25","0.02","90","","1277.6","0.4","220","0.1","220","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","BM0046","Budzianowski, Armand; Katrusiak, Andrzej","Coupling of the lactone-ring conformation with crystal symmetry in 6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","Acta Crystallographica Section B","2002","58","1","125","133","10.1107/S0108768101017955","","","0.71073","MoKα","","0.0791","0.055","","","0.1526","0.1707","","","","","","0.996","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103154","13.344","0.002","6.854","0.001","13.964","0.002","90","","91.18","0.02","90","","1276.9","0.3","220","0.1","220","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6-hyroxy-4,4,5,7,8-pentamathyl-3,4-dihydrocoumarin","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","BM0046","Budzianowski, Armand; Katrusiak, Andrzej","Coupling of the lactone-ring conformation with crystal symmetry in 6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","Acta Crystallographica Section B","2002","58","1","125","133","10.1107/S0108768101017955","","","0.71073","MoKα","","0.1407","0.0692","","","0.1853","0.2258","","","","","","0.826","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103155","13.341","0.002","6.857","0.001","13.969","0.002","90","","91.18","0.02","90","","1277.6","0.3","224","0.1","224","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","BM0046","Budzianowski, Armand; Katrusiak, Andrzej","Coupling of the lactone-ring conformation with crystal symmetry in 6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","Acta Crystallographica Section B","2002","58","1","125","133","10.1107/S0108768101017955","","","0.71073","MoKα","","0.1864","0.0642","","","0.1506","0.1877","","","","","","0.937","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103156","9.76","0.007","6.863","0.002","19.113","0.004","90","","94.75","0.04","90","","1275.8","1","225.1","0.1","225.1","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-hydroxhy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","BM0046","Budzianowski, Armand; Katrusiak, Andrzej","Coupling of the lactone-ring conformation with crystal symmetry in 6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","Acta Crystallographica Section B","2002","58","1","125","133","10.1107/S0108768101017955","","","0.71073","MoKα","","0.2229","0.0558","","","0.0716","0.085","","","","","","0.985","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103157","9.758","0.001","6.883","0.001","19.117","0.001","90","","94.75","0.01","90","","1279.6","0.2","230","0.1","230","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-hydroxy-4,4,5,7,8-pentamathyl-3,4-dihydrocoumarin","","- C14 H18 O3 -","- C14 H17.98 O3 -","- C56 H71.92 O12 -","4","1","BM0046","Budzianowski, Armand; Katrusiak, Andrzej","Coupling of the lactone-ring conformation with crystal symmetry in 6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","Acta Crystallographica Section B","2002","58","1","125","133","10.1107/S0108768101017955","","","0.71073","MoKα","","0.1154","0.065","","","0.1863","0.2159","","","","","","1.006","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103158","9.729","0.001","6.868","0.002","19.047","0.004","90","","94.67","0.02","90","","1268.5","0.5","250","0.1","250","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","BM0046","Budzianowski, Armand; Katrusiak, Andrzej","Coupling of the lactone-ring conformation with crystal symmetry in 6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","Acta Crystallographica Section B","2002","58","1","125","133","10.1107/S0108768101017955","","","0.71073","MoKα","","0.2007","0.0574","","","0.1166","0.1659","","","","","","1","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103159","9.739","0.002","6.895","0.002","19.066","0.005","90","","94.57","0.03","90","","1276.2","0.6","277.9","0.1","277.9","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-hydroxy-4,4,5,6,7-pentamethyl-3,4-dihydrocoumarin","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","BM0046","Budzianowski, Armand; Katrusiak, Andrzej","Coupling of the lactone-ring conformation with crystal symmetry in 6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","Acta Crystallographica Section B","2002","58","1","125","133","10.1107/S0108768101017955","","","0.71073","MoKα","","0.2414","0.0578","","","0.0957","0.128","","","","","","0.823","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103160","9.768","0.006","6.933","0.003","19.13","0.004","90","","94.39","0.04","90","","1291.7","1","285","0.1","285","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-hydrohy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","BM0046","Budzianowski, Armand; Katrusiak, Andrzej","Coupling of the lactone-ring conformation with crystal symmetry in 6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","Acta Crystallographica Section B","2002","58","1","125","133","10.1107/S0108768101017955","","","0.71073","MoKα","","0.1131","0.0642","","","0.1951","0.2248","","","","","","1.038","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103161","9.744","0.002","6.922","0.001","19.109","0.004","90","","94.44","0.03","90","","1285","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","BM0046","Budzianowski, Armand; Katrusiak, Andrzej","Coupling of the lactone-ring conformation with crystal symmetry in 6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin","Acta Crystallographica Section B","2002","58","1","125","133","10.1107/S0108768101017955","","","0.71073","MoKα","","0.1304","0.1202","","","0.3168","0.327","","","","","","1.363","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103162","19.363","","24.597","","15.937","","90","","108.95","","90","","7178.96","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","(?-cyclodextrin)2. [tridecanoic acid].19.5H2O","","- C97 H205 O91.5 -","- C272 H12 O199.64 -","- C272 H12 O199.64 -","","","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103163","19.316","","24.564","","15.935","","90","","108.9","","90","","7153.17","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","(?-cyclodextrin)2. [(Z)-tetradec-7-enoic acid]. 14.9H2O.","","- C98 H195.8 O86.9 -","- C224 H1.36 O180 -","- C224 H1.36 O180 -","","","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103164","6.044","","22.726","","17.025","","90","","94.033","","90","","2332.69","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,7,13,19,25-Pentathio[1-0.5](2,5)-thiophenophane","","- C20 H10 S10 -","- C20 H10 S10 -","- C80 H40 S40 -","4","1","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2103165","10.003","","16.231","","21.277","","89.98","","90.57","","90.31","","3454.28","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Meso-tetraphenylporphrinatothallium(III) cyanide","","- C45 H28 N5 Tl -","- C45 N5 Tl -","- C180 N20 Tl4 -","4","1","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103166","10.084","","16.34","","17.351","","89.89","","89.87","","89.98","","2858.96","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Br Cr N O2 P2 -","- C25 Br Cr N O2 P2 -","- C100 Br4 Cr4 N4 O8 P8 -","4","1","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103167","22.946","","14.728","","14.679","","90.02","","116.33","","89.94","","4446.09","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{[(tpa)Ni(II)(?-OH)2Ni(II)(tpa)](ClO4)2].2MeOH}","","- C38 H46 Cl2 N8 Ni2 O10 -","- C38 Cl2 N8 Ni2 O12 -","- C152 Cl8 N32 Ni8 O48 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103168","23.468","","10.13","","18.911","","90","","126.34","","90","","3621.38","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(benzonitrile-N)-tetrakis(μ^2^-trichloroacetato-O,O')di-copper(II)","","- C22 H10 Cl12 Cu2 N2 O8 -","- C22 Cl12 Cu2 N2 O8 -","- C88 Cl48 Cu8 N8 O32 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199498","2020-10-21","18:00:00",""
"2103169","20.103","","9.299","","20.023","","90.01","","116.92","","90.02","","3337.46","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Catena(bis((?2-thiocyanato-N,S)-2-methylpyridyl) cadmium(II)-catena(bis-((?2thiocyanato-N,S)-?-picolyl)cadmium(II))","","- C28 H28 Cd2 N8 S4 -","- C28 Cd2 N8 S4 -","- C112 Cd8 N32 S16 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103170","36.62","","5.498","","18.47","","89.98","","93.31","","90.01","","3712.49","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Tetrakis(hexylthio)tetrathiafulvalene","","- C30 H52 S8 -","- C30 S8 -","- C120 S32 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199498","2020-10-21","18:00:00",""
"2103171","25.815","","8.67","","19.42","","90.02","","99.5","","90.08","","4286.89","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","?2-2-Aminophenylthiolato)-(?2-hydrido)-decacarbonyl-tri-osmium","","- C16 H7 N O10 Os3 S -","- C16 N O10 Os3 S -","- C128 N8 O80 Os24 S8 -","8","1","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103172","14.223","","7.813","","13.813","","90.26","","111.26","","90","","1430.48","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[Nd(?3-C3H5)3.(?-C4H8O2)]","","- C13 H23 Nd O2 -","- C13 Nd O2 -","- C52 Nd4 O8 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103173","23","","8.568","","18.991","","90.02","","114.36","","89.99","","3409.26","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(5-chloro-o-(salicylideneaminomethyl)phenolato-O,O',N)manganese(IV) tetrahydrofuran solvate","","- C36 H36 Cl2 Mn N2 O6 -","- C36 Cl2 Mn N2 O6 -","- C144 Cl8 Mn4 N8 O24 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103174","12.99","","13.93","","20.11","","90.3","","94","","90.1","","3630","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H35 Cl2 P2 Rh -","- C42 Cl2 P2 Rh -","- C168 Cl8 P8 Rh4 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103175","22.177","","13.638","","18.663","","89.98","","119.12","","90","","4931.16","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,6-bis(salicylideneaminomethyl)-4-methylphenol and Hpz is pyrazole","","- C8 H16 N4 Ni4 O2 -","- C53 N8 Ni4 O7 -","- C212 N32 Ni16 O28 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103176","10.322","","17.864","","13.005","","90","","90.24","","90","","2398","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Ir N3 O4 -","- C27 Ir N3 O5 -","- C108 Ir4 N12 O20 -","4","1","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103177","15.571","","21.116","","23.187","","90","","90","","89.95","","7623.82","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","hexakis(2,3,6-tri-O-methyl)-alpha-cyclodextrin","","- C62 H110 O36 -","- C62 O35.5 -","- C248 O142 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2103178","7.246","","15.512","","23.838","","90","","90","","90.06","","2679.39","","","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","O-Methyl-neopyrrolomycin","","- C11 H6 Cl5 N O -","- C11 H6 Cl5 N O -","- C88 H48 Cl40 N8 O8 -","8","1","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199516","2020-10-21","18:00:00",""
"2103179","13.498","","8.834","","31.008","","90","","90","","89.97","","3697.44","","","","","","","","","","","","","6","C m c 21","C 2c -2","36","","(Hydrogen-tris(3,5-dimethylpyrazolyl)borate-N,N',N'')- (μ2-carbonato-O,O,O',O'')- di-copper(II)","","- C31 H44 B2 Cu2 N12 O3 -","- C31 H44 B2 Cu2 N12 O3 -","- C124 H176 B8 Cu8 N48 O12 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2103180","17.639","","15.172","","8.187","","90","","90","","90","","2191","","","","","","","","","","","","","4","F m m 2","F 2 -2","42","","bis-[(h5-pentamethylcyclopentadienyl)-tetrahydroborato]-uranium(IV)","","- C20 H38 B2 U -","- C20 H38 B2 U -","- C80 H152 B8 U4 -","4","0.25","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","189213","2020-10-21","18:00:00",""
"2103181","5.8847","","5.8847","","5.8847","","104.09","","104.09","","104.09","","181.512","","","","","","","","","","","","","5","R 3 m :R","P 3* -2","160","","1,3,5-Triaza-7-phospha-adamantane-7-oxide","","- C6 H12 N3 O P -","- C6 H12 N3 O P -","- C6 H12 N3 O P -","1","0.166667","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199516","2020-10-21","18:00:00",""
"2103182","6.0482","","6.0482","","6.0482","","100.9","","100.9","","100.9","","207.455","","","","","","","","","","","","","5","R 3 m :R","P 3* -2","160","","1,3,5-Triaza-7-phospha-adamantane-7-sulfide","","- C6 H12 N3 P S -","- C6 H12 N3 P S -","- C6 H12 N3 P S -","1","0.166667","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199516","2020-10-21","18:00:00",""
"2103183","8.735","","8.732","","31.163","","90","","90.01","","119.99","","2058.69","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- H12 Li Mo3 Na3 O18 -","- Li Mo2 Na3 O14 -","- Li6 Mo12 Na18 O84 -","6","0.333333","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103184","15.533","","16.225","","7.932","","90","","89.97","","90","","1999.05","","","","","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","Di-potassium trans-(dichloro-bis(glutarimidato)-palladium(II)) hydrate","","- C10 H21 Cl2 K2 N2 O8.5 Pd -","- C10 H22 Cl2 K2 N2 O9 Pd -","- C40 H88 Cl8 K8 N8 O36 Pd4 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2103185","22.409","","22.409","","12.216","","90","","90","","89.99","","6134.43","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","μ-Hydroxy-cyclooctadien(1,5)-rhodium(I)-Dimer [(μ-OH)Rh(COD-1,5)]2","","- C16 H26 O2 Rh2 -","- C16 H26 O2 Rh2 -","- C256 H416 O32 Rh32 -","16","1","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2103186","19.265","","19.265","","15.913","","90","","90","","90","","5905.95","","","","","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","Catena-(tetrakis(μ2-1,4-diazoniabicyclo(2.2.2)octane-1,4-dipropianato) di-zinc(II) tetraperchlorate","","- C48 H80 Cl4 N8 O32 Zn2 -","- C48 H80 Cl4 N8 O48 Zn2 -","- C192 H320 Cl16 N32 O192 Zn8 -","4","0.125","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199519","2020-10-21","18:00:00",""
"2103187","5.816","","5.816","","13.747","","90","","90","","90","","465.004","","","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Pyridine N-oxide","","- C5 H5 N O -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","warnings","has coordinates","249446","2020-10-21","18:00:00",""
"2103188","9.591","","9.591","","13.431","","90","","90","","90","","1235.48","","","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","2,2'-(Methylenedioxy)-bis(phenyl-isocyanide)","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199471","2020-10-21","18:00:00",""
"2103189","13.6054","","13.6054","","13.6054","","90","","90","","90","","2518.45","","","","","","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Bis[cis-cyclohexane tris(methylamine)zinc bis(trifluoromethyl-sulfonate) [(C6H9(NH2)3] Zn(CF3SO3)2","","- C14 H30 F6 N6 O6 S2 Zn -","- C14 H30 F6 N6 O6 S2 Zn -","- C56 H120 F24 N24 O24 S8 Zn4 -","4","0.333333","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2103190","6.024","","6.024","","6.024","","105.94","","105.94","","105.94","","187.069","","","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","1,3,5-Triaza-7-phospha-adamantane","","- C6 H12 N3 P -","- C6 H12 N3 P -","- C6 H12 N3 P -","1","0.166667","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2103191","22.59","","22.59","","15.97","","90","","90","","120","","7057.78","","","","","","","","","","","","","6","P 63/m","-P 6c","176","","trans-[Pt(CF3){N=C(Ph)OCH2CH2CH2}(PPh3)2]BF4. [PtC45.8H41F6.4NOBP2]Cl0.2","","?","- C47 F3 N O P2 Pt -","- C282 F18 N6 O6 P12 Pt6 -","6","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103192","15.53","","15.53","","12.529","","90","","90","","120","","2616.92","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Carbon tetrachloride-thiourea (1/3)","","- C4 H12 Cl4 N6 S3 -","- C4 Cl6 N3 S3 -","- C24 Cl36 N18 S18 -","6","0.333333","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103193","11.885","","11.885","","10.939","","90","","90","","120","","1338.16","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Adamantane-1,3-diol","","- C10 H16 O2 -","- C10 H16 O2 -","- C60 H96 O12 -","6","0.25","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2103194","10.393","","10.031","","8.089","","90","","90.66","","90","","843.24","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Bis(ethylenediammonium) hexachlororuthenate(III) monochloride monohydrate","","- C4 H22 Cl7 N4 O Ru -","- C4 H22 Cl7 N4 O Ru -","- C8 H44 Cl14 N8 O2 Ru2 -","2","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199498","2020-10-21","18:00:00",""
"2103195","8.293","","16.58","","13.465","","90","","90.29","","90","","1851.39","","","","","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C6 H5 N Na O6.5 S -","- C6 H5 N Na O6.5 S -","- C48 H40 N8 Na8 O52 S8 -","8","2","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","283803","2023-05-16","08:05:53",""
"2103196","15.467","","8.541","","12.84","","90","","92.01","","90","","1695.17","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","catena-(bis(Tetramethylammonium) (hexa(?2-cyano)-di-iodo-tri-cadmium) tetrachloroethene clathrate) {n(C6Cd3I2N62-), 2n(C4H12N+), n(C2Cl4)}","","- C6 Cd3 I2 N6 -","- C32.08 Cd6 Cl8 I3.504 N16 -","- C32.08 Cd6 Cl8 I3.504 N16 -","","","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103197","10.059","","9.278","","10.428","","90","","117.12","","90","","866.216","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","bis(cis-1,3-Cyclohexanediamine-N,N')-copper(ii) dinitrate","","- C12 H28 Cu N6 O6 -","- C12 H28 Cu N6 O6 -","- C24 H56 Cu2 N12 O12 -","2","0.25","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199781","2020-10-21","18:00:00",""
"2103198","17.305","","9.299","","10.297","","90","","93.7","","90","","1653.53","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Bis(?2-Carbonyl)-(?5-cyclopentadienyl)-(?5-pentamethyl-cyclopentadienyl) -cobalt-iridium","","- C17 H2 Co Ir O2 -","- C68 Co4 Ir4 O8 -","- C68 Co4 Ir4 O8 -","","","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103199","12.869","","7.378","","6.243","","90","","114.45","","90","","539.6","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Bis-guanidinium hexafluorotitanium","","- C2 H12 F6 N6 Ti -","- C2 H12 F6 N6 Ti -","- C4 H24 F12 N12 Ti2 -","2","0.25","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199516","2020-10-21","18:00:00",""
"2103200","13.26","","15.177","","15.764","","90","","110.97","","90","","2962.34","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","C60-fullerene 5,6,11,12-tetrahydro-5,12(1',2'):6,11(1'',2'') -dibenzenodibenzo(a,e)cyclo-octene benzene solvate","","- C106 H38 -","- C212 -","- C212 -","","","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103201","11.044","0.003","16.39","0.003","7.199","0.002","90","","103.8","0.02","90","","1265.5","0.6","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","catena-(Potassium cyanurate monohydrate)","","- C3 H4 K N3 O4 -","- C3 K N3 O4 -","- C24 K8 N24 O32 -","8","1","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199516","2020-10-21","18:00:00",""
"2103202","12.894","","18.666","","14.059","","90","","91.11","","90","","3383.08","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetrakis(dimethyldithiocarbamato)-tungsten(v) 7,7,8,8-tetracyanoquinodimethanide","","- C24 H28 N8 S8 W -","- C24 H28 N8 S8 W -","- C96 H112 N32 S32 W4 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2103203","9.941","","14.48","","18.55","","90","","101.98","","90","","2612.04","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 F6 N4 Ni O6 S2 -","- C22 F6 N4 Ni O6 S2 -","- C88 F24 N16 Ni4 O24 S8 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199498","2020-10-21","18:00:00",""
"2103204","30.834","","6.361","","17.283","","90","","123.26","","90","","2834.52","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(N,N'-Dibenzyl-N,N'-di(quinoline-2-methyl))-1,2-ethylenediamine","","- C36 H34 N4 -","- C36 N4 -","- C144 N16 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103205","16.632","","14.074","","16.872","","90","","92.98","","90","","3944.04","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Hexa-t-butyl 1,2,4,5-benzenehexacarboxylate","","- C36 H54 O12 -","- C36 H54 O12 -","- C144 H216 O48 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103206","9.208","","14.948","","16.233","","90","","90","","90","","2234.33","","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- Cl4 Fe H29 Mo3 N9 O S4 -","- Cl4 Fe H29 Mo3 N9 O S4 -","- Cl16 Fe4 H116 Mo12 N36 O4 S16 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2103208","15.412","","7.668","","13.038","","90","","90","","90","","1540.82","","","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","Pentacarbonyl(phenylisocyanide)rhenium Tetrafluoroborate","","- C12 H5 B F4 N O5 Re -","- C12 H5 B F4 N O5 Re -","- C48 H20 B4 F16 N4 O20 Re4 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2103209","15.494","","12.229","","12.873","","90","","90","","90","","2439.13","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Dichloro(6,13-(bis-2-hydroxyethyl)-6H,13H-tripyrido-[cd,fg,lm]- [1,2,4,7,9,10]heptaaza-pentadecine)iron(III) chloride","","- C23 H25 Cl3 Fe N7 O2 -","- C23 H25 Cl3 Fe N7 O2 -","- C92 H100 Cl12 Fe4 N28 O8 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2103210","18.344","","10.544","","7.202","","90","","90","","90","","1393.01","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H6 Fe2 O6 Se2 -","- C32 Fe8 O24 Se8 -","- C32 Fe8 O24 Se8 -","","","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103211","15.251","","15.251","","9.821","","90","","90","","90","","2284.3","","","","","","","","","","","","","3","P 42/m","-P 4c","84","","[Ni2(cyclam)2-p-xyl]ClO4.2H2O, (cyclam)2-p-xyl is ???'-bis(1,4,8,11- tetraazacyclotetradecan-6-yl)-p-xylene)","","?","- C28 N8 Ni2 -","- C56 N16 Ni4 -","2","0.25","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103212","11.522","","11.522","","7.933","","90","","90","","120","","912.061","","","","","","","","","","","","","6","P -3","-P 3","147","","","","- C12 H10 B Mn N6 O3 -","- C12 B Mn N6 O3 -","- C24 B2 Mn2 N12 O6 -","2","0.333333","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199499","2020-10-21","18:00:00",""
"2103213","11.464","","11.464","","8.091","","90","","90","","120","","920.885","","","","","","","","","","","","","6","P -3","-P 3","147","","","","- C12 H10 B N6 O3 Tc -","- C12 H13 B N6 O3 Tc -","- C24 H26 B2 N12 O6 Tc2 -","2","0.333333","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199499","2020-10-21","18:00:00",""
"2103214","15.447","","15.447","","23.026","","90","","90","","120","","4758.14","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H42 In N3 O9 -","- C27 In N3 O12 -","- C162 In6 N18 O72 -","6","0.333333","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103215","13.619","","13.619","","19.204","","90","","90","","120","","3084.7","","","","","","","","","","","","","7","P 63/m","-P 6c","176","","[Tris(ruthenium(III))(mu3-O)hexatris(mu-benzoate)tris(N-pyridine)] -(hexafluorophosphate)","","?","- C57 H45 F6 N3 O13 P Ru3 -","- C114 H90 F12 N6 O26 P2 Ru6 -","2","0.166667","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","191020","2020-10-21","18:00:00",""
"2103216","7.162","","6.32","","13.647","","90","","97.6","","90","","612.289","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","cis-transoid-cis-Cyclobuta(1,2-a;3,4-a')di-indene","","- C18 H16 -","- C18 H16 -","- C36 H32 -","2","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2103217","9.134","","12.078","","27.74","","90","","92.39","","90","","3057.63","","","","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H51 O S3 Ta -","- C26 H51 O S3 Ta -","- C104 H204 O4 S12 Ta4 -","4","1","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2103218","11.696","","10.45","","11.176","","90","","95.14","","90","","1360.47","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tetra-t-butylbenzenetetracarboxylate","","- C26 H38 O8 -","- C26 O8 -","- C52 O16 -","2","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199498","2020-10-21","18:00:00",""
"2103219","21.173","","13.096","","10.826","","90","","102.07","","90","","2935.49","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","N,N'-dibenzyl-4-methyl-4-azaheptane-1,7-diamine) (dimethylformamide)(BF4)2","","- C24 H38 B2 F8 N4 O Pd -","- C24 B2 F8 N4 O Pd -","- C96 B8 F32 N16 O4 Pd4 -","4","1","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103220","5.897","","10.578","","10.895","","90","","92.83","","90","","678.785","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(2-(dimethylphosphino)ethane-1-thiolato)Ni(II)","","- C8 H20 Ni P2 S2 -","- C8 H20 Ni P2 S2 -","- C16 H40 Ni2 P4 S4 -","2","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2103221","18.377","","7.563","","15.642","","90","","92.923","","90","","2171.18","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 N2 O11 Sn2 -","- C14 N2 O11 Sn2 -","- C56 N8 O44 Sn8 -","4","1","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199499","2020-10-21","18:00:00",""
"2103222","11.336","","16.871","","7.287","","90","","80.748","","90","","1375.51","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Methyl-4-(morpholinomethyl)-2H-1-benzothiopyran-2-one","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C60 H68 N4 O8 S4 -","4","1","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2103223","16.763","","14.188","","14.275","","90","","90","","90","","3395.07","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","(μ2-α,α'-bis((Di-2-pyridyl)methylamino)-m-xylene)-bis(μ2-hydroxo)- (μ2-perchlorato-O,O')-di-copper(ii) perchlorate monohydrate","","- C30 H28 Cl2 Cu2 N6 O11 -","- C30 H28 Cl2 Cu2 N6 O11 -","- C120 H112 Cl8 Cu8 N24 O44 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199518","2020-10-21","18:00:00",""
"2103224","9.738","","23.63","","13.584","","90","","90","","90","","3125.8","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Trichloro-bis(3-methylimidazole-2-thione-S)Sb(III)","","- C8 H12 Cl3 N4 S2 Sb -","- C8 Cl3 N4 S2 Sb -","- C64 Cl24 N32 S16 Sb8 -","8","1","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199499","2020-10-21","18:00:00",""
"2103225","10.043","0.003","17.131","0.004","12.299","0.004","90","","107.95","0.03","90","","2013","1.1","85","0.1","85","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,4-Dinitroaniline-sulpholane complex","","- C16 H18 N6 O10 S -","- C16 H18 N6 O10 S -","- C64 H72 N24 O40 S4 -","4","1","LC0040","Zaleski, J.; Daszkiewicz, Z.; Kyzioł, J. B.","Structure of <i>N</i>,4-dinitroaniline and its complex with sulfolane at 85K; on the proton donor‒acceptor affinity of the primary nitramine (HNNO~2~) group","Acta Crystallographica Section B","2002","58","1","109","115","10.1107/S0108768101016548","","","0.71073","MoKα","","0.0704","0.053","","","0.1567","0.165","","","","","","1.187","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103226","6.947","0.001","7.773","0.002","13.836","0.003","84.25","0.03","79.77","0.03","81.27","0.03","724.7","0.3","85","0.1","85","0.1","","","","","","","","4","P -1","-P 1","2","","N,4-Dinitroaniline","","- C6 H5 N3 O4 -","- C6 H5 N3 O4 -","- C24 H20 N12 O16 -","4","2","LC0040","Zaleski, J.; Daszkiewicz, Z.; Kyzioł, J. B.","Structure of <i>N</i>,4-dinitroaniline and its complex with sulfolane at 85K; on the proton donor‒acceptor affinity of the primary nitramine (HNNO~2~) group","Acta Crystallographica Section B","2002","58","1","109","115","10.1107/S0108768101016548","","","0.71073","MoKα","","0.0349","0.0313","","","0.0874","0.0899","","","","","","1.052","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103227","5.0825","0.0001","13.0448","0.0003","20.5648","0.0006","90","","92.7786","0.0009","90","","1361.85","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(4'-Iodophenylsulfonyl)-4-nitroaniline","","- C12 H9 I N2 O4 S -","- C12 H9 I N2 O4 S -","- C48 H36 I4 N8 O16 S4 -","4","1","NA0127","Kelly, Craig J.; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Iodo-nitroarenesulfonamides: interplay of hard and soft hydrogen bonds, I···O interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2002","58","1","94","108","10.1107/S0108768101016858","","","0.71073","MoKα","","0.0436","0.0367","","","0.0915","0.096","","","","","","1.037","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103228","5.0246","0.0001","13.0735","0.0004","20.884","0.0006","90","","96.835","0.0013","90","","1362.1","0.06","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","N-(4'-Nitrophenylsulfonyl)-4-iodoaniline","","- C12 H9 I N2 O4 S -","- C12 H9 I N2 O4 S -","- C48 H36 I4 N8 O16 S4 -","4","1","NA0127","Kelly, Craig J.; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Iodo-nitroarenesulfonamides: interplay of hard and soft hydrogen bonds, I···O interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2002","58","1","94","108","10.1107/S0108768101016858","","","0.71073","MoKα","","0.0304","0.0279","","","0.0716","0.0836","","","","","","1.118","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103229","18.1057","0.0004","11.3671","0.0003","11.1174","0.0003","90","","113.272","0.0016","90","","2101.91","0.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","N,N-Bis(3'-nitrophenylsulfonyl)-4-iodoaniline","","- C18 H12 I N3 O8 S2 -","- C18 H12 I N3 O8 S2 -","- C72 H48 I4 N12 O32 S8 -","4","0.5","NA0127","Kelly, Craig J.; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Iodo-nitroarenesulfonamides: interplay of hard and soft hydrogen bonds, I···O interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2002","58","1","94","108","10.1107/S0108768101016858","","","0.71073","MoKα","","0.0298","0.026","","","0.0634","0.0653","","","","","","1.054","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103230","7.6482","0.0002","8.4274","0.0003","10.879","0.0003","88.8029","0.0012","75.8302","0.0012","83.5777","0.0011","675.58","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","N-(4'-Iodophenylsulfonyl)-3-nitroaniline","","- C12 H9 I N2 O4 S -","- C12 H9 I N2 O4 S -","- C24 H18 I2 N4 O8 S2 -","2","1","NA0127","Kelly, Craig J.; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Iodo-nitroarenesulfonamides: interplay of hard and soft hydrogen bonds, I···O interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2002","58","1","94","108","10.1107/S0108768101016858","","","0.71073","MoKα","","0.0401","0.0329","","","0.0764","0.0796","","","","","","1.041","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103231","5.4333","0.0002","10.9336","0.0005","12.5713","0.0007","95.5668","0.0018","93.0809","0.0017","101.423","0.0017","726.52","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","N-(4'-Iodophenylsulfonyl)-4-methyl-2-nitroaniline","","- C13 H11 I N2 O4 S -","- C13 H11 I N2 O4 S -","- C26 H22 I2 N4 O8 S2 -","2","1","NA0127","Kelly, Craig J.; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Iodo-nitroarenesulfonamides: interplay of hard and soft hydrogen bonds, I···O interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2002","58","1","94","108","10.1107/S0108768101016858","","","0.71073","MoKα","","0.0393","0.032","","","0.0744","0.0818","","","","","","1.078","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103232","8.1228","0.0002","13.0723","0.0002","14.4738","0.0003","113.471","0.0011","100.718","0.0009","97.3706","0.001","1349.76","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","N-(4'-Iodophenylsulfonyl)-2-nitroaniline","","- C12 H9 I N2 O4 S -","- C12 H9 I N2 O4 S -","- C48 H36 I4 N8 O16 S4 -","4","2","NA0127","Kelly, Craig J.; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Iodo-nitroarenesulfonamides: interplay of hard and soft hydrogen bonds, I···O interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2002","58","1","94","108","10.1107/S0108768101016858","","","0.71073","MoKα","","0.0506","0.0434","","","0.1136","0.1195","","","","","","0.996","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103233","11.497","0.0004","10.6563","0.0004","11.9407","0.0004","90","","92.208","0.0017","90","","1461.83","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis-(2-naphthoato)-1,4,8,11-tetraazacyclotetradecanenickel(II)","","- C32 H38 N4 Ni O4 -","- C32 H38 N4 Ni O4 -","- C64 H76 N8 Ni2 O8 -","2","0.5","NA0129","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","[Ni(cyclam)(OCO<i>R</i>)~2~], a finite molecular complex: hydrogen-bonded supramolecular aggregation in one, two and three dimensions, and coordination polymers in one and two dimensions","Acta Crystallographica Section B","2002","58","1","78","93","10.1107/S010876810101850X","","","0.71073","MoKα","","0.0363","0.0297","","","0.0725","0.0765","","","","","","1.029","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103234","7.7663","0.0003","9.7845","0.0006","10.4026","0.0007","99.826","0.002","97.966","0.002","108.388","0.002","723.3","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis-(3,5-dinitrobenzoato)-1,4,8,11-tetraazacyclotetradecanenickel(II)","","- C24 H30 N8 Ni O12 -","- C24 H30 N8 Ni O12 -","- C24 H30 N8 Ni O12 -","1","0.5","NA0129","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","[Ni(cyclam)(OCO<i>R</i>)~2~], a finite molecular complex: hydrogen-bonded supramolecular aggregation in one, two and three dimensions, and coordination polymers in one and two dimensions","Acta Crystallographica Section B","2002","58","1","78","93","10.1107/S010876810101850X","","","0.71073","MoKα","","0.0578","0.0421","","","0.0887","0.0968","","","","","","1.055","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103235","12.8106","0.0003","8.4187","0.0002","12.8397","0.0004","90","","114.254","0.001","90","","1262.51","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis-(4-nitrobenzoato)-1,4,8,11-tetraazacyclotetradecanenickel(II)","","- C24 H32 N6 Ni O8 -","- C24 H32 N6 Ni O8 -","- C48 H64 N12 Ni2 O16 -","2","0.5","NA0129","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","[Ni(cyclam)(OCO<i>R</i>)~2~], a finite molecular complex: hydrogen-bonded supramolecular aggregation in one, two and three dimensions, and coordination polymers in one and two dimensions","Acta Crystallographica Section B","2002","58","1","78","93","10.1107/S010876810101850X","","","0.71073","MoKα","","0.0394","0.0303","","","0.075","0.0797","","","","","","1.038","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103236","8.518","0.0003","13.2496","0.0005","10.772","0.0004","90","","101.161","0.002","90","","1192.74","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis-(3-hydroxybenzoato)-1,4,8,11-tetraazacyclotetradecanenickel(II)","","- C24 H34 N4 Ni O6 -","- C24 H34 N4 Ni O6 -","- C48 H68 N8 Ni2 O12 -","2","0.5","NA0129","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","[Ni(cyclam)(OCO<i>R</i>)~2~], a finite molecular complex: hydrogen-bonded supramolecular aggregation in one, two and three dimensions, and coordination polymers in one and two dimensions","Acta Crystallographica Section B","2002","58","1","78","93","10.1107/S010876810101850X","","","0.71073","MoKα","","0.0467","0.0319","","","0.0702","0.0759","","","","","","1.041","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103237","18.443","0.0004","8.4149","0.0002","16.8262","0.0004","90","","107.877","0.0014","90","","2485.27","0.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis-(4-aminobenzoato)-1,4,8,11-tetraazacyclotetradecanenickel(II)","","- C24 H36 N6 Ni O4 -","- C24 H36 N6 Ni O4 -","- C96 H144 N24 Ni4 O16 -","4","0.5","NA0129","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","[Ni(cyclam)(OCO<i>R</i>)~2~], a finite molecular complex: hydrogen-bonded supramolecular aggregation in one, two and three dimensions, and coordination polymers in one and two dimensions","Acta Crystallographica Section B","2002","58","1","78","93","10.1107/S010876810101850X","","","0.71073","MoKα","","0.0366","0.0283","","","0.0696","0.0738","","","","","","1.05","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103238","18.4057","0.0008","9.6927","0.0004","13.4648","0.0005","90","","96.724","0.002","90","","2385.61","0.17","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","[Aqua-(5-hydroxyisophthalato)-1,4,8,11- tetraazacyclotetradecanenickel(II)] tetrahydrate","","- C18 H38 N4 Ni O10 -","- C18 H38 N4 Ni O10 -","- C72 H152 N16 Ni4 O40 -","4","1","NA0129","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","[Ni(cyclam)(OCO<i>R</i>)~2~], a finite molecular complex: hydrogen-bonded supramolecular aggregation in one, two and three dimensions, and coordination polymers in one and two dimensions","Acta Crystallographica Section B","2002","58","1","78","93","10.1107/S010876810101850X","","","0.71073","MoKα","","0.0397","0.0344","","","0.0782","0.0817","","","","","","1.031","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103239","16.2155","0.0004","16.0404","0.0006","8.8937","0.0003","90","","118.49","0.0016","90","","2033.14","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly[terephthalato-1,4,8,11- -tetraazacyclotetradecanenickel(II)] monohydrate","","- C18 H30 N4 Ni O5 -","- C18 H30 N4 Ni O5 -","- C72 H120 N16 Ni4 O20 -","4","0.5","NA0129","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","[Ni(cyclam)(OCO<i>R</i>)~2~], a finite molecular complex: hydrogen-bonded supramolecular aggregation in one, two and three dimensions, and coordination polymers in one and two dimensions","Acta Crystallographica Section B","2002","58","1","78","93","10.1107/S010876810101850X","","","0.71073","MoKα","","0.0888","0.0515","","","0.1155","0.1471","","","","","","1.067","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103240","10.8295","0.0003","16.9416","0.0005","14.9596","0.0005","90","","93.626","0.0013","90","","2739.13","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H79.72 Cl2 N12 Ni3 O18.86 -","- C40 H78 Cl2 N12 Ni3 O18.86 -","- C80 H156 Cl4 N24 Ni6 O37.72 -","2","0.5","NA0129","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","[Ni(cyclam)(OCO<i>R</i>)~2~], a finite molecular complex: hydrogen-bonded supramolecular aggregation in one, two and three dimensions, and coordination polymers in one and two dimensions","Acta Crystallographica Section B","2002","58","1","78","93","10.1107/S010876810101850X","","","0.71073","MoKα","","0.0437","0.0342","","","0.0841","0.0904","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103241","17.418","0.003","12.015","0.002","19.841","0.003","90","","95.59","0.02","90","","4132.5","1.2","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-chloro-2'-hydroxybiphenyl","4-chloro-2'-biphenylol","","- C12 H9 Cl O -","- C12 H9 Cl O -","- C192 H144 Cl16 O16 -","16","4","NS0006","Lehmler, Hans-Joachim; Robertson, Larry W.; Parkin, Sean; Brock, Carolyn Pratt","Z' = 4 structure without obvious pseudosymmetry: implications for the formation of solid-state compounds","Acta Crystallographica, Section B: Structural Science","2002","58","1","140","147","10.1107/s0108768101018043","","","0.71073","MoKα","","0.113","0.049","","","0.097","0.112","","","","","","1.16","","","","has coordinates,has Fobs","210949","2020-10-21","18:00:00",""
"2103242","17.211","0.003","11.962","0.002","19.621","0.003","90","","95.95","0.02","90","","4017.8","1.2","142","1","142","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-chloro-2'-hydroxybiphenyl","4-chloro-2'-biphenylol","","- C12 H9 Cl O -","- C12 H9 Cl O -","- C192 H144 Cl16 O16 -","16","4","NS0006","Lehmler, Hans-Joachim; Robertson, Larry W.; Parkin, Sean; Brock, Carolyn Pratt","Z' = 4 structure without obvious pseudosymmetry: implications for the formation of solid-state compounds","Acta Crystallographica, Section B: Structural Science","2002","58","1","140","147","10.1107/s0108768101018043","","","0.71073","MoKα","","0.097","0.045","","","0.068","0.08","","","","","","0.99","","","","has coordinates,has Fobs","210949","2020-10-21","18:00:00",""
"2103243","9.92009","0.00007","14.5103","0.0001","9.13585","0.00007","90.4769","0.0004","111.672","0.0004","89.9877","0.0006","1222.04","0.016","295","","295","","","","","","","","","4","P -1","-P 1","2","tetrakis(trimethylstannyl)silane)","","","- C12 H36 Si Sn4 -","- C18 H54 Si Sn4 -","- C36 H108 Si2 Sn8 -","2","1","OS0078","Dinnebier, Robert E.; Bernatowicz, Piotr; Helluy, Xavier; Sebald, Angelika; Wunschel, Markus; Fitch, Andy; van Smaalen, Sander","Structure of compounds <i>E</i>(SnMe~3~)~4~ (<i>E</i> = Si, Ge) as seen by high-resolution X-ray powder diffraction and solid-state NMR","Acta Crystallographica Section B","2002","58","1","52","61","10.1107/S0108768101016688","","","0.491213","synchrotron","","","","","","","","","","1.558","","","","","","","has coordinates","189073","2020-10-21","18:00:00",""
"2103244","9.94457","0.00005","14.52927","0.00008","9.16021","0.00005","90.5339","0.0003","111.731","0.0003","90.0049","0.0004","1229.41","0.012","295","","295","","","","","","","","","4","P -1","-P 1","2","tetrakis(trimethylstannyl)germane)","","","- C12 H36 Ge Sn4 -","- C18 H54 Ge Sn4 -","- C36 H108 Ge2 Sn8 -","2","1","OS0078","Dinnebier, Robert E.; Bernatowicz, Piotr; Helluy, Xavier; Sebald, Angelika; Wunschel, Markus; Fitch, Andy; van Smaalen, Sander","Structure of compounds <i>E</i>(SnMe~3~)~4~ (<i>E</i> = Si, Ge) as seen by high-resolution X-ray powder diffraction and solid-state NMR","Acta Crystallographica Section B","2002","58","1","52","61","10.1107/S0108768101016688","","","0.491213","synchrotron","","","","","","","","","","0.869","","","","","","","has coordinates","189073","2020-10-21","18:00:00",""
"2103245","10.211","0.003","10.211","0.003","5.3064","0.001","90","0.001","90","0.001","90","0.001","553.3","0.2","295","","","","","","","","","","","1","P -4 21 m","P -4 2ab","113","","","","- Ta -","- Ta -","- Ta30 -","30","3.75","OS0079","Arakcheeva, Alla; Chapuis, Gervais; Grinevitch, Vladimir","The self-hosting structure of β-Ta","Acta Crystallographica Section B","2002","58","1","1","7","10.1107/S0108768101017918","","","0.71069","MoKα","","0.1663","0.0566","","","0.0258","0.0298","","","","3.64","3.64","3.88","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103246","6.234","0.001","10.934","0.002","16.974","0.002","84.98","0.01","81.29","0.02","77.1","0.02","1113.1","0.3","","","293","2","","","","","","","","4","P -1","-P 1","2","DHPC.26X","1,1'-bis-(4-hydroxyphenyl)cyclohexane and 2,6-xylidine","","- C26 H31 N O2 -","- C26.035 H31 N O2 -","- C52.07 H62 N2 O4 -","2","1","AN0588","Nassimbeni, Luigi R.; Su, Hong","Inclusion compounds of a diol host with xylidines: controlled stoichiometries","Acta Crystallographica Section B","2002","58","2","251","259","10.1107/S010876810101881X","","","0.7107","MoKα","","0.1072","0.0557","","","0.137","0.1849","","","","","","1.091","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2103247","7.8594","0.0003","10.015","0.001","17.169","0.001","78.909","0.002","85.161","0.001","71.238","0.001","1255.33","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","DHPC.26X","1,1'-bis-(4-hydroxyphenyl)cyclohexane and 2,6-xylidine","","- C30 H36.5 N1.5 O2 -","- C30 H31 N1.5 O2 -","- C60 H62 N3 O4 -","2","1","AN0588","Nassimbeni, Luigi R.; Su, Hong","Inclusion compounds of a diol host with xylidines: controlled stoichiometries","Acta Crystallographica Section B","2002","58","2","251","259","10.1107/S010876810101881X","","","0.71069","MoKα","","0.1128","0.056","","","0.1269","0.1487","","","","","","1.038","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2103248","7.885","0.001","10.026","0.001","43.761","0.003","94.661","0.001","91.539","0.002","109.02","0.01","3254.6","0.6","","","173","2","","","","","","","","4","P -1","-P 1","2","DHPC.2.5(26X)","1,1'-bis-(4-hydroxyphenyl)cyclohexane and 2,3-xylidine","","- C38 H47.5 N2.5 O2 -","- C38 H47.5 N2.5 O2 -","- C152 H190 N10 O8 -","4","2","AN0588","Nassimbeni, Luigi R.; Su, Hong","Inclusion compounds of a diol host with xylidines: controlled stoichiometries","Acta Crystallographica Section B","2002","58","2","251","259","10.1107/S010876810101881X","","","0.71069","MoKα","","0.2239","0.1885","","","0.5312","0.5647","","","","","","2.5","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103249","9.807","0.001","25.464","0.002","29.842","0.003","90","","98.28","0.01","90","","7374.6","1.2","","","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DHPC.3(26X)","1,1'-bis-(4-hydroxyphenyl)cyclohexane and 2,6-xylidine","","- C42 H53 N3 O2 -","- C42 H53 N3 O2 -","- C336 H424 N24 O16 -","8","2","AN0588","Nassimbeni, Luigi R.; Su, Hong","Inclusion compounds of a diol host with xylidines: controlled stoichiometries","Acta Crystallographica Section B","2002","58","2","251","259","10.1107/S010876810101881X","","","0.71069","MoKα","","0.1499","0.0862","","","0.1995","0.2338","","","","","","1.059","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103250","18.1704","0.001","12.2744","0.001","16.2036","0.001","90","","95.3","0.03","90","","3598.5","0.5","","","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DHPC.0.5(23X)","1,1'-bis-(4-hydroxyphenyl)cyclohexane and 2,3-xylidine","","- C22 H25.5 N0.5 O2 -","- C22 H25.5 N0.5 O2 -","- C176 H204 N4 O16 -","8","1","AN0588","Nassimbeni, Luigi R.; Su, Hong","Inclusion compounds of a diol host with xylidines: controlled stoichiometries","Acta Crystallographica Section B","2002","58","2","251","259","10.1107/S010876810101881X","","","0.71069","MoKα","","0.0508","0.0349","","","0.0826","0.0904","","","","","","1.052","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2103251","6.3593","0.0003","10.8368","0.0005","21.7366","0.0011","93.429","0.003","91.1","0.003","106.912","0.003","1429.57","0.12","","","173","2","","","","","","","","4","P -1","-P 1","2","DHPC.2(23X)","1,1'-bis-(4-hydroxyphenyl)cyclohexane and 2,3-xylidine","","- C34 H42 N2 O2 -","- C34 H42 N2 O2 -","- C68 H84 N4 O4 -","2","1","AN0588","Nassimbeni, Luigi R.; Su, Hong","Inclusion compounds of a diol host with xylidines: controlled stoichiometries","Acta Crystallographica Section B","2002","58","2","251","259","10.1107/S010876810101881X","","","0.71069","MoKα","","0.0694","0.0448","","","0.1069","0.12","","","","","","1.027","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103252","10.8979","0.0005","12.5017","0.0007","15.1701","0.0007","106.51","0.004","99.895","0.003","102.559","0.002","1872.93","0.17","","","173","2","","","","","","","","4","P -1","-P 1","2","DHPC.0.5(34X).water","1,1'-bis-(4-hydroxyphenyl)cyclohexane and 3,4-xylidine, water","","- C22 H27.5 N0.5 O3 -","- C22 H27.5 N0.5 O3 -","- C88 H110 N2 O12 -","4","2","AN0588","Nassimbeni, Luigi R.; Su, Hong","Inclusion compounds of a diol host with xylidines: controlled stoichiometries","Acta Crystallographica Section B","2002","58","2","251","259","10.1107/S010876810101881X","","","0.71069","MoKα","","0.1311","0.0654","","","0.1232","0.1487","","","","","","1.031","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103253","34.965","0.001","6.2546","0.0003","20.2035","0.0008","90","","101.577","0.001","90","","4328.5","0.3","","","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DHPC.34X","1,1'-bis-(4-hydroxyphenyl)cyclohexane and 3,4-xylidine","","- C26 H31 N O2 -","- C26 H31 N O2 -","- C208 H248 N8 O16 -","8","1","AN0588","Nassimbeni, Luigi R.; Su, Hong","Inclusion compounds of a diol host with xylidines: controlled stoichiometries","Acta Crystallographica Section B","2002","58","2","251","259","10.1107/S010876810101881X","","","0.71069","MoKα","","0.1468","0.1043","","","0.2539","0.2823","","","","","","1.157","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103254","6.327","0.001","10.72","0.002","16.92","0.004","96.481","0.015","100.094","0.017","99.827","0.014","1101.1","0.4","","","293","2","","","","","","","","4","P -1","-P 1","2","DHPC.35X","1,1'-bis-(4-hydroxyphenyl)cyclohexane and 3,5-xylidine","","- C26 H31 N O2 -","- C26 H31 N O2 -","- C52 H62 N2 O4 -","2","1","AN0588","Nassimbeni, Luigi R.; Su, Hong","Inclusion compounds of a diol host with xylidines: controlled stoichiometries","Acta Crystallographica Section B","2002","58","2","251","259","10.1107/S010876810101881X","","","0.71069","MoKα","","0.1351","0.0439","","","0.0927","0.1374","","","","","","1.109","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103255","27.565","0.01","38.624","0.016","10.748","0.004","93.49","0.03","90.9","0.03","117.15","0.03","10151","7","310","2","310","2","","","","","","","","3","P 1","P 1","1","cholestrol","","","- C27 H46 O -","- C27 H46 O -","- C432 H736 O16 -","16","16","BK0099","Hsu, Leh-Yeh; Kampf, Jeff W.; Nordman, Christer E.","Structure and pseudosymmetry of cholesterol at 310K","Acta Crystallographica Section B","2002","58","2","260","264","10.1107/S0108768101018729","","","0.71073","MoKα(CCD),CuKα(Pbar)","","0.068","0.0637","","","0.0943","0.0955","","","","","","1.993","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103256","23.4782","","23.4857","","5.5171","","90","","90","","90","","3042.14","","293","","","","","","","","","","","4","C 2 2 2","C 2 2","21","","","","- Bi Co2 O8.25 Sr3 -","- Bi Co2 O7.5 Sr3 -","- Bi16 Co32 O120 Sr48 -","16","2","CK0008","Perez, O.; Masset, A. C.; Leligny, H.; Baldinozzi, G.; Pelloquin, D.; Dutheil, M.","Single-crystal study of the <i>m</i> = 2 tubular cobalt oxide, Bi~4~Sr~12~Co~8~O~30{-~δ}","Acta Crystallographica Section B","2002","58","2","191","197","10.1107/S0108768101018444","","","0.7107","MoKα","","0.0592","0.0592","","","0.049","0.049","","","","2.66","2.66","2.66","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2103257","3.3065","","5.7972","","22.9555","","90","","90","","90","","440.021","","","","","","","","","","","","","3","","","","","","","- La1.14 Nb S3.14 -","","","4","","CK0009","Jobst, Andreas; van Smaalen, Sander","Intersubsystem chemical bonds in the misfit layer compounds (LaS)~1.13~TaS~2~ and (LaS)~1.14~NbS~2~","Acta Crystallographica Section B","2002","58","2","179","190","10.1107/S0108768101019280","","","0.71073","MoKα","","0.091","0.0481","","0.0858","0.0804","","","","2.84","2.28","2.28","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2103258","3.2923","0.0001","5.7776","0.0002","23.013","0.002","90","","90","","90","","437.74","0.04","","","","","","","","","","","","3","","","","","","","- La1.13 S3.13 Ta -","","","4","","CK0009","Jobst, Andreas; van Smaalen, Sander","Intersubsystem chemical bonds in the misfit layer compounds (LaS)~1.13~TaS~2~ and (LaS)~1.14~NbS~2~","Acta Crystallographica Section B","2002","58","2","179","190","10.1107/S0108768101019280","","","0.71073","MoKα","","0.0722","0.036","","0.072","0.0677","","","","2.48","1.91","1.91","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2103259","5.253","0.001","26.748","0.005","15.621","0.003","90","","90","","90","","2194.9","0.7","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid diamide","","- C22 H24 N2 O8 -","- C22 H24 N2 O8 -","- C88 H96 N8 O32 -","4","0.5","NA0128","Rychlewska, Urszula; Warżajtis, Beata","Isostructuralism in a series of methylester/methylamide derivatives of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyl tartaric acid; inclusion properties and guest-dependent homeotypism of the crystals of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid diamide","Acta Crystallographica Section B","2002","58","2","265","271","10.1107/S0108768101019334","","","1.54178","CuKα","","0.0811","0.0485","","","0.1272","0.1392","","","","","","1.062","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103260","10.282","0.002","18.024","0.004","5.136","0.001","90","","90","","90","","951.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid N,N'-dimethyldiamide","","- C20 H20 N2 O6 -","- C20 H20 N2 O6 -","- C40 H40 N4 O12 -","2","0.5","NA0128","Rychlewska, Urszula; Warżajtis, Beata","Isostructuralism in a series of methylester/methylamide derivatives of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyl tartaric acid; inclusion properties and guest-dependent homeotypism of the crystals of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid diamide","Acta Crystallographica Section B","2002","58","2","265","271","10.1107/S0108768101019334","","","0.71073","MoKα","","0.0813","0.0452","","","0.1253","0.135","","","","","","1.083","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103261","27.898","0.006","5.145","0.001","15.648","0.003","90","","93.49","0.03","90","","2241.9","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid diamide","","- C23 H21 N3 O6 -","- C23 H21 N3 O6 -","- C92 H84 N12 O24 -","4","1","NA0128","Rychlewska, Urszula; Warżajtis, Beata","Isostructuralism in a series of methylester/methylamide derivatives of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyl tartaric acid; inclusion properties and guest-dependent homeotypism of the crystals of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid diamide","Acta Crystallographica Section B","2002","58","2","265","271","10.1107/S0108768101019334","","","1.54178","CuKα","","0.1384","0.0459","","","0.1074","0.1389","","","","","","1.002","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103262","9.462","0.001","17.653","0.003","5.662","0.001","90","","90","","90","","945.7","0.3","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","Dimethyl (R,R)-(-)-O,O'-Dibenzoyltartrate","","- C20 H18 O8 -","- C20 H18 O8 -","- C40 H36 O16 -","2","0.5","NA0128","Rychlewska, Urszula; Warżajtis, Beata","Isostructuralism in a series of methylester/methylamide derivatives of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyl tartaric acid; inclusion properties and guest-dependent homeotypism of the crystals of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid diamide","Acta Crystallographica Section B","2002","58","2","265","271","10.1107/S0108768101019334","","","1.54178","CuKα","","0.0265","0.0252","","","0.0703","0.0718","","","","","","1.146","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103263","9.898","0.002","17.756","0.004","5.264","0.001","90","","90","","90","","925.1","0.3","160","2","160","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid mono(N-methylamide) monomethylester","","- C20 H19 N O7 -","- C20 H19 N O7 -","- C40 H38 N2 O14 -","2","0.5","NA0128","Rychlewska, Urszula; Warżajtis, Beata","Isostructuralism in a series of methylester/methylamide derivatives of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyl tartaric acid; inclusion properties and guest-dependent homeotypism of the crystals of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid diamide","Acta Crystallographica Section B","2002","58","2","265","271","10.1107/S0108768101019334","","","0.71073","MoKα","","0.0837","0.0832","","","0.1677","0.1679","","","","","","1.135","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103264","8.878","0.0011","9.613","0.0013","10.102","0.0013","73.665","0.007","66.433","0.008","79.141","0.006","755.51","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1,2-Bis-(4'-pyridyl)ethene‒racemic tartaric acid (1/1)","","- C16 H16 N2 O6 -","- C16 H15.745 N2 O6 -","- C32 H31.49 N4 O12 -","2","1","NA0130","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Chiral <i>versus</i> racemic building blocks in supramolecular chemistry: tartrate salts of organic diamines","Acta Crystallographica Section B","2002","58","2","272","288","10.1107/S0108768101019632","","","0.71073","MoKα","","0.0917","0.0523","","","0.1237","0.1442","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103265","8.6195","0.0003","9.5654","0.0004","9.8727","0.0004","103.162","0.0018","109.912","0.0018","90.262","0.003","742.22","0.05","150","2","150","2","","","","","","","","4","P 1","P 1","1","","1,2-Bis-(4'-pyridyl)ethene‒(2R,3R)-tartaric acid (1/)","","- C32 H32 N4 O12 -","- C32 H32 N4 O12 -","- C32 H32 N4 O12 -","1","1","NA0130","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Chiral <i>versus</i> racemic building blocks in supramolecular chemistry: tartrate salts of organic diamines","Acta Crystallographica Section B","2002","58","2","272","288","10.1107/S0108768101019632","","","0.71073","MoKα","","0.1086","0.0491","","","0.111","0.1382","","","","","","0.972","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103266","4.7847","0.0002","10.2505","0.0005","13.8412","0.0008","99.434","0.002","91.252","0.002","96.163","0.002","665.26","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Bipyridyl‒racemic tartaric acid (1/1)","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C28 H28 N4 O12 -","2","1","NA0130","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Chiral <i>versus</i> racemic building blocks in supramolecular chemistry: tartrate salts of organic diamines","Acta Crystallographica Section B","2002","58","2","272","288","10.1107/S0108768101019632","","","0.71073","MoKα","","0.0921","0.0475","","","0.1133","0.1338","","","","","","0.983","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103267","10.443","0.0013","4.4665","0.0006","14.11","0.002","90","","92.954","0.005","90","","657.27","0.15","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,4'-Bipyridyl‒(2R,3R)-tartaric acid (1/1)","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C28 H28 N4 O12 -","2","1","NA0130","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Chiral <i>versus</i> racemic building blocks in supramolecular chemistry: tartrate salts of organic diamines","Acta Crystallographica Section B","2002","58","2","272","288","10.1107/S0108768101019632","","","0.71073","MoKα","","0.0774","0.0479","","","0.1073","0.1236","","","","","","1.031","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103268","6.4043","0.0003","9.086","0.0005","9.3734","0.0004","90","","109.006","0.003","90","","515.7","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Piperazine‒(2R,3R)-tartaric acid (1/1)","","- C8 H16 N2 O6 -","- C8 H16 N2 O6 -","- C16 H32 N4 O12 -","2","1","NA0130","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Chiral <i>versus</i> racemic building blocks in supramolecular chemistry: tartrate salts of organic diamines","Acta Crystallographica Section B","2002","58","2","272","288","10.1107/S0108768101019632","","","0.71073","MoKα","","0.0471","0.0369","","","0.0837","0.0883","","","","","","1.034","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103269","6.5439","0.0003","15.7915","0.0008","7.5357","0.0004","90","","94.484","0.002","90","","776.34","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Piperazine‒racemic tartaric acid (1/2)","","- C12 H22 N2 O12 -","- C12 H22 N2 O12 -","- C24 H44 N4 O24 -","2","0.5","NA0130","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Chiral <i>versus</i> racemic building blocks in supramolecular chemistry: tartrate salts of organic diamines","Acta Crystallographica Section B","2002","58","2","272","288","10.1107/S0108768101019632","","","0.71073","MoKα","","0.0729","0.0429","","","0.1131","0.1444","","","","","","1.104","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103270","7.324","0.0001","15.9935","0.0003","7.5149","0.0001","90","","94.405","0.0011","90","","877.67","0.02","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Diazabicyclo[2.2.2]octane‒racemic tartaric acid (1/2)","","- C14 H24 N2 O12 -","- C14 H24 N2 O12 -","- C28 H48 N4 O24 -","2","0.5","NA0130","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Chiral <i>versus</i> racemic building blocks in supramolecular chemistry: tartrate salts of organic diamines","Acta Crystallographica Section B","2002","58","2","272","288","10.1107/S0108768101019632","","","0.71073","MoKα","","0.0428","0.036","","","0.0894","0.094","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103271","8.8886","0.0001","10.0973","0.0004","45.2601","0.0007","90","","90","","90","","4062.13","0.18","150","2","150","12","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-Diazabicyclo[2.2.2]octane‒(2R,3R)-tartaric acid (3/4)","","- C34 H60 N6 O24 -","- C34 H60 N6 O24 -","- C136 H240 N24 O96 -","4","1","NA0130","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Chiral <i>versus</i> racemic building blocks in supramolecular chemistry: tartrate salts of organic diamines","Acta Crystallographica Section B","2002","58","2","272","288","10.1107/S0108768101019632","","","0.71073","MoKα","","0.0794","0.0412","","","0.0803","0.0929","","","","","","1.015","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103272","7.1298","0.0002","30.7247","0.0013","6.8691","0.0002","90","","90","","90","","1504.75","0.09","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N,N'-Dithiodiphthalimide","","- C16 H8 N2 O4 S2 -","- C16 H8 N2 O4 S2 -","- C64 H32 N8 O16 S8 -","4","1","NA0132","Farrell, Dorcas M. M.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Zakaria, Choudhury M.","Polymorphs and pseudopolymorphs of <i>N</i>,<i>N</i>'-dithiobisphthalimide","Acta Crystallographica Section B","2002","58","2","289","299","10.1107/S0108768101020006","","","0.71073","MoKα","","0.0753","0.0446","","","0.0822","0.0998","","","","","","1.058","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103273","13.5052","0.0002","7.874","0.0001","29.205","0.0005","90","","98.964","0.0005","90","","3067.73","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-Dithiodiphthalimide","","- C16 H8 N2 O4 S2 -","- C16 H8 N2 O4 S2 -","- C128 H64 N16 O32 S16 -","8","2","NA0132","Farrell, Dorcas M. M.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Zakaria, Choudhury M.","Polymorphs and pseudopolymorphs of <i>N</i>,<i>N</i>'-dithiobisphthalimide","Acta Crystallographica Section B","2002","58","2","289","299","10.1107/S0108768101020006","","","0.71073","MoKα","","0.0605","0.0411","","","0.1071","0.1202","","","","","","1.042","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103274","22.5545","0.0009","4.8545","0.0002","16.7095","0.0014","90","","102.467","0.0017","90","","1786.4","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-Dithiodiphthalimide‒nitromethane solvate (1/1)","","- C17 H11 N3 O6 S2 -","- C17 H11 N3 O6 S2 -","- C68 H44 N12 O24 S8 -","4","1","NA0132","Farrell, Dorcas M. M.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Zakaria, Choudhury M.","Polymorphs and pseudopolymorphs of <i>N</i>,<i>N</i>'-dithiobisphthalimide","Acta Crystallographica Section B","2002","58","2","289","299","10.1107/S0108768101020006","","","0.71073","MoKα","","0.0475","0.0367","","","0.0867","0.0926","","","","","","1.06","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103275","7.6257","0.001","10.3369","0.0002","11.6392","0.0002","81.544","0.0008","77.86","0.0008","78.848","0.0013","874.59","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","N,N'-Dithiodiphthalimide hemi(chlorobenzene) solvate","","- C19 H10.5 Cl0.5 N2 O4 S2 -","- C19 H10.5 Cl0.5 N2 O4 S2 -","- C38 H21 Cl N4 O8 S4 -","2","1","NA0132","Farrell, Dorcas M. M.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Zakaria, Choudhury M.","Polymorphs and pseudopolymorphs of <i>N</i>,<i>N</i>'-dithiobisphthalimide","Acta Crystallographica Section B","2002","58","2","289","299","10.1107/S0108768101020006","","","0.71073","MoKα","","0.0419","0.0381","","","0.106","0.1084","","","","","","1.127","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2103276","13.76","0.0004","16.4924","0.0004","16.045","0.0005","90","","92.951","0.001","90","","3636.35","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-Dithiodiphthalimide ethylbenzene/water solvate","","- C19.652 H12.652 N2 O4.043 S2 -","- C19.652 H12.652 N2 O4.0435 S2 -","- C157.216 H101.216 N16 O32.348 S16 -","8","2","NA0132","Farrell, Dorcas M. M.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Zakaria, Choudhury M.","Polymorphs and pseudopolymorphs of <i>N</i>,<i>N</i>'-dithiobisphthalimide","Acta Crystallographica Section B","2002","58","2","289","299","10.1107/S0108768101020006","","","0.71073","MoKα","","0.0755","0.0464","","","0.1152","0.1291","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103277","14.418","0.0006","16.0502","0.0007","7.6616","0.0003","90","","93.369","0.002","90","","1769.92","0.13","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-Dithiophthalimide","","- C16 H8 N2 O4 S2 -","- C16 H8 N2 O4 S2 -","- C64 H32 N8 O16 S8 -","4","0.5","NA0132","Farrell, Dorcas M. M.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Zakaria, Choudhury M.","Polymorphs and pseudopolymorphs of <i>N</i>,<i>N</i>'-dithiobisphthalimide","Acta Crystallographica Section B","2002","58","2","289","299","10.1107/S0108768101020006","","","0.71073","MoKα","","0.0596","0.043","","","0.121","0.1268","","","","","","1.063","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103278","14.3752","0.0005","15.9349","0.001","7.631","0.01","90","","93.845","0.002","90","","1744","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-Dithiodiphthalimide","","- C16 H8 N2 O4 S2 -","- C16 H8 N2 O4 S2 -","- C64 H32 N8 O16 S8 -","4","0.5","NA0132","Farrell, Dorcas M. M.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Zakaria, Choudhury M.","Polymorphs and pseudopolymorphs of <i>N</i>,<i>N</i>'-dithiobisphthalimide","Acta Crystallographica Section B","2002","58","2","289","299","10.1107/S0108768101020006","","","0.71073","MoKα","","0.0798","0.054","","","0.1416","0.1538","","","","","","1.032","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103279","14.2629","0.0005","16.1851","0.0004","7.7835","0.0002","90","","94.3917","0.0009","90","","1791.52","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N'-Dithiodiphthalimide hemi(p-xylene) solvate","","- C20 H13 N2 O4 S2 -","- C20 H13 N2 O4 S2 -","- C80 H52 N8 O16 S8 -","4","1","NA0132","Farrell, Dorcas M. M.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Zakaria, Choudhury M.","Polymorphs and pseudopolymorphs of <i>N</i>,<i>N</i>'-dithiobisphthalimide","Acta Crystallographica Section B","2002","58","2","289","299","10.1107/S0108768101020006","","","0.71073","MoKα","","0.0519","0.039","","","0.1094","0.1172","","","","","","1.089","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103280","14.3126","0.0004","16.127","0.0004","7.699","0.0002","90","","94.3216","0.0013","90","","1772.03","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N'-Dithiodiphthalimide hemi(toluene) solvate","","- C19.5 H12 N2 O4 S2 -","- C19.5 H12 N2 O4 S2 -","- C78 H48 N8 O16 S8 -","4","1","NA0132","Farrell, Dorcas M. M.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Zakaria, Choudhury M.","Polymorphs and pseudopolymorphs of <i>N</i>,<i>N</i>'-dithiobisphthalimide","Acta Crystallographica Section B","2002","58","2","289","299","10.1107/S0108768101020006","","","0.71073","MoKα","","0.0512","0.0393","","","0.1005","0.1073","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103281","11.677","0.002","13.362","0.003","21.478","0.004","90","","102.58","0.03","90","","3270.7","1.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4-benzylamino-6-benzyloxy-5-nitrosopyrimidine","","- C18 H17 N5 O2 -","- C18 H17 N5 O2 -","- C144 H136 N40 O16 -","8","2","NA0133","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Low, John N.; Cannon, Debbie; Farrell, Dorcas M. M.; Glidewell, Christopher","Amino-substituted O^6^-benzyl-5-nitrosopyrimidines: interplay of molecular, molecular-electronic and supramolecular structures","Acta Crystallographica Section B","2002","58","2","300","315","10.1107/S0108768101021607","","","0.71073","MoKα","","0.1065","0.0515","","","0.1184","0.1495","","","","","","0.99","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103282","7.3525","0.0004","7.542","0.0005","14.9454","0.0013","91.797","0.003","100.467","0.003","106.102","0.006","780.06","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Ethyl N-(2-amino-6-benzyloxypyrimidin-4-yl)gylcinate","","- C15 H17 N5 O4 -","- C15 H17 N5 O4 -","- C30 H34 N10 O8 -","2","1","NA0133","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Low, John N.; Cannon, Debbie; Farrell, Dorcas M. M.; Glidewell, Christopher","Amino-substituted O^6^-benzyl-5-nitrosopyrimidines: interplay of molecular, molecular-electronic and supramolecular structures","Acta Crystallographica Section B","2002","58","2","300","315","10.1107/S0108768101021607","","","0.71073","MoKα","","0.1297","0.0551","","","0.1307","0.1638","","","","","","1.023","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103283","5.2399","0.0016","31.163","0.0014","9.792","0.004","90","","100.2","0.012","90","","1573.7","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl N-(2-amino-6 benzyloxy-5-nitrosopyrimidin-4-yl)-β-alaninate","","- C16 H19 N5 O4 -","- C16 H19 N5 O4 -","- C64 H76 N20 O16 -","4","1","NA0133","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Low, John N.; Cannon, Debbie; Farrell, Dorcas M. M.; Glidewell, Christopher","Amino-substituted O^6^-benzyl-5-nitrosopyrimidines: interplay of molecular, molecular-electronic and supramolecular structures","Acta Crystallographica Section B","2002","58","2","300","315","10.1107/S0108768101021607","","","0.71073","MoKα","","0.2999","0.1059","","","0.2087","0.2829","","","","","","1.001","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103284","7.483","0.0002","16.611","0.0006","13.5378","0.0006","90","","91.542","0.0011","90","","1682.14","0.11","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethyl N-(2-amino-6-benzyloxo-5-nitrosopyrimidin-4-yl)-β-alaninate","","- C16 H19 N5 O4 -","- C16 H19 N5 O4 -","- C64 H76 N20 O16 -","4","2","NA0133","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Low, John N.; Cannon, Debbie; Farrell, Dorcas M. M.; Glidewell, Christopher","Amino-substituted O^6^-benzyl-5-nitrosopyrimidines: interplay of molecular, molecular-electronic and supramolecular structures","Acta Crystallographica Section B","2002","58","2","300","315","10.1107/S0108768101021607","","","0.71073","MoKα","","0.0688","0.0551","","","0.1384","0.1492","","","","","","1.033","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103285","7.9899","0.0003","8.4278","0.0003","17.0042","0.0007","99.91","0.0012","90.561","0.0013","111.488","0.0017","1046.22","0.07","150","2","150","2","","","","","","","","4","P 1","P 1","1","","Ethyl N-(2-amino-6-benzyloxy-5-nitrosopyrimidin-4-yl)-L-phenylalaninate","","- C22 H23 N5 O4 -","- C22 H23 N5 O4 -","- C44 H46 N10 O8 -","2","2","NA0133","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Low, John N.; Cannon, Debbie; Farrell, Dorcas M. M.; Glidewell, Christopher","Amino-substituted O^6^-benzyl-5-nitrosopyrimidines: interplay of molecular, molecular-electronic and supramolecular structures","Acta Crystallographica Section B","2002","58","2","300","315","10.1107/S0108768101021607","","","0.71073","MoKα","","0.0713","0.0455","","","0.097","0.1095","","","","","","1.009","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103286","8.6595","0.0002","16.3567","0.0004","16.9014","0.0004","105.221","0.0013","104.696","0.0013","100.372","0.0012","2154.96","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Ethyl N-(2-benzylamino-6-benzyloxy-5-nitrosopyrimidin-4-yl)-β-alaninate","","- C23 H25 N5 O4 -","- C23 H25 N5 O4 -","- C92 H100 N20 O16 -","4","2","NA0133","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Low, John N.; Cannon, Debbie; Farrell, Dorcas M. M.; Glidewell, Christopher","Amino-substituted O^6^-benzyl-5-nitrosopyrimidines: interplay of molecular, molecular-electronic and supramolecular structures","Acta Crystallographica Section B","2002","58","2","300","315","10.1107/S0108768101021607","","","0.71073","MoKα","","0.1158","0.0667","","","0.1555","0.186","","","","","","0.99","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103287","14.6856","0.0005","7.7726","0.0002","18.5721","0.0008","90","","99.8847","0.0013","90","","2088.45","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Benzylamino-2, 6-bis(benzyloxy)-5-nitrosopyrimidine","","- C25 H22 N4 O3 -","- C25 H22 N4 O3 -","- C100 H88 N16 O12 -","4","1","NA0133","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Low, John N.; Cannon, Debbie; Farrell, Dorcas M. M.; Glidewell, Christopher","Amino-substituted O^6^-benzyl-5-nitrosopyrimidines: interplay of molecular, molecular-electronic and supramolecular structures","Acta Crystallographica Section B","2002","58","2","300","315","10.1107/S0108768101021607","","","0.71073","MoKα","","0.0743","0.0473","","","0.1132","0.1314","","","","","","1.065","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103288","13.8074","0.0003","15.8175","0.0005","10.2119","0.0005","90","","105.749","0.0011","90","","2146.54","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Benzylamino-4,6-bis(benzyloxy)-5-nitrosopyrimidine","","- C25 H22 N4 O3 -","- C25 H22 N4 O3 -","- C100 H88 N16 O12 -","4","1","NA0133","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Low, John N.; Cannon, Debbie; Farrell, Dorcas M. M.; Glidewell, Christopher","Amino-substituted O^6^-benzyl-5-nitrosopyrimidines: interplay of molecular, molecular-electronic and supramolecular structures","Acta Crystallographica Section B","2002","58","2","300","315","10.1107/S0108768101021607","","","0.71073","MoKα","","0.0975","0.0508","","","0.1091","0.1263","","","","","","1.011","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103289","32.4902","0.0009","7.5034","0.0002","12.7804","0.0004","90","","98.879","0.0016","90","","3078.36","0.15","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-4,6-bis(benzyloxy)pyrimidine","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C144 H136 N24 O16 -","8","1","NA0133","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Low, John N.; Cannon, Debbie; Farrell, Dorcas M. M.; Glidewell, Christopher","Amino-substituted O^6^-benzyl-5-nitrosopyrimidines: interplay of molecular, molecular-electronic and supramolecular structures","Acta Crystallographica Section B","2002","58","2","300","315","10.1107/S0108768101021607","","","0.71073","MoKα","","0.0628","0.0442","","","0.106","0.115","","","","","","1.044","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103290","18.4687","0.0008","8.1067","0.0003","19.188","0.0006","90","","110.58","0.002","90","","2689.49","0.18","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4,6-bis(pyrrolidino)-5-nitrosopyrimidine hydrate","","- C12 H19.1 N6 O1.55 -","- C12 H19.102 N5.9995 O1.5505 -","- C96 H152.816 N47.996 O12.404 -","8","2","NA0133","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Low, John N.; Cannon, Debbie; Farrell, Dorcas M. M.; Glidewell, Christopher","Amino-substituted O^6^-benzyl-5-nitrosopyrimidines: interplay of molecular, molecular-electronic and supramolecular structures","Acta Crystallographica Section B","2002","58","2","300","315","10.1107/S0108768101021607","","","0.71073","MoKα","","0.1123","0.0761","","","0.2029","0.2362","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2103291","9.4657","0.0019","10.609","0.002","19.018","0.004","82.5","0.03","82.75","0.03","88.59","0.03","1878.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","trans-dichlorobis(tribenzylphosphine)platinum(II)","","","- C42 H42 Cl2 P2 Pt -","- C42 H42 Cl2 P2 Pt -","- C84 H84 Cl4 P4 Pt2 -","2","1","NS0007","Johansson, Maria H.; Otto, Stefanus; Oskarsson, Åke","Structures of <i>trans</i>-[PtCl~2~(PBz~3~)~2~], <i>trans</i>-[PtI~2~(PBz~3~)~2~], <i>trans</i>-[Pt(NCS)~2~(PBz~3~)~2~]·0.5C~6~H~6~ and <i>trans</i>-[PdI~2~(PBz~3~)~2~]","Acta Crystallographica Section B","2002","58","2","244","250","10.1107/S0108768101021395","","","0.71073","MoKα","","0.0526","0.0311","","","0.0716","0.0796","","","","","","1.005","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103292","11.256","0.002","9.985","0.002","18.126","0.004","90","","105.05","0.03","90","","1967.3","0.7","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","trans-diiodobis(tribenzylphosphine)platinum(II)","","","- C42 H42 I2 P2 Pt -","- C42 H42 I2 P2 Pt -","- C84 H84 I4 P4 Pt2 -","2","1","NS0007","Johansson, Maria H.; Otto, Stefanus; Oskarsson, Åke","Structures of <i>trans</i>-[PtCl~2~(PBz~3~)~2~], <i>trans</i>-[PtI~2~(PBz~3~)~2~], <i>trans</i>-[Pt(NCS)~2~(PBz~3~)~2~]·0.5C~6~H~6~ and <i>trans</i>-[PdI~2~(PBz~3~)~2~]","Acta Crystallographica Section B","2002","58","2","244","250","10.1107/S0108768101021395","","","0.71073","MoKα","","0.07","0.0356","","","0.0632","0.0706","","","","","","0.9","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103293","9.5006","0.0019","11.8","0.002","19.112","0.004","83.99","0.03","89.87","0.03","81.98","0.03","2109.8","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","trans-di(thiocyanate)bis(tribenzylphosphine)platinum(II)","","","- C47 H45 N2 P2 Pt S2 -","- C47 H45 N2 P2 Pt S2 -","- C94 H90 N4 P4 Pt2 S4 -","2","1","NS0007","Johansson, Maria H.; Otto, Stefanus; Oskarsson, Åke","Structures of <i>trans</i>-[PtCl~2~(PBz~3~)~2~], <i>trans</i>-[PtI~2~(PBz~3~)~2~], <i>trans</i>-[Pt(NCS)~2~(PBz~3~)~2~]·0.5C~6~H~6~ and <i>trans</i>-[PdI~2~(PBz~3~)~2~]","Acta Crystallographica Section B","2002","58","2","244","250","10.1107/S0108768101021395","","","0.71073","MoKα","","0.1001","0.0425","","","0.0753","0.0868","","","","","","0.868","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103294","11.274","0.002","9.994","0.002","18.073","0.004","90","","104.88","0.03","90","","1968","0.7","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","trans-diiodobis(tribenzylphosphine)palladium(II)","","","- C42 H42 I2 P2 Pd -","- C42 H42 I2 P2 Pd -","- C84 H84 I4 P4 Pd2 -","2","1","NS0007","Johansson, Maria H.; Otto, Stefanus; Oskarsson, Åke","Structures of <i>trans</i>-[PtCl~2~(PBz~3~)~2~], <i>trans</i>-[PtI~2~(PBz~3~)~2~], <i>trans</i>-[Pt(NCS)~2~(PBz~3~)~2~]·0.5C~6~H~6~ and <i>trans</i>-[PdI~2~(PBz~3~)~2~]","Acta Crystallographica Section B","2002","58","2","244","250","10.1107/S0108768101021395","","","0.71073","MoKα","","0.1234","0.0511","","","0.1061","0.1249","","","","","","0.852","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103295","5.4887","0.0002","5.4887","0.0002","13.5048","0.0008","90","","90","","120","","352.34","0.03","","","273","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","sodium bismuth titanate","","- Bi0.5 Na0.5 O3 Ti -","- Bi0.5 Na0.5 O3 Ti -","- Bi3 Na3 O18 Ti6 -","6","0.333333","OS0082","Jones, G. O.; Thomas, P. A.","Investigation of the structure and phase transitions in the novel A-site substituted distorted perovskite compound Na~0.5~Bi~0.5~TiO~3~","Acta Crystallographica Section B","2002","58","2","168","178","10.1107/S0108768101020845","","neutron","1.594","neutron","","","","","","","","","","0.323","","","","","","warnings","has coordinates","249446","2020-10-21","18:00:00",""
"2103296","5.5179","0.0002","5.5179","0.0002","3.9073","0.0002","90","","90","","90","","118.966","0.009","","","673","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","sodium bismuth titanate","","- Bi0.5 Na0.5 O3 Ti -","- Bi0.5 Na0.5 O3 Ti -","- Bi Na O6 Ti2 -","2","0.25","OS0082","Jones, G. O.; Thomas, P. A.","Investigation of the structure and phase transitions in the novel A-site substituted distorted perovskite compound Na~0.5~Bi~0.5~TiO~3~","Acta Crystallographica Section B","2002","58","2","168","178","10.1107/S0108768101020845","","neutron","1.594","neutron","","","","","","","","","","0.786","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103297","3.91368","0.00003","3.91368","0.00003","3.91368","0.00003","90","","90","","90","","59.9454","0.0008","","","873","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","sodium bismuth titanate","","- Bi0.5 Na0.5 O3 Ti -","- Bi0.5 Na0.5 O3 Ti -","- Bi0.5 Na0.5 O3 Ti -","1","0.0208333","OS0082","Jones, G. O.; Thomas, P. A.","Investigation of the structure and phase transitions in the novel A-site substituted distorted perovskite compound Na~0.5~Bi~0.5~TiO~3~","Acta Crystallographica Section B","2002","58","2","168","178","10.1107/S0108768101020845","","neutron","1.594","neutron","","","","","","","","","","0.71","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103298","23.818","0.003","9.451","0.0003","8.8553","0.0018","90","","94.842","0.013","90","","1986.2","0.5","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","[(3-chloropyridine) (2-cyanoethyl) cobaloxime] [(2-cyanoethyl)(3-bromopyridine) cobaloxime]","","- C16 H22 Br0.39 Cl0.61 Co N6 O4 -","- C16 H22 Br0.39 Cl0.61 Co N6 O4 -","- C64 H88 Br1.56 Cl2.44 Co4 N24 O16 -","4","1","TA0008","Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji","Modified photoreactivity due to mixed crystal formation. I. Three mixed crystals between isostructural cobaloxime complexes","Acta Crystallographica Section B","2002","58","2","227","232","10.1107/S0108768101019346","","","0.71073","MoKα","","0.0681","0.0555","","","0.1413","0.1494","","","","","","1.136","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103299","23.751","0.004","9.468","0.0012","8.8453","0.0014","90","","94.672","0.013","90","","1982.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","[(3-chloropyridine) (2-cyanoethyl) cobaloxime] [(2-cyanoethyl)(3-methylpyridine) cobaloxime]","","- C16.565 H23.695 Cl0.435 Co N6 O4 -","- C16.565 H23.695 Cl0.435 Co N6 O4 -","- C66.26 H94.78 Cl1.74 Co4 N24 O16 -","4","1","TA0008","Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji","Modified photoreactivity due to mixed crystal formation. I. Three mixed crystals between isostructural cobaloxime complexes","Acta Crystallographica Section B","2002","58","2","227","232","10.1107/S0108768101019346","","","0.71073","MoKα","","0.0403","0.0299","","","0.0855","0.0906","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2103300","23.7797","0.0011","9.5032","0.0005","8.8569","0.0004","90","","94.479","0.001","90","","1995.4","0.17","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","[(3-chloropyridine) (2-cyanoethyl) cobaloxime] [(2-cyanoethyl)(3-methylpyridine) cobaloxime]","","- C16.518 H19.572 Cl0.476 Co N6 O4 -","- C16.524 H19.572 Cl0.476 Co N6 O4 -","- C66.096 H78.288 Cl1.904 Co4 N24 O16 -","4","1","TA0008","Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji","Modified photoreactivity due to mixed crystal formation. I. Three mixed crystals between isostructural cobaloxime complexes","Acta Crystallographica Section B","2002","58","2","227","232","10.1107/S0108768101019346","","","0.71069","MoKα","","0.0635","0.049","","","0.1318","0.1391","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2103301","23.82","0.02","9.52","0.01","8.822","0.005","90","","94.73","0.06","90","","1994","3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","[(3-bromopyridine) (2-cyanoethyl) cobaloxime] [(2-cyanoethyl)(3-methylpyridine) cobaloxime]","","- C16.55 H23.64 Br0.45 Co N6 O4 -","- C16.546 H23.638 Br0.454 Co N6 O4 -","- C66.184 H94.552 Br1.816 Co4 N24 O16 -","4","1","TA0008","Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji","Modified photoreactivity due to mixed crystal formation. I. Three mixed crystals between isostructural cobaloxime complexes","Acta Crystallographica Section B","2002","58","2","227","232","10.1107/S0108768101019346","","","0.71069","MoKα","","0.078","0.057","","","0.161","0.1765","","","","","","1.095","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2103302","9.9644","0.0008","8.1854","0.0007","7.4422","0.0006","90","","90","","90","","607.01","0.09","110","0.2","110","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-oxatricyclo[5.1.0.0^1,3^]octane-4-one","","- C7 H8 O2 -","- C7 H8 O2 -","- C28 H32 O8 -","4","1","AN0591","Yufit, D. S.; Kozhushkov, S. I.; Howard, J. A. K.; de Meijere, A.","Crystal structure of 5-oxatricyclo[5.1.0.0^1,3^]octane-4-one: two polymorphs in one crystal","Acta Crystallographica Section B","2002","58","4","673","676","10.1107/S010876810200887X","","","0.71073","MoKα","","0.0416","0.0373","","","0.0868","0.089","","","","","","1.169","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103303","9.9533","0.0008","8.1831","0.0007","7.8129","0.0006","90","","108.61","0.02","90","","603.08","0.11","110","0.2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-oxatricyclo[5.1.0.0^1,3^]octane-4-one","","- C7 H8 O2 -","- C7 H8 O2 -","- C28 H32 O8 -","4","1","AN0591","Yufit, D. S.; Kozhushkov, S. I.; Howard, J. A. K.; de Meijere, A.","Crystal structure of 5-oxatricyclo[5.1.0.0^1,3^]octane-4-one: two polymorphs in one crystal","Acta Crystallographica Section B","2002","58","4","673","676","10.1107/S010876810200887X","","","0.71073","MoKα","","0.0563","0.0467","","","0.1215","0.1263","","","","","","1.601","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103304","5.321","0.001","6.293","0.001","17.65","0.004","90","","93.65","0.03","90","","589.8","0.2","20","0.1","20","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","methylbenzylaminonitropyridine (MBANP)","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C26 H26 N6 O4 -","2","1","AN0602","Cole, Jacqueline M.; Goeta, Andrés E.; Howard, Judith A. K.; McIntyre, Garry J.","X-ray and neutron diffraction studies of the non-linear optical compounds MBANP and MBADNP at 20K: charge-density and hydrogen-bonding analyses","Acta Crystallographica Section B","2002","58","4","690","700","10.1107/S0108768102006109","","neutron","0.83717","neutron","","0.0803","0.0732","","0.1111","0.1051","","","","2.557","2.632","2.632","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103305","8.352","0.003","8.57","0.003","8.909","0.004","90","","93.98","0.02","90","","636.1","0.4","20","0.1","20","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","methylbenzylaminodinitropyridine","","","- C13 H12 N4 O4 -","- C13 H12 N4 O4 -","- C26 H24 N8 O8 -","2","1","AN0602","Cole, Jacqueline M.; Goeta, Andrés E.; Howard, Judith A. K.; McIntyre, Garry J.","X-ray and neutron diffraction studies of the non-linear optical compounds MBANP and MBADNP at 20K: charge-density and hydrogen-bonding analyses","Acta Crystallographica Section B","2002","58","4","690","700","10.1107/S0108768102006109","","neutron","0.83717","neutron","","0.0324","0.0291","","0.0518","0.0464","","","","1.471","1.484","1.484","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103306","8.352","0.003","8.57","0.003","8.909","0.004","90","","93.98","0.02","90","","636.1","0.4","20","0.2","20","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","methylbenzylaminodinitropyridine","","","- C13 H12 N4 O4 -","- C13 H12 N4 O4 -","- C26 H24 N8 O8 -","2","1","AN0602","Cole, Jacqueline M.; Goeta, Andrés E.; Howard, Judith A. K.; McIntyre, Garry J.","X-ray and neutron diffraction studies of the non-linear optical compounds MBANP and MBADNP at 20K: charge-density and hydrogen-bonding analyses","Acta Crystallographica Section B","2002","58","4","690","700","10.1107/S0108768102006109","","","0.71073","MoKα","","0.0347","0.0333","","","0.1124","0.1146","","","","","","0.989","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103307","5.0993","0.0003","11.9416","0.0006","5.4608","0.0003","90","","111.784","0.002","90","","308.78","0.03","288","2","288","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","AN0604","Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P.","Structural characterization of crystals of α-glycine during anomalous electrical behaviour","Acta Crystallographica Section B","2002","58","4","728","733","10.1107/S0108768102004263","","neutron","0.8395","neutron","","0.0407","0.0371","","","0.0764","0.0777","","","","","","1.204","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103308","5.0999","0.0003","11.9516","0.0006","5.4594","0.0003","90","","111.781","0.002","90","","309","0.03","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","AN0604","Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P.","Structural characterization of crystals of α-glycine during anomalous electrical behaviour","Acta Crystallographica Section B","2002","58","4","728","733","10.1107/S0108768102004263","","neutron","0.8395","neutron","","0.0297","0.0267","","","0.0602","0.0614","","","","","","1.154","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103309","5.1008","0.0003","11.9558","0.0008","5.4602","0.0003","90","","111.772","0.003","90","","309.23","0.03","304","2","304","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","AN0604","Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P.","Structural characterization of crystals of α-glycine during anomalous electrical behaviour","Acta Crystallographica Section B","2002","58","4","728","733","10.1107/S0108768102004263","","neutron","0.8395","neutron","","0.0309","0.0273","","","0.0653","0.0673","","","","","","1.087","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103310","5.1012","0.0003","11.9651","0.0009","5.4604","0.0004","90","","111.763","0.005","90","","309.53","0.04","313","2","313","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","AN0604","Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P.","Structural characterization of crystals of α-glycine during anomalous electrical behaviour","Acta Crystallographica Section B","2002","58","4","728","733","10.1107/S0108768102004263","","neutron","0.8395","neutron","","0.0321","0.03","","","0.0732","0.0741","","","","","","1.159","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103311","5.1026","0.0003","11.9752","0.0009","5.4602","0.0004","90","","111.757","0.005","90","","309.88","0.04","323","2","323","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","AN0604","Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P.","Structural characterization of crystals of α-glycine during anomalous electrical behaviour","Acta Crystallographica Section B","2002","58","4","728","733","10.1107/S0108768102004263","","neutron","0.8395","neutron","","0.0334","0.0311","","","0.0736","0.0746","","","","","","1.155","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103312","5.1074","0.0003","12.0775","0.0009","5.4596","0.0004","90","","111.827","0.005","90","","312.63","0.04","427","2","427","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","AN0604","Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P.","Structural characterization of crystals of α-glycine during anomalous electrical behaviour","Acta Crystallographica Section B","2002","58","4","728","733","10.1107/S0108768102004263","","neutron","0.8397","neutron","","0.0331","0.0314","","","0.0708","0.0718","","","","","","1.333","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103313","7.584","0.004","8.0849","0.0014","7.508","0.002","90","","119.69","0.03","90","","399.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ge Li O5 Ta -","- Ge Li O5 Ta -","- Ge4 Li4 O20 Ta4 -","4","1","CK0010","Malcherek, Thomas","Structure and phase transitions of LiTaOGeO~4~","Acta Crystallographica Section B","2002","58","4","607","612","10.1107/S010876810200825X","","","0.71073","MoKα","","0.0284","0.0207","","","0.0441","0.0465","","","","","","1.036","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103314","7.5773","0.0001","8.1188","0.0001","7.491","0.0001","90","","119.545","0.001","90","","400.913","0.009","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ge Li O5 Ta -","- Ge Li O5 Ta -","- Ge4 Li4 O20 Ta4 -","4","0.5","CK0010","Malcherek, Thomas","Structure and phase transitions of LiTaOGeO~4~","Acta Crystallographica Section B","2002","58","4","607","612","10.1107/S010876810200825X","","","0.71073","MoKα","","0.0203","0.0159","","","0.0359","0.0374","","","","","","1.036","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103315","7.5773","0.0001","8.1188","0.0001","7.491","0.0001","90","","119.545","0.001","90","","400.913","0.009","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ge Li O5 Ta -","- Ge Li O5 Ta -","- Ge4 Li4 O20 Ta4 -","4","0.5","CK0010","Malcherek, Thomas","Structure and phase transitions of LiTaOGeO~4~","Acta Crystallographica Section B","2002","58","4","607","612","10.1107/S010876810200825X","","","0.71073","MoKα","","0.0202","0.0158","","","0.0356","0.037","","","","","","1.036","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103316","8.2127","0.0005","9.793","0.0004","9.7954","0.0005","90","","94.848","0.005","90","","785","0.07","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dicalcium silicate","dicalcium silicate","","- Ca2 O4 Si -","- Ca2 O4 Si -","- Ca16 O32 Si8 -","8","2","CK0012","Toraya, H.; Yamazaki, S.","Simulated annealing structure solution of a new phase of dicalcium silicate Ca~2~SiO~4~ and the mechanism of structural changes from α-dicalcium silicate hydrate to α~L~'-dicalcium silicate <i>via</i> the new phase","Acta Crystallographica Section B","2002","58","4","613","621","10.1107/S0108768102005189","","","1.598","synchrotron","","","","","","","","","","2.28","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103317","7.75","0.001","9.935","0.001","35.657","0.001","90","","90","","90","","2745.5","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ecdysone","2β,3β,14α,22R,25-pentahydroxy-5β-cholest-7-en-6-one","","- C27 H44 O6 -","- C27 H44 O6 -","- C108 H176 O24 -","4","1","DE0015","Fábián, László; Argay, Gyula; Kálmán, Alajos; Báthori, Mária","Crystal structures of ecdysteroids: the role of solvent molecules in hydrogen bonding and isostructurality","Acta Crystallographica Section B","2002","58","4","710","720","10.1107/S0108768102005608","","","1.5418","CuKα","","0.0632","0.0353","","","0.0972","0.1088","","","","","","0.735","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103318","7.663","0.001","10.541","0.001","33.084","0.002","90","","90","","90","","2672.4","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","20-hydroxyecdysone","2β,3β,14α,20R,22R,25-hexahydroxy-5β-cholest-7-en-6-one","","- C27 H44 O7 -","- C27 H44 O7 -","- C108 H176 O28 -","4","1","DE0015","Fábián, László; Argay, Gyula; Kálmán, Alajos; Báthori, Mária","Crystal structures of ecdysteroids: the role of solvent molecules in hydrogen bonding and isostructurality","Acta Crystallographica Section B","2002","58","4","710","720","10.1107/S0108768102005608","","","1.5418","CuKα","","0.0405","0.0363","","","0.1006","0.1036","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103319","7.167","0.001","9.703","0.001","41.412","0.004","90","","90","","90","","2879.8","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","20-hydroxyecdysone methanol solvate hydrate","2β,3β,14α,20R,22R,25-hexahydroxy-5β-cholest-7-en-6-one methanol solvate hydrate","","- C28 H50 O9 -","- C28 H50 O9 -","- C112 H200 O36 -","4","1","DE0015","Fábián, László; Argay, Gyula; Kálmán, Alajos; Báthori, Mária","Crystal structures of ecdysteroids: the role of solvent molecules in hydrogen bonding and isostructurality","Acta Crystallographica Section B","2002","58","4","710","720","10.1107/S0108768102005608","","","1.5418","CuKα","","0.0543","0.0382","","","0.1125","0.1213","","","","","","0.858","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103320","11.293","0.002","14.202","0.002","18.721","0.003","90","","90","","90","","3002.5","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","20-hydroxyecdysone trihydrate","2β,3β,14α,20R,22R,25-hexahydroxy-5β-cholest-7-en-6-one trihydrate","","- C27 H50 O10 -","- C27 H46 O10 -","- C108 H184 O40 -","4","1","DE0015","Fábián, László; Argay, Gyula; Kálmán, Alajos; Báthori, Mária","Crystal structures of ecdysteroids: the role of solvent molecules in hydrogen bonding and isostructurality","Acta Crystallographica Section B","2002","58","4","710","720","10.1107/S0108768102005608","","","0.71073","MOkα","","0.1056","0.0535","","","0.1281","0.1422","","","","","","0.92","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103321","7.163","0.001","10.303","0.001","37.254","0.002","90","","90","","90","","2749.4","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","polypodine B hydrate","2β,3β,5β,14α,20R,22R,25-heptahydroxy-5β-cholest-7-en-6-one hydrate","","- C27 H46 O9 -","- C27 H46 O9 -","- C108 H184 O36 -","4","1","DE0015","Fábián, László; Argay, Gyula; Kálmán, Alajos; Báthori, Mária","Crystal structures of ecdysteroids: the role of solvent molecules in hydrogen bonding and isostructurality","Acta Crystallographica Section B","2002","58","4","710","720","10.1107/S0108768102005608","","","1.5418","CuKα","","0.044","0.0362","","","0.1004","0.1042","","","","","","1.065","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103322","5.3643","0.001","25.3538","0.0006","8.3043","0.0014","90","","96.202","0.015","90","","1122.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-Histidine-Malonicacid-complex","","","- C18 H26 N6 O12 -","- C9 H13 N3 O6 -","- C36 H52 N12 O24 -","4","1","DE0016","Saraswathi, N.T.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XXXIX. Crystal structures of malonic acid complexes of <small>DL</small>- and <small>L</small>-histidine. Preservation of aggregation pattern on reversal of chirality","Acta Crystallographica Section B","2002","58","4","734","739","10.1107/S0108768102008819","","","1.5418","CuKα","","0.0482","0.0367","","","0.0945","0.1061","","","","","","1.05","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103323","5.3287","0.0015","25.534","0.003","8.2421","0.0015","90","","97","0.02","90","","1113.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Histidine-Malonicacid-complex","","","- C18 H26 N6 O12 -","- C9 H13 N3 O6 -","- C36 H52 N12 O24 -","4","2","DE0016","Saraswathi, N.T.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XXXIX. Crystal structures of malonic acid complexes of <small>DL</small>- and <small>L</small>-histidine. Preservation of aggregation pattern on reversal of chirality","Acta Crystallographica Section B","2002","58","4","734","739","10.1107/S0108768102008819","","","1.5418","CuKα","","0.0743","0.0517","","","0.1165","0.1365","","","","","","1.032","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103324","10.128","0.001","12.486","0.001","19.507","0.001","90","","90","","90","","2466.8","0.3","100","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 N6 O7 -","- C22 H36 N6 O7 -","- C88 H144 N24 O28 -","4","1","LC0050","Dittrich, B.; Koritsánszky, T.; Grosche, M.; Scherer, W.; Flaig, R.; Wagner, A.; Krane, H. G.; Kessler, H.; Riemer, C.; Schreurs, A. M. M.; Luger, P.","Reproducability and transferability of topological properties; experimental charge density of the hexapeptide cyclo-(<small>D,L</small>-Pro)_2‒(<small>L</small>-Ala)_4 monohydrate","Acta Crystallographica Section B","2002","58","4","721","727","10.1107/S0108768102005839","","","0.5583","Synchrotron","","","0.0266","","","","0.0253","","","","","","1.4058","","","","has coordinates","192330","2020-10-21","18:00:00",""
"2103325","10.127","0.001","12.501","0.001","19.495","0.001","90","","90","","90","","2468","0.3","100","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 N6 O7 -","- C22 H36 N6 O7 -","- C88 H144 N24 O28 -","4","1","LC0050","Dittrich, B.; Koritsánszky, T.; Grosche, M.; Scherer, W.; Flaig, R.; Wagner, A.; Krane, H. G.; Kessler, H.; Riemer, C.; Schreurs, A. M. M.; Luger, P.","Reproducability and transferability of topological properties; experimental charge density of the hexapeptide cyclo-(<small>D,L</small>-Pro)_2‒(<small>L</small>-Ala)_4 monohydrate","Acta Crystallographica Section B","2002","58","4","721","727","10.1107/S0108768102005839","","","0.7107","MoKα","","","0.0201","","","","0.0296","","","","","","1.6193","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103326","6.4236","0.0015","7.4979","0.0018","8.293","0.002","71.422","0.004","85.285","0.004","86.125","0.004","376.96","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Iodo-5-nitro-aniline","","- C6 H5 I N2 O2 -","- C6 H5 I N2 O2 -","- C12 H10 I2 N4 O4 -","2","1","NA0135","Garden, Simon J.; Fontes, Silvia P.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Interplay of hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions in iodo-nitroanilines","Acta Crystallographica Section B","2002","58","4","701","709","10.1107/S0108768102007978","","","0.71073","MoKα","","0.0383","0.0375","","","0.1015","0.1022","","","","","","1.069","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103327","26.5541","0.0009","7.0445","0.0002","16.4416","0.0005","90","","101.155","0.0016","90","","3017.47","0.16","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Iodo-2-nitroaniline","","- C6 H5 I N2 O2 -","- C6 H5 I N2 O2 -","- C96 H80 I16 N32 O32 -","16","2","NA0135","Garden, Simon J.; Fontes, Silvia P.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Interplay of hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions in iodo-nitroanilines","Acta Crystallographica Section B","2002","58","4","701","709","10.1107/S0108768102007978","","","0.71073","MoKα","","0.0479","0.0322","","","0.0757","0.0815","","","","","","1.046","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103328","7.6069","0.0003","12.5917","0.0004","10.2546","0.0003","90","","106.669","0.0016","90","","940.95","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Diiodo-3-nitroaniline","","- C6 H4 I2 N2 O2 -","- C6 H4 I2 N2 O2 -","- C24 H16 I8 N8 O8 -","4","1","NA0135","Garden, Simon J.; Fontes, Silvia P.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Interplay of hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions in iodo-nitroanilines","Acta Crystallographica Section B","2002","58","4","701","709","10.1107/S0108768102007978","","","0.71073","MoKα","","0.0486","0.0445","","","0.1188","0.1215","","","","","","1.131","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103329","9.848","0.003","9.864","0.003","8.166","0.002","90","","90","","90","","793.3","0.4","95","2","95","2","","","","","","","","3","P 41","P 4w","76","","4-Isopropyl-phenol","","- C9 H12 O -","- C9 H12 O -","- C36 H48 O4 -","4","1","NS0008","Wójcik, Grażyna; Holband, Jolanta","Variable-temperature studies of the 4-isopropylphenol crystal structure from X-ray diffraction. Comparison of thermal expansion and molecular dynamics with spectroscopic results","Acta Crystallographica Section B","2002","58","4","684","689","10.1107/S0108768102004573","","","0.71073","MoKα","","0.0632","0.0598","","","0.1461","0.1497","","","","","","1.094","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103330","9.859","0.002","9.865","0.002","8.221","0.001","90","","90","","90","","799.6","0.2","180","2","293","2","","","","","","","","3","P 41","P 4w","76","","4-Isopropyl-phenol","","- C9 H12 O -","- C9 H12 O -","- C36 H48 O4 -","4","1","NS0008","Wójcik, Grażyna; Holband, Jolanta","Variable-temperature studies of the 4-isopropylphenol crystal structure from X-ray diffraction. Comparison of thermal expansion and molecular dynamics with spectroscopic results","Acta Crystallographica Section B","2002","58","4","684","689","10.1107/S0108768102004573","","","0.71073","MoKα","","0.0674","0.0593","","","0.1562","0.1684","","","","","","1.199","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103331","9.928","0.001","9.934","0.001","8.316","0.001","90","","90","","90","","820.16","0.15","293","2","293","2","","","","","","","","3","P 41","P 4w","76","","4-Isopropyl-phenol","","- C9 H12 O -","- C9 H12 O -","- C36 H48 O4 -","4","1","NS0008","Wójcik, Grażyna; Holband, Jolanta","Variable-temperature studies of the 4-isopropylphenol crystal structure from X-ray diffraction. Comparison of thermal expansion and molecular dynamics with spectroscopic results","Acta Crystallographica Section B","2002","58","4","684","689","10.1107/S0108768102004573","","","0.71073","MoKα","","0.0838","0.0603","","","0.1655","0.1844","","","","","","1.104","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103332","5.048","0.003","7.84","0.004","8.839","0.004","81.46","0.05","85.05","0.05","89.35","0.05","344.6","0.3","170","","","","","","","","","","","5","P 1","P 1","1","","","","- C8 H2 Cl4 K2 O8 -","- C8 H2 Cl4 K2 O8 -","- C8 H2 Cl4 K2 O8 -","1","1","OS0089","Olovsson, I.; Ptasiewicz-Bak, H.; Gustafsson, T.; Majerz, I.","Asymmetric hydrogen bonds in centrosymmetric environment. II. Neutron study of very short hydrogen bonds in potassium hydrogen dichloromaleate at 90K and 170K","Acta Crystallographica Section B","2002","58","4","627","631","10.1107/S0108768102004858","","neutron","1.207","neutron","","","0.0549","","","","0.0746","","","","","","1.0116","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103333","5.031","0.003","7.827","0.004","8.835","0.005","81.24","0.04","85.17","0.04","89.16","0.04","342.6","0.3","90","","","","","","","","","","","5","P 1","P 1","1","","","","- C8 H2 Cl4 K2 O8 -","- C8 H2 Cl4 K2 O8 -","- C8 H2 Cl4 K2 O8 -","1","1","OS0089","Olovsson, I.; Ptasiewicz-Bak, H.; Gustafsson, T.; Majerz, I.","Asymmetric hydrogen bonds in centrosymmetric environment. II. Neutron study of very short hydrogen bonds in potassium hydrogen dichloromaleate at 90K and 170K","Acta Crystallographica Section B","2002","58","4","627","631","10.1107/S0108768102004858","","neutron","1.207","neutron","","","0.0544","","","","0.0801","","","","","","1.0846","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103334","12.322","0.003","13.607","0.003","14.16","0.003","103.9","0.003","98.87","0.03","112.85","0.03","2040.9","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H76 Mo12 N14 O52 P S2 -","- C42 H76 Mo12 N14 O52 P S2 -","- C42 H76 Mo12 N14 O52 P S2 -","1","0.5","AN0598","Liu, Shizhong; Li, Jianping; Feng, Xianhua; Cao, Zhengtai; Zhang, Zhenwen; Wang, Zheng; Xing, Yan; Jia, Hengqing; Lin, Yonghua","Synthesis, properties and X-ray crystal structure of a new heteropolyacid supermolecular charge-transfer complex [(VB~1~)~2~DMFHPMo~12~O~40~·5DMF]","Acta Crystallographica Section B","2002","58","5","803","807","10.1107/S010876810201008X","","","0.71073","MoKα","","0.1148","0.0893","","0.2676","0.2188","","","","1.118","1.198","1.198","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103335","18.2731","0.0008","6.5417","0.0003","7.2966","0.0003","90","","98.653","0.002","90","","862.29","0.07","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 Co O6 -","- C8 H8 Co O6 -","- C32 H32 Co4 O24 -","4","0.5","BK0107","Kaduk, James A.","Terephthalate salts of dipositive cations","Acta Crystallographica Section B","2002","58","5","815","822","10.1107/S0108768102009102","","","1.54063","K^G^~1~","","","","","","","","","","1.46","","","","","","","has coordinates","199609","2020-10-21","18:00:00",""
"2103336","18.5048","0.0003","6.53513","0.0001","7.31801","0.0001","90","","99.6767","0.0011","90","","872.38","0.02","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 Mg O6 -","- C8 H8 Mg O6 -","- C32 H32 Mg4 O24 -","4","0.5","BK0107","Kaduk, James A.","Terephthalate salts of dipositive cations","Acta Crystallographica Section B","2002","58","5","815","822","10.1107/S0108768102009102","","","1.14999","","","","","","","","","","","3.51","","","","","","","has coordinates","199609","2020-10-21","18:00:00",""
"2103337","18.695","0.004","6.5186","0.0013","7.3015","0.0016","90","","99.563","0.009","90","","877.4","0.3","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 Fe O6 -","- C8 H8 Fe O6 -","- C32 H32 Fe4 O24 -","4","0.5","BK0107","Kaduk, James A.","Terephthalate salts of dipositive cations","Acta Crystallographica Section B","2002","58","5","815","822","10.1107/S0108768102009102","","","1.54063","K=07~1~","","","","","","","","","","1.73","","","","","","","has coordinates","199609","2020-10-21","18:00:00",""
"2103338","6.874","0.0003","22.9815","0.0006","6.2999","0.0003","90","","90","","90","","995.23","0.07","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H10 Cu O7 -","- C8 H10 Cu O7 -","- C32 H40 Cu4 O28 -","4","0.5","BK0107","Kaduk, James A.","Terephthalate salts of dipositive cations","Acta Crystallographica Section B","2002","58","5","815","822","10.1107/S0108768102009102","","","1.54063","K=07~1~","","","","","","","","","","1.98","","","","","","","has coordinates","199609","2020-10-21","18:00:00",""
"2103339","18.7213","0.0013","6.596","0.0004","7.4035","0.0006","90","","99.287","0.003","90","","902.24","0.11","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 Mn O6 -","- C8 H8 Mn O6 -","- C32 H32 Mn4 O24 -","4","0.5","BK0107","Kaduk, James A.","Terephthalate salts of dipositive cations","Acta Crystallographica Section B","2002","58","5","815","822","10.1107/S0108768102009102","","","1.54063","K=07~1~","","","","","","","","","","1.76","","","","","","","has coordinates","199609","2020-10-21","18:00:00",""
"2103340","15.5079","","15.5079","","11.6143","","90","","90","","120","","2418.97","","","","","","","","","","","","","8","P 3 1 2","","","","","","- C77 H69 Co F6 N3 O2 P7 Pd2 -","- C81 H60 F6 N3 O2 P7 Pd3 -","- C81 H60 F6 N3 O2 P7 Pd3 -","1","0.166667","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103341","11.8152","","11.8152","","16.7019","","90","","90","","120","","2019.2","","","","","","","","","","","","","5","P 63/m","","","","","","- C18 H60 Al3 P3 Si6 -","- C18 H60 Al3 P3 Si6 -","- C36 H120 Al6 P6 Si12 -","2","0.166667","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103342","11.239","","11.239","","8.84","","90","","90","","120","","967.026","","","","","","","","","","","","","4","P 63/m","","","","","","- C16 H29 N3 O6 -","- C16 H27 N3 O6 -","- C32 H54 N6 O12 -","2","0.166667","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103343","12.038","","12.038","","14.342","","90","","90","","120","","1799.9","","","","","","","","","","","","","6","P -3","","","","","","- C48 H76 Fe5 N12 O2 S18 -","- C48 Fe5 N12 O6 S18 -","- C48 Fe5 N12 O6 S18 -","1","0.166667","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103344","27.171","","27.171","","12.225","","90","","90","","120","","7816.11","","","","","","","","","","","","","4","P -3","","","","","","- C7 H29 B11 N2 -","- C7 B11 N2 -","- C126 B198 N36 -","18","3","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103345","16.079","","16.079","","18.411","","90","","90","","120","","4122.17","","","","","","","","","","","","","5","P 3 2 1","","","","","","- C49 H126 In4 Si12 Te4 -","- C49 In4 Si12 Te4 -","- C98 In8 Si24 Te8 -","2","0.333333","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103346","7.59","","7.59","","43.99","","90","","90","","120","","2194.67","","","","","","","","","","","","","4","P 31 2 1","","","","","","- C15 H21 Br O3 -","- C15 H21 Br O3 -","- C90 H126 Br6 O18 -","6","1","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103347","9.971","","9.971","","28.304","","90","","90","","120","","2437","","","","","","","","","","","","","4","P 32 2 1","","","","","","- C32 H46 O8 S -","- C32 O8 S -","- C96 O24 S3 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103348","12.8071","","12.8071","","9.8157","","90","","90","","120","","1394.29","","","","","","","","","","","","","6","P 31 2 1","","","","","","- C18 H18 Cu N2 Ni O9 -","- C18 H12 Cu N2 Ni O10 -","- C54 H36 Cu3 N6 Ni3 O30 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103349","12.7701","","12.7701","","9.9409","","90","","90","","120","","1403.93","","","","","","","","","","","","","5","P 32 2 1","","","","","","- C18 H18 N2 Ni2 O9 -","- C18 H12 N2 Ni2 O10 -","- C54 H36 N6 Ni6 O30 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103350","8.059","","8.059","","25.187","","90","","90","","120","","1416.67","","","","","","","","","","","","","3","P 31 2 1","","","","","","- C22 H28 Fe2 -","- C22 Fe2 -","- C66 Fe6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103351","9.136","","9.136","","23.34","","90","","90","","120","","1687.11","","","","","","","","","","","","","5","P 31 2 1","","","","","","- C24 H20 Cl2 N4 Pd -","- C24 H20 Cl2 N4 Pd -","- C72 H60 Cl6 N12 Pd3 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103352","8.518","","8.518","","26.638","","90","","90","","120","","1673.81","","","","","","","","","","","","","5","P 31 2 1","","","","","","- C20 H38 Cl P S -","- C20 Cl P S -","- C60 Cl3 P3 S3 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103353","19.221","","19.221","","8.348","","90","","90","","120","","2670.95","","","","","","","","","","","","","5","P 62","","","","","","- C34 H36 N4 S3 Zn -","- C34 H36 N4 S3 Zn -","- C102 H108 N12 S9 Zn3 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103354","10.749","","10.749","","19.872","","90","","90","","120","","1988.42","","","","","","","","","","","","","6","P 31 1 2","","","","","","- C24 H22 N10 O3 Pd S2 -","- C24 H22 N10 O3 Pd S2 -","- C72 H66 N30 O9 Pd3 S6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199781","2020-10-21","18:00:00",""
"2103355","10.749","","10.749","","19.872","","90","","90","","120","","1988.42","","","","","","","","","","","","","6","P 31 2 1","","","","","","- C21 H51 O8 P5 Pd5 S4 -","- C18 O8 P5 Pd5 S4 -","- C54 O24 P15 Pd15 S12 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103356","10.729","","10.729","","19.82","","90","","90","","120","","1975.84","","","","","","","","","","","","","6","P 32 1 2","","","","","","- C24 H22 N10 O3 Pt S2 -","- C24 H22 N10 O3 Pt S2 -","- C72 H66 N30 O9 Pt3 S6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199781","2020-10-21","18:00:00",""
"2103357","8.154","","8.154","","5.512","","90","","90","","120","","317.381","","","","","","","","","","","","","4","P 32 2 1","","","","","","- C2 H3 N2 P -","- C2 H4 N2 P -","- C6 H12 N6 P3 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103358","8.1218","","8.1218","","5.8196","","90","","90","","120","","332.452","","","","","","","","","","","","","4","P 32 2 1","","","","","","- C2 H3 As N2 -","- C2 H4 As N2 -","- C6 H12 As3 N6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103359","8.1218","","8.1218","","5.8196","","90","","90","","120","","332.452","","","","","","","","","","","","","5","P 64","","","","","","- C14 H14 N2 O4 W -","- C14 H14 N2 O4 W -","- C42 H42 N6 O12 W3 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103360","8.971","","8.971","","34.01","","90","","90","","120","","2370.39","","","","","","","","","","","","","5","P 31 2 1","","","","","","- C34 H48 Co N2 O2 -","- C34 H42 Co N2 O2 -","- C102 H126 Co3 N6 O6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103361","7.373","","7.373","","10.878","","90","","90","","120","","512.116","","","","","","","","","","","","","4","P 32 2 1","","","","","","- C5 H13 B N2 -","- C5 H10 B N2 -","- C15 H30 B3 N6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103362","6.518","","6.518","","16.08","","90","","90","","90","","683.148","","","","","","","","","","","","","4","P 43 21 2","","","","","","- C5 H11 B N2 -","- C5 H11 B N2 -","- C20 H44 B4 N8 -","4","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199519","2020-10-21","18:00:00",""
"2103363","9.253","","9.253","","25.32","","90","","90","","120","","1877.41","","","","","","","","","","","","","5","P 31 1 2","","","","","","- C15 H34 Br4 N6 Zn2 -","- C15 H34 Br4 N6 Zn2 -","- C45 H102 Br12 N18 Zn6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2103364","12.9751","","12.9751","","29.685","","90","","90","","120","","4328.02","","","","","","","","","","","","","6","P 32 2 1","","","","","","- C52 H58 F12 O12 P2 Rh2 -","- C52 H52 F12 O12 P2 Rh2 -","- C156 H156 F36 O36 P6 Rh6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103365","13.114","","13.114","","21.004","","90","","90","","120","","3128.26","","","","","","","","","","","","","6","P 31 2 1","","","","","","- C32 H40 Er F12 Na O8 -","- C32 H40 Er F12 Na O8 -","- C96 H120 Er3 F36 Na3 O24 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103366","10.147","","10.147","","7.765","","90","","90","","120","","692.385","","","","","","","","","","","","","5","P 32 1 2","","","","","","- C6 H6 Ag N5 O3 -","- C10 Ag N8 O6 -","- C30 Ag3 N24 O18 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103367","13.178","","13.178","","21.043","","90","","90","","120","","3164.74","","","","","","","","","","","","","5","P 32 2 1","","","","","","- C34 H54 N2 Ni2 Si4 -","- C34 N2 Ni2 Si4 -","- C102 N6 Ni6 Si12 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103368","11.034","","11.034","","39.495","","90","","90","","120","","4164.27","","","","","","","","","","","","","6","P 31 2 1","","","","","","- C61 H52 Mo2 O8 P2 S2 -","- C61 H52 Mo2 O8 P2 S2 -","- C183 H156 Mo6 O24 P6 S6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103369","19.406","","19.406","","10.759","","90","","90","","120","","3508.93","","","","","","","","","","","","","6","P 31 2 1","","","","","","- C35 H37 Fe2 N5 O11 S2 -","- C35 Fe2 N6 O11 S2 -","- C105 Fe6 N18 O33 S6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103370","7.8645","","7.8645","","23.895","","90","","90","","120","","1279.91","","","","","","","","","","","","","4","P 32 2 1","","","","","","- C17 H24 N4 O3 -","- C17 N4 O3 -","- C51 N12 O9 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103371","12.712","","12.712","","41.053","","90","","90","","120","","5745.17","","","","","","","","","","","","","6","P 31 1 2","","","","","","- C48 H106 Cl3 Mn3 N8 O9 -","- C48 Cl3 Mn3 N8 O33 -","- C144 Cl9 Mn9 N24 O99 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103372","8.986","","8.986","","19.04","","90","","90","","120","","1331.47","","","","","","","","","","","","","6","P 32 2 1","","","","","","- C10 H7 Cr2 Cu N2 O10 -","- C10 H6 Cr2 Cu N2 O10 -","- C30 H18 Cr6 Cu3 N6 O30 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103373","9.28","","9.28","","19.329","","90","","90","","120","","1441.57","","","","","","","","","","","","","4","P 31 2 1","","","","","","- C20 H22 N4 O2 -","- C20 H22 N4 O2 -","- C60 H66 N12 O6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103374","22.753","","22.753","","53.02","","90","","90","","120","","23771","","","","","","","","","","","","","4","P 32 2 1","","","","","","- C216 H180 Hg32 Se50 -","- C216 Hg32 Se50 -","- C648 Hg96 Se150 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103375","14.305","","14.305","","32.852","","90","","90","","120","","5821.95","","","","","","","","","","","","","6","P 32 2 1","","","","","","- C22 H28 I O2 P2 V -","- C22 I O2 P2 V -","- C198 I9 O18 P18 V9 -","9","1.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103376","9.865","","9.865","","44.179","","90","","90","","120","","3723.41","","","","","","","","","","","","","5","P 32 2 1","","","","","","- C56 H42 N4 O9 Zn2 -","- C56 N4 O9 Zn2 -","- C168 N12 O27 Zn6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103377","11.026","","11.026","","27.253","","90","","90","","120","","2869.33","","","","","","","","","","","","","7","P 32 2 1","","","","","","- C37 H44 Cl Fe2 N2 O6 Pd2 -","- C37 H44 Cl2 Fe2 N2 O6 Pd2 -","- C111 H132 Cl6 Fe6 N6 O18 Pd6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103378","12.857","","12.857","","40.961","","90","","90","","120","","5863.82","","","","","","","","","","","","","6","P 31 1 2","","","","","","- C48 H110 Br3 Mn3 N8 O39 -","- C48 H72 Br3 Mn3 N8 O41 -","- C144 H216 Br9 Mn9 N24 O123 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103379","15.055","","15.066","","6.886","","90","","90","","120","","1352.62","","","","","","","","","","","","","5","P 64","","","","","","- C18 H16 Cl2 N2 O5 -","- C18 H16 Cl2 N2 O5 -","- C54 H48 Cl6 N6 O15 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103380","11.053","","11.053","","9.889","","90","","90","","120","","1046.27","","","","","","","","","","","","","5","P 31 2 1","","","","","","- C10 H20 Co N2 O9.5 -","- C10 H12 Co N2 O10 -","- C30 H36 Co3 N6 O30 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103381","12.115","","12.115","","36.851","","90","","90","","120","","4684.11","","","","","","","","","","","","","3","P 32 2 1","","","","","","- C30.5 H47 O9.5 -","- C29 O9 -","- C174 O54 -","6","1","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103382","15.914","","15.914","","11.658","","90","","90","","120","","2556.9","","","","","","","","","","","","","5","P 64","","","","","","- C32 H42 N2 P2 Si2 -","- C38 N2 P2 Si2 -","- C114 N6 P6 Si6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103383","8.539","","8.539","","28.123","","90","","90","","120","","1775.85","","","","","","","","","","","","","5","P 31 2 1","","","","","","- C24 H38 N2 O2 Os -","- C24 N2 O2 Os -","- C72 N6 O6 Os3 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103384","15.71","","15.71","","40.067","","90","","90","","120","","8563.87","","","","","","","","","","","","","6","P 32 2 1","","","","","","- C50 H46 N5 O21 P4 Pr -","- C50 N5 O21 P4 Pr -","- C300 N30 O126 P24 Pr6 -","6","1","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103385","12.846","","12.846","","8.138","","90","","90","","120","","1163.01","","","","","","","","","","","","","4","P 31 2 1","","","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C54 H54 N6 O6 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103386","17.618","","17.618","","17.618","","74.98","","74.98","","74.98","","4992.03","","","","","","","","","","","","","7","R 3 2 :R","P 3* 2","155","","","","- C35 H35 B F4 N3 Nb2 O4 -","- C36 B1.33333 F8 N4 Nb2 O5 -","- C108 B4 F24 N12 Nb6 O15 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199474","2020-10-21","18:00:00",""
"2103387","12.722","","12.722","","26.127","","90","","90","","120","","3662.11","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H20 O4 S2 Si2 -","- C8 H20 O4 S2 Si2 -","- C72 H180 O36 S18 Si18 -","9","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","208365","2020-10-21","18:00:00",""
"2103388","38.26","","38.26","","5.605","","90","","90","","120","","7105.52","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H6 O2.04 S0.02 -","- C6 H6 O2 -","- C324 H324 O108 -","54","3","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","208364","2020-10-21","18:00:00",""
"2103389","16.861","","16.861","","5.611","","90","","90","","120","","1381.46","","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C15 H21 Ni3 P3 -","- C15 Ni3 P3 -","- C45 Ni9 P9 -","3","0.166667","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","208817","2020-10-21","18:00:00",""
"2103390","12.342","","12.342","","17.412","","90","","90","","120","","2296.94","","","","","","","","","","","","","5","R 3 2","","","","","","- C18 H36 Bi P3 S6 -","- C18 H36 Bi P3 S6 -","- C54 H108 Bi3 P9 S18 -","3","","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103391","7.5675","","7.5675","","34.703","","90","","90","","120","","1721.09","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C3 H6 B2 F8 O6 Ru -","- C3 H6 B2 F8 O6 Ru -","- C18 H36 B12 F48 O36 Ru6 -","6","0.333333","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","208365","2020-10-21","18:00:00",""
"2103392","14.555","","14.555","","11.446","","90","","90","","120","","2099.95","","","","","","","","","","","","","3","R -3 m","","","","","","- C24 H54 N8 -","- C42 N8 -","- C126 N24 -","3","","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103393","11.538","","11.538","","25.818","","90","","90","","120","","2976.56","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C48 H42 Ge2 -","- C48 Ge2 -","- C144 Ge6 -","3","0.166667","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","208365","2020-10-21","18:00:00",""
"2103394","14.411","","14.411","","16.658","","90","","90","","120","","2996","","","","","","","","","","","","","5","R -3 m","","","","","","- C15 H9 O9 Os3 Rh -","- C15 H9 O9 Os3 Rh -","- C90 H54 O54 Os18 Rh6 -","6","","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103395","7.967","","7.967","","27.439","","90","","90","","120","","1508.3","","","","","","","","","","","","","5","R 3 2","","","","","","- C12 H24 Bi N5 O12 -","- C12 Bi N5 O12 -","- C36 Bi3 N15 O36 -","3","","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103396","9.8243","","9.8243","","22.098","","90","","90","","120","","1847.08","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C H B11 Br11 Cs -","- B12 Br12 Cs2 -","- B36 Br36 Cs6 -","3","0.166667","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","208365","2020-10-21","18:00:00",""
"2103397","12.209","","12.209","","12.209","","90","","90","","90","","1819.87","","","","","","","","","","","","","4","I -4 3 m","","","","","","- C28 H60 Ga4 S4 -","- C40 Ga4 S4 -","- C80 Ga8 S8 -","2","0.0416667","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103398","12.346","","12.346","","12.346","","90","","90","","90","","1881.82","","","","","","","","","","","","","4","I -4 3 m","","","","","","- C28 H60 Ga4 Se4 -","- C40 Ga4 Se4 -","- C80 Ga8 Se8 -","2","0.0416667","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103399","24.469","","24.469","","10.581","","90","","90","","120","","5486.43","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H20 Cu F6 O6 -","- C16 H20 Cu F6 O6 -","- C144 H180 Cu9 F54 O54 -","9","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","208365","2020-10-21","18:00:00",""
"2103400","8.114","","8.114","","35.96","","90","","90","","120","","2050.31","","","","","","","","","","","","","6","R 3 2","","","","","","- C12 H36 Bi3 Cl3 N6 O12 -","- C12 Bi3 Cl4 N6 O11 -","- C36 Bi9 Cl12 N18 O33 -","3","","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103401","15.445","","15.445","","21.06","","90","","90","","120","","4350.76","","","","","","","","","","","","","7","R 3 2","","","","","","- C18 H74 Cl12 Cr3 Fe N18 O -","- C18 Cl14 Cr3 Fe N18 O6 -","- C54 Cl42 Cr9 Fe3 N54 O18 -","3","","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103402","15.346","","15.346","","20.88","","90","","90","","120","","4258.45","","","","","","","","","","","","","7","R 3 2","","","","","","- C18 H74 Cl12 Co3 Fe N18 O -","- C18 Cl15 Co3 Fe N18 O2 -","- C54 Cl45 Co9 Fe3 N54 O6 -","3","","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103403","14.138","","14.138","","51.536","","90","","90","","120","","8921.08","","","","","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C68 H56 Ag Cl N4 O4 P4 -","- C72 Ag Cl O8 P4 -","- C432 Ag6 Cl6 O48 P24 -","6","0.333333","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","208365","2020-10-21","18:00:00",""
"2103404","17.436","","17.436","","10.907","","90","","90","","120","","2871.64","","","","","","","","","","","","","5","R 3 2","","","","","","- C27 H33 N3 O13 Ru3 -","- C27 H33 N3 O13 Ru3 -","- C81 H99 N9 O39 Ru9 -","3","","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103405","28.042","","28.042","","28.042","","118.64","","118.64","","118.64","","6636.45","","","","","","","","","","","","","4","R -3 :R","P 3* 2","148","","","","- C62 H70 N8 O6 -","- C62 N8 O6 -","- C186 N24 O18 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199474","2020-10-21","18:00:00",""
"2103406","11.308","","11.308","","52.56","","90","","90","","120","","5820.46","","","","","","","","","","","","","7","R -3 m","","","","","","- C26 H56 Au B Cl6 F4 P2 -","- C25 H55 Au0.5 B Cl6 F7 P -","- C150 H330 Au3 B6 Cl36 F42 P6 -","6","","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2103407","12.28593","0.00006","8.53351","0.00004","8.49385","0.00004","90","","90","","90","","890.513","0.007","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","?","- C40 H48 N8 -","- C40 H48 N8 -","","","BM0051","Nowell, Harriott; Attfield, J. Paul; Cole, Jason C.","The use of restraints in Rietveld refinement of molecular compounds; a case study using the crystal structure determination of tryptamine free base","Acta Crystallographica Section B","2002","58","5","835","840","10.1107/S0108768102011370","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103408","18.7407","0.0008","18.7407","0.0008","9.1004","0.0004","90","","90","","90","","3196.2","0.2","273","","273","","","","","","","","","5","I 41/a :2","-I 4ad","88","","ortho-toluenesulfonamide","","- C7 H9 N O2 S -","- C7 H9 N O2 S -","- C112 H144 N16 O32 S16 -","16","1","BM0052","Tremayne, Maryjane; Seaton, Colin C.; Glidewell, Christopher","Structures of three substituted arenesulfonamides from X-ray powder diffraction data using the differential evolution technique","Acta Crystallographica Section B","2002","58","5","823","834","10.1107/S0108768102011928","","","1.54056","CuKα~1~","","","","","","","","","","3.417","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103409","8.8424","0.0003","13.4933","0.0004","7.0732","0.0002","90","","100.466","0.002","90","","829.89","0.04","273","","273","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-nitrobenzenesulfonamide","","- C6 H6 N2 O4 S -","- C6 H6 N2 O4 S -","- C24 H24 N8 O16 S4 -","4","1","BM0052","Tremayne, Maryjane; Seaton, Colin C.; Glidewell, Christopher","Structures of three substituted arenesulfonamides from X-ray powder diffraction data using the differential evolution technique","Acta Crystallographica Section B","2002","58","5","823","834","10.1107/S0108768102011928","","","1.54056","CuKα","","","","","","","","","","5.812","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103410","7.7169","0.0002","8.0514","0.0002","7.0334","0.0002","90","","110.274","0.001","90","","409.924","0.019","273","","273","","","","","","","","","5","P 1 21 1","P 2yb","4","","3-nitrobenzenesulfonamide","","- C6 H6 N2 O4 S -","- C6 H6 N2 O4 S -","- C12 H12 N4 O8 S2 -","2","1","BM0052","Tremayne, Maryjane; Seaton, Colin C.; Glidewell, Christopher","Structures of three substituted arenesulfonamides from X-ray powder diffraction data using the differential evolution technique","Acta Crystallographica Section B","2002","58","5","823","834","10.1107/S0108768102011928","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103411","8.178","","14.347","","7.628","","90","","100.31","","90","","880.541","","","","298","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","catena-((2-pyrazine-1,4-diyl)-tetrakis(2-acetato-O,O')-dimolybdenum (II))","","- C12 H16 Mo2 N2 O8 -","- C12 Mo2 N2 O8 -","- C24 Mo4 N4 O16 -","2","0.25","BM0053","Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe","Some errors from the crystallographic literature, some amplifications and a questionable result","Acta Crystallographica Section B","2002","58","5","884","892","10.1107/S0108768102010261","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103412","8.091","","15.818","","7.864","","90","","103.05","","90","","980.468","","","","298","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","catena-((2-(1,4-diazobicyclo[2.2.2]-octane-1,4-diyl)-tetrakis(2-acetato-O,O')- dimolybdenum (II))","","- C14 H24 Mo2 N2 O8 -","- C8 Mo2 N2 O8 -","- C16 Mo4 N4 O16 -","2","0.25","BM0053","Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe","Some errors from the crystallographic literature, some amplifications and a questionable result","Acta Crystallographica Section B","2002","58","5","884","892","10.1107/S0108768102010261","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103413","23.2","","8.472","","14.801","","90","","118.41","","90","","2558.78","","","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-((2-(4,4-bipyridine)-1,4-diyl)-tetrakis(2-acetato-O,O')- dimolybdenum (II))","","- C22 H28 Mo2 N2 O9 -","- C18 Mo2 N2 O8 -","- C72 Mo8 N8 O32 -","4","0.5","BM0053","Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe","Some errors from the crystallographic literature, some amplifications and a questionable result","Acta Crystallographica Section B","2002","58","5","884","892","10.1107/S0108768102010261","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103414","15.804","","16.73","","16.348","","90","","110.21","","90","","4056.31","","","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[(tris-(2-pyridylmethyl)amine)BrV(_-O)VBr(tris-(2-pyridylmethyl)amine)]Br. H2O","","- C36 H40 Br4 N6 O3 V2 -","- C36 Br4 N8 O3 V2 -","- C144 Br16 N32 O12 V8 -","4","0.5","BM0053","Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe","Some errors from the crystallographic literature, some amplifications and a questionable result","Acta Crystallographica Section B","2002","58","5","884","892","10.1107/S0108768102010261","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103415","19.531","","11.459","","8.067","","90","","90","","90","","1805.44","","","","298","","","","","","","","","3","C m c 21","C 2c -2","36","","4-Methyl-2,6-bis(4-methylbenzylidene)cyclohexanone","","- C23 H24 O -","- C23 O -","- C92 O4 -","4","0.5","BM0053","Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe","Some errors from the crystallographic literature, some amplifications and a questionable result","Acta Crystallographica Section B","2002","58","5","884","892","10.1107/S0108768102010261","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103416","21.838","","9.291","","9.647","","90","","90","","90","","1957.35","","","","298","","","","","","","","","4","C m c 21","C 2c -2","36","","2,6-bis(4-dimethylaminobenzylidene)cyclohexanone","","- C24 H28 N2 O -","- C24 N2 O -","- C96 N8 O4 -","4","0.5","BM0053","Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe","Some errors from the crystallographic literature, some amplifications and a questionable result","Acta Crystallographica Section B","2002","58","5","884","892","10.1107/S0108768102010261","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103417","9.674","","12.942","","6.994","","99.26","","108.92","","87.4","","817.529","","","","296","","","","","","","","","6","P -1","-P 1","2","","K[Cr(tetramethylenediamine-N,N,N',N'-tetraacetate)].H2O","","- C12 H18 Cr K N2 O9 -","- C12 Cr K N2 O9 -","- C24 Cr2 K2 N4 O18 -","2","1","BM0053","Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe","Some errors from the crystallographic literature, some amplifications and a questionable result","Acta Crystallographica Section B","2002","58","5","884","892","10.1107/S0108768102010261","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103418","9.409","","13.743","","7.519","","104.391","","95.457","","93.973","","933.127","","","","293","","","","","","","","","3","P -1","-P 1","2","","{2(11,11-dimethyl-3,4:8,9-dibenzobicyclo[4.4.1]undeca-3,8-diene)- (tetracyanoethylene)}","","- C48 H48 N4 -","- C48 N4 -","- C48 N4 -","1","0.5","BM0053","Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe","Some errors from the crystallographic literature, some amplifications and a questionable result","Acta Crystallographica Section B","2002","58","5","884","892","10.1107/S0108768102010261","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103419","11.529","","22.081","","16.544","","90","","108.28","","90","","3999.1","","","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(-phenylsulfido)tricarbonyl-manganese","","- C36 H20 Mn4 O12 S4 -","- C36 Mn4 O12 S4 -","- C144 Mn16 O48 S16 -","4","0.5","BM0053","Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe","Some errors from the crystallographic literature, some amplifications and a questionable result","Acta Crystallographica Section B","2002","58","5","884","892","10.1107/S0108768102010261","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103420","19.177","","8.199","","16.246","","90","","100.1","","90","","2514.81","","","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Cu(H2O)(phenanthroline)2](ClO4)2","","- C24 H18 Cl2 Cu N4 O9 -","- C24 H18 Cu N4 O -","- C96 H72 Cu4 N16 O4 -","4","0.5","BM0053","Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe","Some errors from the crystallographic literature, some amplifications and a questionable result","Acta Crystallographica Section B","2002","58","5","884","892","10.1107/S0108768102010261","","","","","","","","","","","","","","","","","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2103421","16.854","","15.626","","19.144","","90","","114.785","","90","","4577.36","","","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","{[Ni(1,4-bis(4-pyridyl)benzene)2-(H2O)2](benzene).-5MeOH.2(NO3)2}","","- C43 H54 N6 Ni O13 -","- C43 N6 Ni O14 -","- C172 N24 Ni4 O56 -","4","0.5","BM0053","Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe","Some errors from the crystallographic literature, some amplifications and a questionable result","Acta Crystallographica Section B","2002","58","5","884","892","10.1107/S0108768102010261","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103422","13.6359","","24.875","","15.217","","90","","99.604","","90","","5089.16","","","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","{[Ni(1,4-bis(4-pyridyl)anthracene)2(NO3)2].2(nitrobenzene)}","","- C60 H42 N8 Ni O10 -","- C48 N4 Ni -","- C192 N16 Ni4 -","4","0.5","BM0053","Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe","Some errors from the crystallographic literature, some amplifications and a questionable result","Acta Crystallographica Section B","2002","58","5","884","892","10.1107/S0108768102010261","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103423","23.522","","5.459","","8.781","","90","","96.66","","90","","1119.93","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,2'-Bi-1H-imidazolium dipicrate","","- C18 H12 N10 O14 -","- C18 N10 O14 -","- C36 N20 O28 -","2","0.5","BM0053","Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe","Some errors from the crystallographic literature, some amplifications and a questionable result","Acta Crystallographica Section B","2002","58","5","884","892","10.1107/S0108768102010261","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103424","29.422","","12.304","","5.071","","90","","94.06","","90","","1831.14","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","{tris(2,2'-bi-1H-imidazole) bis(2-(2-1H-imidazolyl)-1H-imidazolium) bis(iodide)","","- C30 H32 I2 N20 -","- C30 I2 N20 -","- C60 I4 N40 -","2","0.5","BM0053","Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe","Some errors from the crystallographic literature, some amplifications and a questionable result","Acta Crystallographica Section B","2002","58","5","884","892","10.1107/S0108768102010261","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103425","8.982","","20.803","","5.794","","90.51","","102.92","","99.65","","1039.07","","","","","","","","","","","","","6","P -1","-P 1","2","","_-( bis(ethylenedithio)tetrafulvalene)2 (CsCd)(SCN)4","","- C24 H16 Cd Cs N4 S20 -","- C24 Cd Cs N4 S20 -","- C24 Cd Cs N4 S20 -","1","0.5","BM0053","Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe","Some errors from the crystallographic literature, some amplifications and a questionable result","Acta Crystallographica Section B","2002","58","5","884","892","10.1107/S0108768102010261","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103426","6.6524","0.0005","6.9466","0.0004","16.0497","0.0009","90","","90","","90","","741.68","0.08","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","aminoguanidinium pentafluorozirconate","aminoguanidinium pentafluorozirconate","","- C H7 F5 N4 Zr -","- C H7 F5 N4 Zr -","- C4 H28 F20 N16 Zr4 -","4","0.5","BR0112","Ross II, C. R.; Bauer, M. R.; Nielson, R. M.; Abrahams, S. C.","Aminoguanidinium(1+) pentafluorozirconate: multiple redetermination and comparisons","Acta Crystallographica Section B","2002","58","5","841","848","10.1107/S0108768102012624","","","0.71065","MoKα","","0.0322","0.0278","","0.0759","0.0737","0.076","","","","","","1.221","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103427","6.6404","0.0006","6.8981","0.0005","15.9872","0.0009","90","","90","","90","","732.31","0.09","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","aminoguanidinium pentafluorozirconate","aminoguanidinium pentafluorozirconate","","- C H7 F5 N4 Zr -","- C H7 F5 N4 Zr -","- C4 H28 F20 N16 Zr4 -","4","0.5","BR0112","Ross II, C. R.; Bauer, M. R.; Nielson, R. M.; Abrahams, S. C.","Aminoguanidinium(1+) pentafluorozirconate: multiple redetermination and comparisons","Acta Crystallographica Section B","2002","58","5","841","848","10.1107/S0108768102012624","","","1.5418","CuKα","","0.0188","0.0186","","0.0456","0.0455","0.046","","","","","","1.339","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103428","6.6485","0.0004","6.934","0.0004","16.0344","0.0004","90","","90","","90","","739.2","0.06","283","2","283","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","aminoguanidinium pentafluorozirconate","aminoguanidinium pentafluorozirconate","","- C H7 F5 N4 Zr -","- C H7 F5 N4 Zr -","- C4 H28 F20 N16 Zr4 -","4","0.5","BR0112","Ross II, C. R.; Bauer, M. R.; Nielson, R. M.; Abrahams, S. C.","Aminoguanidinium(1+) pentafluorozirconate: multiple redetermination and comparisons","Acta Crystallographica Section B","2002","58","5","841","848","10.1107/S0108768102012624","","","0.71065","MoKα","","0.0167","","","0.0408","0.0396","0.0408","","","","","","1.199","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103429","6.035","0.001","8.39","0.001","9.389","0.002","84.29","0.01","76.37","0.01","77.95","0.01","451.2","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(1R*,2R*)-trans-2-hydroxy-1-cyclooctanecarboxylic acid","","- C9 H16 O3 -","- C9 H16 O3 -","- C18 H32 O6 -","2","1","DE0017","Kálmán, Alajos; Fábián, László; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna","Predictable close-packing similarities between <i>cis</i>- and <i>trans</i>-2-hydroxy-1-cyclooctanecarboxylic acids and <i>trans</i>-2-hydroxy-1-cyclooctanecarboxamide","Acta Crystallographica Section B","2002","58","5","855","863","10.1107/S0108768102009631","","","0.71073","MOkα","","0.0693","0.0442","","","0.1284","0.1417","","","","","","0.949","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103430","6.76","0.001","7.314","0.001","11.217","0.001","79.22","0.01","74.12","0.01","69.45","0.01","496.93","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(1R*,2R*)-trans-2-hydroxy-1-cyclooctanecarboxamide ?","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C18 H34 N2 O4 -","2","1","DE0017","Kálmán, Alajos; Fábián, László; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna","Predictable close-packing similarities between <i>cis</i>- and <i>trans</i>-2-hydroxy-1-cyclooctanecarboxylic acids and <i>trans</i>-2-hydroxy-1-cyclooctanecarboxamide","Acta Crystallographica Section B","2002","58","5","855","863","10.1107/S0108768102009631","","","0.71073","MOkα","","0.1043","0.0431","","","0.1225","0.1464","","","","","","0.837","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103431","11.082","0.001","7.618","0.001","11.579","0.001","90","","105.67","0.01","90","","941.2","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1R*,2S*)-cis-2-hydroxy-1-cyclooctanecarboxylic acid","","- C9 H16 O3 -","- C9 H16 O3 -","- C36 H64 O12 -","4","1","DE0017","Kálmán, Alajos; Fábián, László; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna","Predictable close-packing similarities between <i>cis</i>- and <i>trans</i>-2-hydroxy-1-cyclooctanecarboxylic acids and <i>trans</i>-2-hydroxy-1-cyclooctanecarboxamide","Acta Crystallographica Section B","2002","58","5","855","863","10.1107/S0108768102009631","","","0.71073","MOkα","","0.1098","0.0502","","","0.1361","0.1543","","","","","","0.847","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103432","8.997","0.005","14.866","0.006","6.499","0.003","92.03","0.03","89.92","0.06","107.01","0.04","830.7","0.7","180","0.2","","","","","","","","","","4","P -1","-P 1","2","","","","- H8 O16 P4 Tl4 -","- H8 O16 P4 Tl4 -","- H16 O32 P8 Tl8 -","2","1","NA0131","Álvarez-Otero, E.; Madariaga, G.; Peral, I.; Folcia, C. L.; Ríos, S.","Structural study of the low-temperature phase of TlH~2~PO~4~ at 180K","Acta Crystallographica Section B","2002","58","5","750","759","10.1107/S0108768102010066","","","0.71073","MoKα","","0.1001","0.0631","","","0.1656","0.1801","","","","1.75","1.75","1.32","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103433","8.997","0.005","14.866","0.006","6.499","0.003","92.03","0.03","89.92","0.06","107.01","0.04","830.7","0.7","180","0.2","","","","","","","","","","4","P -1","-P 1","2","","","","- H8 O16 P4 Tl4 -","- H8 O16 P4 Tl4 -","- H16 O32 P8 Tl8 -","2","1","NA0131","Álvarez-Otero, E.; Madariaga, G.; Peral, I.; Folcia, C. L.; Ríos, S.","Structural study of the low-temperature phase of TlH~2~PO~4~ at 180K","Acta Crystallographica Section B","2002","58","5","750","759","10.1107/S0108768102010066","","","0.71073","MoKα","","0.1001","0.0631","","","0.1656","0.1801","","","","1.75","1.75","1.32","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103434","30.9616","0.0007","7.8147","0.0002","12.1521","0.0003","90","","109.709","0.0012","90","","2768.02","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dimethylamine‒ferrocene-1,1'-dicarboxylic acid (1/1)","","- C14 H17 Fe N O4 -","- C14 H17 Fe N O4 -","- C112 H136 Fe8 N8 O32 -","8","1","NA0136","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2002","58","5","786","802","10.1107/S010876810200976X","","","0.71073","MoKα","","0.0343","0.0278","","","0.0678","0.0715","","","","","","1.034","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103435","7.4666","0.0003","10.7846","0.0005","11.3184","0.0006","104.897","0.002","99.153","0.002","105.238","0.002","824.32","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1,4-Diazabicyclo[2.2.2]octane‒ferrocene-1,1'-dicarboxylic acid (1/1)","","- C18 H22 Fe N2 O4 -","- C18 H22 Fe N2 O4 -","- C36 H44 Fe2 N4 O8 -","2","1","NA0136","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2002","58","5","786","802","10.1107/S010876810200976X","","","0.71073","MoKα","","0.0618","0.04","","","0.0879","0.0972","","","","","","1.029","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103436","7.4018","0.0002","9.2018","0.0003","30.3884","0.0011","90","","101.063","0.0015","90","","2031.29","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Morpholine‒ferrocene-1,1'-dicarboxylic acid‒water (2/1/1)","","- C20 H30 Fe N2 O7 -","- C20 H30 Fe N2 O7 -","- C80 H120 Fe4 N8 O28 -","4","1","NA0136","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2002","58","5","786","802","10.1107/S010876810200976X","","","0.71073","MoKα","","0.0973","0.0466","","","0.0855","0.0998","","","","","","1.03","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103437","6.95","0.0002","10.7645","0.0003","12.526","0.0004","97.878","0.0011","92.096","0.0011","102.998","0.0013","902.27","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","4,4'-Bipyridyl‒ferrocene-1,1'-dicarboxylic acid (1/1)","","- C22 H18 Fe N2 O4 -","- C22 H18 Fe N2 O4 -","- C44 H36 Fe2 N4 O8 -","2","1","NA0136","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2002","58","5","786","802","10.1107/S010876810200976X","","","0.71073","MoKα","","0.0604","0.038","","","0.08","0.0888","","","","","","1.029","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103438","6.349","0.0002","9.6089","0.0004","12.1674","0.0004","98.738","0.002","100.38","0.002","91.229","0.0017","720.76","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Octylamine‒ferrocene-1,1'-dicarboxylic acid (2/1)","","- C28 H48 Fe N2 O4 -","- C28 H48 Fe N2 O4 -","- C28 H48 Fe N2 O4 -","1","0.5","NA0136","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2002","58","5","786","802","10.1107/S010876810200976X","","","0.71073","MoKα","","0.0663","0.0436","","","0.0828","0.0909","","","","","","1.068","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103439","5.988","0.0003","19.475","0.0012","13.434","0.0009","90","","99.058","0.003","90","","1547.09","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Piperidine‒ferrocene-1,1'-dicarboxylic acid (1/1)","","- C17 H21 Fe N O4 -","- C17 H21 Fe N O4 -","- C68 H84 Fe4 N4 O16 -","4","1","NA0136","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2002","58","5","786","802","10.1107/S010876810200976X","","","0.71073","MoKα","","0.0788","0.045","","","0.0948","0.1074","","","","","","1.051","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103440","10.3588","0.0002","11.9612","0.0002","22.7731","0.0005","74.969","0.0008","78.066","0.0008","64.459","0.001","2444.18","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Dicyclohexylamine-ferrocene-1,1'-dicarboxylic acid‒tetrahydrofuran (2/2/1)","","- C52 H74 Fe2 N2 O9 -","- C52 H74 Fe2 N2 O9 -","- C104 H148 Fe4 N4 O18 -","2","1","NA0136","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2002","58","5","786","802","10.1107/S010876810200976X","","","0.71073","MoKα","","0.0615","0.0407","","","0.0928","0.1022","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103441","9.736","0.0019","13.661","0.003","22.855","0.005","97.51","0.03","99.09","0.03","91.11","0.03","2973.4","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Tris-(2-aminoethyl)amine‒ferrocene-1,1'-dicarboxylic acid (2/3)","","- C48 H66 Fe3 N8 O12 -","- C48 H66 Fe3 N8 O12 -","- C96 H132 Fe6 N16 O24 -","2","1","NA0136","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2002","58","5","786","802","10.1107/S010876810200976X","","","0.71073","MoKα","","0.0807","0.0624","","","0.1525","0.1604","","","","","","1.093","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103442","12.6828","0.0004","13.2119","0.0004","14.3107","0.0004","64.487","0.0014","68.446","0.0012","72.255","0.0015","1981.88","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Tyramne‒ferrocene-1,1'-dicarboxylic acid (2/1)","","- C28 H32 Fe N2 O6 -","- C28 H32 Fe N2 O6 -","- C84 H96 Fe3 N6 O18 -","3","1.5","NA0136","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2002","58","5","786","802","10.1107/S010876810200976X","","","0.71073","MoKα","","0.094","0.0563","","","0.1295","0.1504","","","","","","1.033","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103443","8.0664","0.0004","10.7191","0.0005","14.5692","0.0009","90","","99.026","0.002","90","","1244.12","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Nitrobenzylidene-2'-iodoaniline","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C52 H36 I4 N8 O8 -","4","1","NA0138","Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.","Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2002","58","5","864","876","10.1107/S0108768102009941","","","0.71073","MoKα","","0.0846","0.0401","","","0.0633","0.0736","","","","","","0.982","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103444","7.9059","0.0003","22.623","0.0007","7.6095","0.0002","90","","113.755","0.001","90","","1245.69","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","23-Nitrobenzylidene-2'-iodoaniline","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C52 H36 I4 N8 O8 -","4","1","NA0138","Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.","Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2002","58","5","864","876","10.1107/S0108768102009941","","","0.71073","MoKα","","0.0459","0.0385","","","0.0972","0.1012","","","","","","1.067","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103445","10.1401","0.0007","13.7454","0.001","9.7829","0.0006","90","","113.961","0.004","90","","1246.03","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Nitrobenzylidene-2'-iodoanilinb-Nitrobenzylidene-2'-iodoanilin","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C52 H36 I4 N8 O8 -","4","1","NA0138","Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.","Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2002","58","5","864","876","10.1107/S0108768102009941","","","0.71073","MoKα","","0.0746","0.0423","","","0.0871","0.0981","","","","","","1.005","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103446","12.0589","0.0006","4.5562","0.0002","22.9725","0.0014","90","","97.397","0.0018","90","","1251.67","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Nitrobenzylidene-3'-iodoaniline","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C52 H36 I4 N8 O8 -","4","1","NA0138","Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.","Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2002","58","5","864","876","10.1107/S0108768102009941","","","0.71073","MoKα","","0.0574","0.032","","","0.0556","0.0627","","","","","","0.945","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103447","7.4741","0.0003","11.3487","0.0004","14.2039","0.0006","90","","90","","90","","1204.79","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Nitrobenzylidene-3'-iodoaniline","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C52 H36 I4 N8 O8 -","4","1","NA0138","Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.","Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2002","58","5","864","876","10.1107/S0108768102009941","","","0.71073","MoKα","","0.0662","0.0475","","","0.094","0.1003","","","","","","1.003","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103448","7.1179","0.0002","12.3905","0.0003","13.6983","0.0005","90","","90","","90","","1208.11","0.06","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Nitrobenzylidene-3'-iodoaniline","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C52 H36 I4 N8 O8 -","4","1","NA0138","Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.","Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2002","58","5","864","876","10.1107/S0108768102009941","","","0.71073","MoKα","","0.0331","0.0288","","","0.0689","0.0783","","","","","","1.11","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103449","52.458","0.002","4.3786","0.0002","23.5973","0.0013","90","","114.185","0.002","90","","4944.4","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Nitrobenzylidene-4'-iodoaniline","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C208 H144 I16 N32 O32 -","16","2","NA0138","Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.","Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2002","58","5","864","876","10.1107/S0108768102009941","","","0.71073","MoKα","","0.1931","0.0594","","","0.0716","0.0986","","","","","","0.839","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103450","7.2646","0.0001","11.8251","0.0002","15.0057","0.0003","103.246","0.0006","98.3999","0.0007","91.6291","0.001","1238.74","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-Nitrobenzylidene-4'-iodoaniline","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C52 H36 I4 N8 O8 -","4","2","NA0138","Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.","Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2002","58","5","864","876","10.1107/S0108768102009941","","","0.71073","MoKα","","0.0347","0.0299","","","0.0741","0.0769","","","","","","1.026","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103451","8.692","0.001","9.216","0.001","6.146","0.001","95.094","0.003","95.492","0.003","64.5","0.003","441.71","0.1","120","","120","","","","","","","","","4","P -1","-P 1","2","Barium oxalate hemihydrate","","","- C4 H2 Ba2 O9 -","- C4 H2 Ba2 O9 -","- C8 H4 Ba4 O18 -","2","1","OS0083","Christensen, Axel Nørlund; Hazell, Rita Grønbæk; Madsen, Ian Charles","Synthesis and characterization of the barium oxalates BaC~2~O~4~·0.5H~2~O, α-BaC~2~O~4~ and β-BaC~2~O~4~","Acta Crystallographica Section B","2002","58","5","808","814","10.1107/S0108768101020717","","","0.71073","MoKα","","","0.05","","","","0.054","","","","","","1.2","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103452","14.1635","0.0008","14.1635","0.0008","9.8702","0.0005","90","","90","","120","","1714.74","0.16","150","2","150","2","","","","","","","","4","P 61","P 61","169","","L-Ala-L-Val acetonitrile solvate","","- C8.7 H17.05 N2.35 O3 -","- C8.827 H16 N2.376 O3 -","- C52.962 H96 N14.256 O18 -","6","1","OS0094","Görbitz, Carl Henrik","An exceptionally stable peptide nanotube system with flexible pores","Acta Crystallographica Section B","2002","58","5","849","854","10.1107/S0108768102012314","","","0.71073","MoKα","","0.0431","0.0352","","","0.0861","0.0903","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2103453","14.2957","0.0003","14.2957","0.0003","9.9077","0.0002","90","","90","","120","","1753.53","0.06","150","2","150","2","","","","","","","","4","P 61","P 61","169","","L-Ala-L-Val","","- C8 H16 N2 O3 -","- C8 H16 N2 O3 -","- C48 H96 N12 O18 -","6","1","OS0094","Görbitz, Carl Henrik","An exceptionally stable peptide nanotube system with flexible pores","Acta Crystallographica Section B","2002","58","5","849","854","10.1107/S0108768102012314","","","0.71073","MoKα","","0.0438","0.0358","","","0.0906","0.0952","","","","","","1.042","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103454","14.3102","0.001","14.3102","0.001","9.8997","0.0007","90","","90","","120","","1755.7","0.2","150","2","150","2","","","","","","","","4","P 61","P 61","169","","L-Ala-L-Val methanol solvate","","- C10 H16 N2 O3 -","- C9.886 H16 N2 O3 -","- C59.316 H96 N12 O18 -","6","1","OS0094","Görbitz, Carl Henrik","An exceptionally stable peptide nanotube system with flexible pores","Acta Crystallographica Section B","2002","58","5","849","854","10.1107/S0108768102012314","","","0.71073","MoKα","","0.0661","0.0562","","","0.1452","0.1511","","","","","","1.23","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103455","28.7247","0.0016","28.7247","0.0016","9.9009","0.0008","90","","90","","120","","7074.8","0.8","150","2","293","2","","","","","","","","4","P 61","P 61","169","","L-Ala-L-Val 2-propanol solvate","","- C8.51 H15.6 N2 O3.44 -","- C8.53475 H15.5857 N1.997 O3.46125 -","- C204.834 H374.058 N47.928 O83.07 -","24","4","OS0094","Görbitz, Carl Henrik","An exceptionally stable peptide nanotube system with flexible pores","Acta Crystallographica Section B","2002","58","5","849","854","10.1107/S0108768102012314","","","0.71073","MoKα","","0.1015","0.1006","","","0.2703","0.2707","","","","","","1.195","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2103456","10.1053","0.0002","10.1053","0.0002","10.1053","0.0002","90","","90","","90","","1031.92","0.04","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Er K2 O12 P3 Ti -","- Er K2 O12 P3 Ti -","- Er4 K8 O48 P12 Ti4 -","4","0.333333","OS0095","Norberg, Stefan T.","New phosphate langbeinites, K~2~<i>M</i>Ti(PO~4~)~3~ (<i>M</i> = Er, Yb or Y), and an alternative description of the langbeinite framework","Acta Crystallographica Section B","2002","58","5","743","749","10.1107/S0108768102013782","","","0.71073","MoKα","","0.025","0.023","","0.077","0.074","0.077","","","1.06","","","1.06","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103457","10.0939","0.0008","10.0939","0.0008","10.0939","0.0008","90","","90","","90","","1028.44","0.14","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- K2 O12 P3 Ti Yb -","- K2 O12 P3 Ti Yb -","- K8 O48 P12 Ti4 Yb4 -","4","0.333333","OS0095","Norberg, Stefan T.","New phosphate langbeinites, K~2~<i>M</i>Ti(PO~4~)~3~ (<i>M</i> = Er, Yb or Y), and an alternative description of the langbeinite framework","Acta Crystallographica Section B","2002","58","5","743","749","10.1107/S0108768102013782","","","0.71073","MoKα","","0.032","0.022","","0.066","0.058","0.066","","","1.081","","","1.081","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103458","10.1318","0.0006","10.1318","0.0006","10.1318","0.0006","90","","90","","90","","1040.06","0.11","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- K2 O12 P3 Ti Y -","- K2 O12 P3 Ti Y -","- K8 O48 P12 Ti4 Y4 -","4","0.333333","OS0095","Norberg, Stefan T.","New phosphate langbeinites, K~2~<i>M</i>Ti(PO~4~)~3~ (<i>M</i> = Er, Yb or Y), and an alternative description of the langbeinite framework","Acta Crystallographica Section B","2002","58","5","743","749","10.1107/S0108768102013782","","","0.71073","MoKα","","0.108","0.047","","0.18","0.123","0.18","","","1.188","","","1.188","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103459","9.8001","0.0002","9.8001","0.0002","9.8001","0.0002","90","","90","","90","","941.22","0.03","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Cr K2 O12 P3 Ti -","- Cr K2 O12 P3 Ti -","- Cr4 K8 O48 P12 Ti4 -","4","0.333333","OS0095","Norberg, Stefan T.","New phosphate langbeinites, K~2~<i>M</i>Ti(PO~4~)~3~ (<i>M</i> = Er, Yb or Y), and an alternative description of the langbeinite framework","Acta Crystallographica Section B","2002","58","5","743","749","10.1107/S0108768102013782","","","0.71073","MoKα","","0.018","0.016","","0.052","0.05","0.052","","","1.047","","","1.047","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103460","6.134","0.0002","7.9324","0.0003","7.7541","0.0003","90","","94.966","0.001","90","","375.88","0.02","118","2","118","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ammonium persulphate-d8","","- H8 N2 O8 S2 -","- H8 N2 O8 S2 -","- H16 N4 O16 S4 -","2","0.5","SN0024","Schmidt, Thorsten; Schmitt, Heike; Zimmermann, Herbert; Haeberlen, Ulrich; Lalowicz, Zdzisław T.; Olejniczak, Zbigniew; Oeser, Thomas","Location of the H atoms in ammonium persulphate by deuteron NMR. Verification by X-ray diffraction","Acta Crystallographica Section B","2002","58","5","760","769","10.1107/S0108768102011199","","","0.71073","MoKα","","0.028","0.028","","","0.068","0.069","","","","","","1.067","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103461","17.8141","0.0018","13.89","0.003","17.806","0.0017","90","","89.91","0.03","90","","4405.9","1.1","173","2","173","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","t-butycalix[4]arene:toluene","","","- C51 H64 O4 -","- C51.5 H64 O4 -","- C206 H256 O16 -","4","1","AN0621","Enright, Gary D.; Brouwer, Eric B.; Udachin, Konstantin A.; Ratcliffe, Christopher I.; Ripmeester, John A.","A reexamination of the low-temperature crystal structure of the <i>p-tert</i>-butylcalix[4]arene‒toluene inclusion compound. Differences in spatial averaging with Cu and Mo<i>K</i>α radiation","Acta Crystallographica Section B","2002","58","6","1032","1035","10.1107/S0108768102018803","","","0.71073","MoKα","","0.0696","0.0513","","","0.1218","0.1366","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103462","12.421","0.005","12.056","0.004","13.396","0.003","90","","91.51","0.03","90","","2005.3","1.1","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Paracetamol hemi-dioxane","","","- C10 H13 N O3 -","- C10 H13 N O3 -","- C80 H104 N8 O24 -","8","2","AN0622","Oswald, Iain D. H.; Allan, David R.; McGregor, Pamela A.; Motherwell, W. D. Samuel; Parsons, Simon; Pulham, Colin R.","The formation of paracetamol (acetaminophen) adducts with hydrogen-bond acceptors","Acta Crystallographica Section B","2002","58","6","1057","1066","10.1107/S0108768102015987","","","1.54184","CuKα","","0.0942","0.0702","","","0.2024","0.2243","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103463","10.697","0.0009","11.024","0.0009","9.4896","0.0008","90","","100.684","0.002","90","","1099.65","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Paracetamol hemi-dimethylpiperazine","","","- C22 H32 N4 O4 -","- C22 H32 N4 O4 -","- C44 H64 N8 O8 -","2","0.5","AN0622","Oswald, Iain D. H.; Allan, David R.; McGregor, Pamela A.; Motherwell, W. D. Samuel; Parsons, Simon; Pulham, Colin R.","The formation of paracetamol (acetaminophen) adducts with hydrogen-bond acceptors","Acta Crystallographica Section B","2002","58","6","1057","1066","10.1107/S0108768102015987","","","0.71073","MoKα","","0.0563","0.0525","","","0.1311","0.1339","","","","","","1.059","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2103464","10.5749","0.0008","11.0221","0.0008","9.3894","0.0007","90","","101.145","0.002","90","","1073.77","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol hemi(N-Methylmorpholine)","","- C21 H29 N3 O5 -","- C21 H29 N3 O5 -","- C42 H58 N6 O10 -","2","0.5","AN0622","Oswald, Iain D. H.; Allan, David R.; McGregor, Pamela A.; Motherwell, W. D. Samuel; Parsons, Simon; Pulham, Colin R.","The formation of paracetamol (acetaminophen) adducts with hydrogen-bond acceptors","Acta Crystallographica Section B","2002","58","6","1057","1066","10.1107/S0108768102015987","","","0.71073","MoKα","","0.0515","0.0408","","","0.104","0.1082","","","","","","0.973","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2103465","15.893","0.005","5.1664","0.0017","12.993","0.004","90","","113.633","0.005","90","","977.4","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Paracetamol hemi-piperazine","","","- C20 H28 N4 O4 -","- C20 H28 N4 O4 -","- C40 H56 N8 O8 -","2","0.5","AN0622","Oswald, Iain D. H.; Allan, David R.; McGregor, Pamela A.; Motherwell, W. D. Samuel; Parsons, Simon; Pulham, Colin R.","The formation of paracetamol (acetaminophen) adducts with hydrogen-bond acceptors","Acta Crystallographica Section B","2002","58","6","1057","1066","10.1107/S0108768102015987","","","0.71073","MoKα","","0.1031","0.0779","","","0.1551","0.1652","","","","","","1.179","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2103466","11.2906","0.001","24.103","0.002","11.5526","0.001","90","","96.1484","0.0016","90","","3125.8","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Paracetamol-bipyridine","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C144 H136 N24 O16 -","8","2","AN0622","Oswald, Iain D. H.; Allan, David R.; McGregor, Pamela A.; Motherwell, W. D. Samuel; Parsons, Simon; Pulham, Colin R.","The formation of paracetamol (acetaminophen) adducts with hydrogen-bond acceptors","Acta Crystallographica Section B","2002","58","6","1057","1066","10.1107/S0108768102015987","","","0.71073","MoKα","","0.063","0.0471","","","0.1181","0.128","","","","","","1.038","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2103467","7.2791","0.0009","14.6277","0.0018","18.303","0.002","90","","90","","90","","1948.8","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N3 O5 -","- C20 H27 N3 O5 -","- C80 H108 N12 O20 -","4","1","AN0622","Oswald, Iain D. H.; Allan, David R.; McGregor, Pamela A.; Motherwell, W. D. Samuel; Parsons, Simon; Pulham, Colin R.","The formation of paracetamol (acetaminophen) adducts with hydrogen-bond acceptors","Acta Crystallographica Section B","2002","58","6","1057","1066","10.1107/S0108768102015987","","","0.71073","MoKα","","0.0517","0.0462","","","0.0997","0.1028","","","","","","1.066","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2103468","11.63","0.001","11.63","0.001","11.63","0.001","90","","90","","90","","1573","0.2","293","2","273","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Al2 Mn3 O12 Si3 -","- Al2 Mn3 O12 Si3 -","- Al16 Mn24 O96 Si24 -","8","0.0833333","AV0058","Gramaccioli, Carlo Maria; Pilati, Tullio; Demartin, Francesco","Atomic displacement parameters for spessartine Mn~3~Al~2~Si~3~O~12~ and their lattice-dynamical interpretation","Acta Crystallographica Section B","2002","58","6","965","969","10.1107/S0108768102017925","","","0.71073","MoKα","","0.036","0.013","","","0.016","","","","0.652","0.84","0.84","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2103469","8.7863","0.0005","8.7863","0.0005","24.667","0.003","90","","90","","90","","1904.3","0.3","200","1","200","1","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","mercuric iodide","","","- Hg I2 -","- Hg I2 -","- Hg16 I32 -","16","0.5","BK0119","Hostettler, Marc; Birkedal, Henrik; Schwarzenbach, Dieter","The structure of orange HgI~2~. I. Polytypic layer structure","Acta Crystallographica Section B","2002","58","6","903","913","10.1107/S010876810201618X","","","0.71073","MoKα","","0.065","0.065","","","0.131","0.131","","","","","","1.066","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103470","8.7863","0.0005","8.7863","0.0005","12.334","0.003","90","","90","","90","","952.2","0.2","200","1","200","1","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","mercuric iodide","","","- Hg I2 -","- Hg I2 -","- Hg8 I16 -","8","0.5","BK0119","Hostettler, Marc; Birkedal, Henrik; Schwarzenbach, Dieter","The structure of orange HgI~2~. I. Polytypic layer structure","Acta Crystallographica Section B","2002","58","6","903","913","10.1107/S010876810201618X","","","0.71073","MoKα","","0.066","0.066","","","0.133","0.133","","","","","","1.066","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103471","12.393","0.0018","12.393","0.0018","24.889","0.005","90","","90","","90","","3822.6","1.1","293","1","293","1","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","mercuric iodide","","","- Hg I2 -","- Hg I2 -","- Hg32 I64 -","32","1","BK0120","Hostettler, Marc; Schwarzenbach, Dieter","The structure of orange HgI~2~. II. Diamond-type structure and twinning","Acta Crystallographica Section B","2002","58","6","914","920","10.1107/S0108768102016191","","","0.71073","MoKα","","0.0643","0.045","","","0.0955","0.0977","","","","","","1.783","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103472","11.61","0.004","5.4416","0.0011","12.217","0.005","90","","101.47","0.03","90","","756.4","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H6 O -","- C6 H6 O -","- C36 H36 O6 -","6","3","BM0050","Allan, David R.; Clark, Stewart J.; Dawson, Alice; McGregor, Pamela A.; Parsons, Simon","Pressure-induced polymorphism in phenol","Acta Crystallographica Section B","2002","58","6","1018","1024","10.1107/S0108768102018797","","","0.71073","MoKα","","0.1146","0.0863","","","0.257","0.2777","","","","","","0.975","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2103473","17.618","0.004","8.1109","0.0016","19.284","0.004","90","","114.44","0.03","90","","2508.7","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cl2 N3 O5 P3 -","- C20 H26 Cl2 N3 O5 P3 -","- C80 H104 Cl8 N12 O20 P12 -","4","1","BM0058","Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.","Structural investigations of phosphorus‒nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-<i>cis</i>-oxytetra(ethyleneoxy)-4,6-<i>R</i>~2~-cyclotriphosphazatrienes (<i>R</i> = Cl, OCH~2~CF~3~, OPh, OMe, NHPh, NHBu^<i>t^</i>) and substituent basicity constants","Acta Crystallographica Section B","2002","58","6","1067","1073","10.1107/S0108768102018608","","","0.71073","MoKα","","0.0614","0.039","","","0.0905","0.1023","","","","","","1.013","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103474","15.3839","0.0004","8.0685","0.0002","24.1935","0.0009","90","","105.877","0.001","90","","2888.46","0.15","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 F6 N3 O7 P3 -","- C24 H30 F6 N3 O7 P3 -","- C96 H120 F24 N12 O28 P12 -","4","1","BM0058","Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.","Structural investigations of phosphorus‒nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-<i>cis</i>-oxytetra(ethyleneoxy)-4,6-<i>R</i>~2~-cyclotriphosphazatrienes (<i>R</i> = Cl, OCH~2~CF~3~, OPh, OMe, NHPh, NHBu^<i>t^</i>) and substituent basicity constants","Acta Crystallographica Section B","2002","58","6","1067","1073","10.1107/S0108768102018608","","","0.71073","MoKα","","0.1175","0.0496","","","0.0922","0.1144","","","","","","0.977","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103475","10.166","0.002","12.105","0.002","13.313","0.003","88.86","0.03","86.54","0.03","78.14","0.03","1600.3","0.6","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H36 N3 O7 P3 -","- C32 H36 N3 O7 P3 -","- C64 H72 N6 O14 P6 -","2","2","BM0058","Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.","Structural investigations of phosphorus‒nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-<i>cis</i>-oxytetra(ethyleneoxy)-4,6-<i>R</i>~2~-cyclotriphosphazatrienes (<i>R</i> = Cl, OCH~2~CF~3~, OPh, OMe, NHPh, NHBu^<i>t^</i>) and substituent basicity constants","Acta Crystallographica Section B","2002","58","6","1067","1073","10.1107/S0108768102018608","","","0.71073","MoKα","","0.0894","0.0537","","","0.1154","0.1315","","","","","","0.941","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103476","11.8293","0.0002","10.3312","0.0002","21.6318","0.0005","90","","100.203","0.001","90","","2601.84","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 N3 O7 P3 -","- C22 H32 N3 O7 P3 -","- C88 H128 N12 O28 P12 -","4","1","BM0058","Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.","Structural investigations of phosphorus‒nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-<i>cis</i>-oxytetra(ethyleneoxy)-4,6-<i>R</i>~2~-cyclotriphosphazatrienes (<i>R</i> = Cl, OCH~2~CF~3~, OPh, OMe, NHPh, NHBu^<i>t^</i>) and substituent basicity constants","Acta Crystallographica Section B","2002","58","6","1067","1073","10.1107/S0108768102018608","","","0.71073","MoKα","","0.0793","0.0518","","","0.1322","0.1525","","","","","","1","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103477","10.519","0.002","12.694","0.003","14.34","0.003","114.81","0.03","93.81","0.03","103.59","0.03","1659.6","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 N5 O6 P3 -","- C32 H40 N5 O6 P3 -","- C64 H80 N10 O12 P6 -","2","1","BM0058","Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.","Structural investigations of phosphorus‒nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-<i>cis</i>-oxytetra(ethyleneoxy)-4,6-<i>R</i>~2~-cyclotriphosphazatrienes (<i>R</i> = Cl, OCH~2~CF~3~, OPh, OMe, NHPh, NHBu^<i>t^</i>) and substituent basicity constants","Acta Crystallographica Section B","2002","58","6","1067","1073","10.1107/S0108768102018608","","","0.71073","MoKα","","0.0514","0.0392","","","0.1019","0.1203","","","","","","0.647","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103478","9.5003","0.0002","10.421","0.0003","17.1257","0.0003","92.598","0.002","90.645","0.002","108.799","0.001","1602.79","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H46 N5 O5 P3 -","- C28 H46 N5 O5 P3 -","- C56 H92 N10 O10 P6 -","2","1","BM0058","Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.","Structural investigations of phosphorus‒nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-<i>cis</i>-oxytetra(ethyleneoxy)-4,6-<i>R</i>~2~-cyclotriphosphazatrienes (<i>R</i> = Cl, OCH~2~CF~3~, OPh, OMe, NHPh, NHBu^<i>t^</i>) and substituent basicity constants","Acta Crystallographica Section B","2002","58","6","1067","1073","10.1107/S0108768102018608","","","0.71073","MoKα","","0.0608","0.0452","","","0.1145","0.1248","","","","","","1.007","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103479","3.9544","0.0007","26.767","0.006","5.6961","0.0008","90","","90","","90","","602.92","0.19","","","","","","","","","","","","3","","","","","","","- Nb2 O7 Sr2 -","","","4","","CK0015","Daniels, Peter; Tamazyan, Rafael; Kuntscher, Christine A.; Dressel, Martin; Lichtenberg, Frank; van Smaalen, Sander","The incommensurate modulation of the structure of Sr~2~Nb~2~O~7~","Acta Crystallographica Section B","2002","58","6","970","976","10.1107/S010876810201741X","","","0.5","X-ray","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103480","19.559","0.002","5.0296","0.0006","28.407","0.004","90","","90.553","0.002","90","","2794.4","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DL-arginine_semimalonate","","","- C9 H20 N4 O7 -","- C9 H20 N4 O7 -","- C72 H160 N32 O56 -","8","1","DE0019","Saraswathi, N. T.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XL. Conformational variability, recurring and new features of aggregation, and effect of chirality in the malonic acid complexes of <small>DL</small>- and <small>L</small>-arginine","Acta Crystallographica Section B","2002","58","6","1051","1056","10.1107/S0108768102018827","","","0.71073","MoKα","","0.1087","0.0685","","","0.1279","0.1408","","","","","","1.115","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103481","5.353","0.006","6.931","0.008","9.922","0.011","69.53","0.016","89.035","0.017","71.128","0.016","324.4","0.6","293","2","293","2","","","","","","","","4","P 1","P 1","1","L-arginine-semimalonate","","","- C9 H18 N4 O6 -","- C9 H18 N4 O6 -","- C9 H18 N4 O6 -","1","1","DE0019","Saraswathi, N. T.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XL. Conformational variability, recurring and new features of aggregation, and effect of chirality in the malonic acid complexes of <small>DL</small>- and <small>L</small>-arginine","Acta Crystallographica Section B","2002","58","6","1051","1056","10.1107/S0108768102018827","","","0.71073","MoKα","","0.0415","0.0384","","","0.1047","0.1068","","","","","","0.978","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103482","15.5525","0.0001","7.5711","0.0001","18.1578","0.0001","90","","98.42","","90","","2115.03","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-cyanopropyl)(3-methylpyridine) cobaloxime","","- C18 H26.712 Co N6 O4 -","- C18 H26.712 Co N6 O4 -","- C72 H106.848 Co4 N24 O16 -","4","1","DE0020","Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji","Modified photoreactivity due to mixed crystal~formation. II. Enhanced reactivity upon conformational mimicry and cavity enlargement","Acta Crystallographica Section B","2002","58","6","986","997","10.1107/S0108768102019663","","","0.71069","MoKα","","0.0462","0.0374","","","0.0948","0.0997","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103483","11.5388","0.0002","9.3751","0.0002","19.2929","0.0004","90","","92.204","0.001","90","","2085.51","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(2-cyanoethyl)(3-methylpyridine)cobaloxime] [(2-cyanopropyl)(3-methylpyridine)cobaloxime]","","- C17.48 H21 Co N6 O4 -","- C17.48 H20.71 Co N6 O4 -","- C69.92 H82.84 Co4 N24 O16 -","4","1","DE0020","Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji","Modified photoreactivity due to mixed crystal~formation. II. Enhanced reactivity upon conformational mimicry and cavity enlargement","Acta Crystallographica Section B","2002","58","6","986","997","10.1107/S0108768102019663","","","0.71069","MoKα","","0.0891","0.0613","","","0.1495","0.1663","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103484","11.5432","0.0009","9.3978","0.0004","19.5033","0.0016","90","","90.992","0.004","90","","2115.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(2-cyanoethyl)(3-methylpyridine)cobaloxime] [(2-cyanopropyl)(3-methylpyridine)cobaloxime]","","- C17.5 H19 Co N6 O4 -","- C17.274 H19 Co N5.984 O3.98 -","- C69.096 H76 Co4 N23.936 O15.92 -","4","1","DE0020","Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji","Modified photoreactivity due to mixed crystal~formation. II. Enhanced reactivity upon conformational mimicry and cavity enlargement","Acta Crystallographica Section B","2002","58","6","986","997","10.1107/S0108768102019663","","","0.71069","MoKα","","0.2025","0.1101","","","0.2773","0.317","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2103485","11.7299","0.0004","9.2358","0.0003","19.8561","0.0006","90","","91.082","0.001","90","","2150.73","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(2-cyanoethyl)(3-ethylpyridine)cobaloxime] [(2-cyanopropyl)(3-methylpyridine)cobaloxime]","","- C18 H21 Co N6 O4 -","- C18 H21 Co N6 O4 -","- C72 H84 Co4 N24 O16 -","4","1","DE0020","Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji","Modified photoreactivity due to mixed crystal~formation. II. Enhanced reactivity upon conformational mimicry and cavity enlargement","Acta Crystallographica Section B","2002","58","6","986","997","10.1107/S0108768102019663","","","0.71069","MoKα","","0.1187","0.0809","","","0.1972","0.2169","","","","","","1.123","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2103486","11.509","0.0004","9.441","0.0003","20.033","0.0007","90","","95.875","0.002","90","","2165.28","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(2-cyanoethyl)(3-ethylpyridine)cobaloxime] [(2-cyanopropyl)(3-methylpyridine)cobaloxime]","","- C18 H18 Co N6 O4 -","- C18.053 H18 Co N6 O4 -","- C72.212 H72 Co4 N24 O16 -","4","1","DE0020","Vithana, Champika; Uekusa, Hidehiro; Sekine, Akiko; Ohashi, Yuji","Modified photoreactivity due to mixed crystal~formation. II. Enhanced reactivity upon conformational mimicry and cavity enlargement","Acta Crystallographica Section B","2002","58","6","986","997","10.1107/S0108768102019663","","","0.71069","MoKα","","0.1684","0.0763","","","0.1678","0.2095","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103487","4.0515","0.0002","10.1749","0.0007","17.6519","0.0009","90","","90","","90","","727.67","0.07","90","0.2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-thiocoumarin","2H-chromene-2-thione","","- C9 H6 O S -","- C9 H6 O S -","- C36 H24 O4 S4 -","4","1","LC0053","Munshi, Parthapratim; Guru Row, T. N.","Electron density study of 2<i>H</i>-chromene-2-thione","Acta Crystallographica Section B","2002","58","6","1011","1017","10.1107/S0108768102018712","","","0.71073","MoKα","","","0.0217","","","","0.0223","","","","","","1.8112","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103488","15.4797","0.0009","25.5892","0.0015","9.2973","0.0005","90","","98.976","0.007","90","","3637.7","0.4","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","β-cyclodextrin mefenamic acid inclusion complex","","- C55.5 H13.5 N0.9 O36.8 -","- C55.5 H13.5 N0.9 O36.8 -","- C111 H27 N1.8 O73.6 -","2","1","NA0142","Pop, Mihaela M.; Goubitz, Kees; Borodi, Gheorghe; Bogdan, Mircea; De Ridder, Dirk J. A.; Peschar, Rene; Schenk, Henk","Crystal structure of the inclusion complex of β-cyclodextrin with mefenamic acid from high-resolution synchrotron powder-diffraction data in combination with molecular-mechanics calculations","Acta Crystallographica Section B","2002","58","6","1036","1043","10.1107/S010876810201947X","","","0.800807","synchrotron","","","","","","","","","","6.08","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2103489","15.4797","0.0005","25.5892","0.001","9.2973","0.0004","90","","98.976","0.003","90","","3637.7","0.2","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","β-cyclodextrin/mefenamic acid inclusion complex","","- C55.5 H13.5 N0.9 O36.8 -","- C55.5 H13.5 N0.9 O36.8 -","- C111 H27 N1.8 O73.6 -","2","1","NA0142","Pop, Mihaela M.; Goubitz, Kees; Borodi, Gheorghe; Bogdan, Mircea; De Ridder, Dirk J. A.; Peschar, Rene; Schenk, Henk","Crystal structure of the inclusion complex of β-cyclodextrin with mefenamic acid from high-resolution synchrotron powder-diffraction data in combination with molecular-mechanics calculations","Acta Crystallographica Section B","2002","58","6","1036","1043","10.1107/S010876810201947X","","","0.800807","synchrotron","","","","","","","","","","7.08","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2103490","14.024","0.002","13.182","0.002","3.677","0.001","90","","90","","90","","679.7","0.2","100","1","100","1","","","","","","","","4","P n a 21","P 2c -2n","33","meta-dinitrobenzene","1,3-dinitrobenzene","","- C6 H4 N2 O4 -","- C6 H4 N2 O4 -","- C24 H16 N8 O16 -","4","1","NS0009","Wójcik, Grażyna; Mossakowska, Izabela; Holband, Jolanta; Bartkowiak, Wojciech","Atomic thermal motions studied by variable-temperature X-ray diffraction and related to non-linear optical properties of crystalline <i>meta</i>-di-nitrobenzene","Acta Crystallographica Section B","2002","58","6","998","1004","10.1107/S0108768102015033","","","0.71073","MoKα","","0.0429","0.0412","","","0.121","0.1232","","","","","","1.163","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103491","14.04","0.004","13.208","0.004","3.694","0.001","90","","90","","90","","685","0.3","130","1","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","meta-dinitrobenzene?","1,3-dinitrobenzene","","- C6 H4 N2 O4 -","- C6 H4 N2 O4 -","- C24 H16 N8 O16 -","4","1","NS0009","Wójcik, Grażyna; Mossakowska, Izabela; Holband, Jolanta; Bartkowiak, Wojciech","Atomic thermal motions studied by variable-temperature X-ray diffraction and related to non-linear optical properties of crystalline <i>meta</i>-di-nitrobenzene","Acta Crystallographica Section B","2002","58","6","998","1004","10.1107/S0108768102015033","","","0.71073","MoKα","","0.062","0.0561","","","0.1398","0.1423","","","","","","1.183","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103492","14.052","0.004","13.224","0.004","3.714","0.001","90","","90","","90","","690.1","0.3","160","1","160","1","","","","","","","","4","P n a 21","P 2c -2n","33","meta-dinitrobenzene","1,3-dinitrobenzene","","- C6 H4 N2 O4 -","- C6 H4 N2 O4 -","- C24 H16 N8 O16 -","4","1","NS0009","Wójcik, Grażyna; Mossakowska, Izabela; Holband, Jolanta; Bartkowiak, Wojciech","Atomic thermal motions studied by variable-temperature X-ray diffraction and related to non-linear optical properties of crystalline <i>meta</i>-di-nitrobenzene","Acta Crystallographica Section B","2002","58","6","998","1004","10.1107/S0108768102015033","","","0.71073","MoKα","","0.0619","0.054","","","0.1307","0.1554","","","","","","1.167","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103493","14.069","0.002","13.245","0.002","3.738","0.001","90","","90","","90","","696.6","0.2","200","1","200","1","","","","","","","","4","P n a 21","P 2c -2n","33","meta-dinitrobenzene","1,3-dinitrobenzene","","- C6 H4 N2 O4 -","- C6 H4 N2 O4 -","- C24 H16 N8 O16 -","4","1","NS0009","Wójcik, Grażyna; Mossakowska, Izabela; Holband, Jolanta; Bartkowiak, Wojciech","Atomic thermal motions studied by variable-temperature X-ray diffraction and related to non-linear optical properties of crystalline <i>meta</i>-di-nitrobenzene","Acta Crystallographica Section B","2002","58","6","998","1004","10.1107/S0108768102015033","","","0.71073","MoKα","","0.0593","0.054","","","0.1398","0.1456","","","","","","1.045","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103494","14.084","0.004","13.292","0.004","3.802","0.001","90","","90","","90","","711.8","0.3","300","1","300","1","","","","","","","","4","P n a 21","P 2c -2n","33","meta-dinitrobenzene","1,3-dinitrobenzene","","- C6 H4 N2 O4 -","- C6 H4 N2 O4 -","- C24 H16 N8 O16 -","4","1","NS0009","Wójcik, Grażyna; Mossakowska, Izabela; Holband, Jolanta; Bartkowiak, Wojciech","Atomic thermal motions studied by variable-temperature X-ray diffraction and related to non-linear optical properties of crystalline <i>meta</i>-di-nitrobenzene","Acta Crystallographica Section B","2002","58","6","998","1004","10.1107/S0108768102015033","","","0.71073","MoKα","","0.098","0.0797","","","0.222","0.2379","","","","","","1.203","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103495","6.8465","0.001","6.9702","0.0007","24.248","0.004","90","","90","","90","","1157.2","0.3","122","0.5","122","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R-PEA)(S-LA)","R-1-Phenylethylammonium S-Lactate","","- C11 H17 N O3 -","- C11 H17 N O3 -","- C44 H68 N4 O12 -","4","1","OS0096","Langkilde, Annette; Oddershede, Jette; Larsen, Sine","Diastereomeric salts of lactic acid and 1-phenylethylamine, their structures and relative stabilities","Acta Crystallographica Section B","2002","58","6","1044","1050","10.1107/S0108768102013824","","","1.5418","CuKα","","0.0285","0.0281","","","0.0758","0.0765","","","","","","1.029","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103496","8.0795","0.0018","5.8794","0.0009","12.852","0.002","90","","94.53","0.02","90","","608.6","0.19","122","0.5","122","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","(S-PEA)(S-LA)H2O","S-1-Phenylethylammonium S-Lactate Monohydrate","","- C11 H19 N O4 -","- C11 H19 N O4 -","- C22 H38 N2 O8 -","2","1","OS0096","Langkilde, Annette; Oddershede, Jette; Larsen, Sine","Diastereomeric salts of lactic acid and 1-phenylethylamine, their structures and relative stabilities","Acta Crystallographica Section B","2002","58","6","1044","1050","10.1107/S0108768102013824","","","1.5418","CuKα","","0.0274","0.0274","","","0.0732","0.0732","","","","","","0.97","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103497","6.187","0.001","5.282","0.003","7.887","0.004","90","","90","","90","","257.7","0.2","206","2","206","2","","","","","","","","3","C m c 21","C 2c -2","36","","acetonitrile","","- C2 H3 N -","- C2 H3 N -","- C8 H12 N4 -","4","0.5","OS0098","Enjalbert, Renée; Galy, Jean","CH~3~CN: X-ray structural investigation of a unique single crystal. β →α phase transition and crystal structure","Acta Crystallographica Section B","2002","58","6","1005","1010","10.1107/S0108768102017603","","","0.71073","MoKα","","0.0891","0.058","","0.1899","","0.1492","","","1.2","","","1.155","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103498","4.102","0.003","8.244","0.007","7.97","0.007","90","","100.1","0.1","90","","265.3","0.4","201","2","201","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","acetonitrile","","- C2 H3 N -","- C2 H3 N -","- C8 H12 N4 -","4","1","OS0098","Enjalbert, Renée; Galy, Jean","CH~3~CN: X-ray structural investigation of a unique single crystal. β →α phase transition and crystal structure","Acta Crystallographica Section B","2002","58","6","1005","1010","10.1107/S0108768102017603","","","0.71073","MoKα","","0.1051","0.0472","","0.1504","","0.1106","","","1.137","","","1.107","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103499","10.363","0.002","12.83","0.003","19.666","0.004","90","","92.43","0.03","90","","2612.4","1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Br10 P2 Se4 Te -","- C40 H40 Br10 P2 Se4 Te -","- C80 H80 Br20 P4 Se8 Te2 -","2","0.5","SN0022","Janickis, Vitalijus; Nečas, Marek; Novosad, Josef; Dušek, Michal; Petříček, Václav","Commensurate and incommensurate structures of~the hexabromotellurate(IV) bis{dibromodiselenate(I)} ion ‒ [(C~2~H~5~)~<i>n~</i>(C~6~H~5~)~4{-~<i>n</i>}P]~2~[TeBr~6~(Se~2~Br~2~)~2~], <i>n</i>=0,1","Acta Crystallographica Section B","2002","58","6","977","985","10.1107/S010876810201772X","","","0.71073","MoKα","","0.0357","0.0357","","","0.0388","0.0388","","","","","","2.22","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2103500","11.261","0.002","24.543","0.004","10.814","0.002","90","","102.84","0.03","90","","2914","1","120","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br5 P Se2 Te0.5 -","- C12 H10 Br5 P Se2 Te0.5 -","- C48 H40 Br20 P4 Se8 Te2 -","4","1","SN0022","Janickis, Vitalijus; Nečas, Marek; Novosad, Josef; Dušek, Michal; Petříček, Václav","Commensurate and incommensurate structures of~the hexabromotellurate(IV) bis{dibromodiselenate(I)} ion ‒ [(C~2~H~5~)~<i>n~</i>(C~6~H~5~)~4{-~<i>n</i>}P]~2~[TeBr~6~(Se~2~Br~2~)~2~], <i>n</i>=0,1","Acta Crystallographica Section B","2002","58","6","977","985","10.1107/S010876810201772X","","","0.71069","MoKα","","0.0501","0.0501","","","0.0487","0.0487","","","","","","1.84","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2103501","8.213","","8.213","","5.115","","90","","90","","120","","298.8","","293","2","293","2","","","700000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","SN0021","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.71073","MoKα","","0.042","0.042","","","0.0971","0.0971","","","","","","0.946","","","","has coordinates","176343","2020-10-21","18:00:00",""
"2103502","8.202","","8.202","","5.123","","90","","90","","120","","298.5","","293","2","293","2","","","800000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.71073","MoKα","","0.0387","0.0327","","","0.0904","0.1102","","","","","","1.052","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103503","5.024","","7.98","","13.823","","90","","90","","90","","554.2","","293","2","293","2","","","11570000","","","","","4","A 1 2 1","A 2y","5","","","","- Ga11 La6 O28 Ta -","- Ga11 La6 O28 Ta -","- Ga11 La6 O28 Ta -","1","0.25","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0486","0.0486","","","0.1357","0.1357","","","","","","1.23","","","","has coordinates","212008","2020-10-21","18:00:00",""
"2103504","7.981","","7.981","","5.024","","90","","90","","120","","277.1","","293","2","293","2","","","11570000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0494","0.0492","","","0.1499","0.15","","","","","","1.3","","2103503","","has coordinates","215354","2020-10-21","18:00:00",""
"2103505","7.981","","7.981","","5.024","","90","","90","","120","","277.1","","293","2","293","2","","","11570000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0494","0.0491","","","0.1448","0.1449","","","","","","1.249","","2103503","","has coordinates","215354","2020-10-21","18:00:00",""
"2103506","7.991","","7.991","","5.037","","90","","90","","120","","278.5","","293","2","293","2","","","11700000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0383","0.0383","","","0.1157","0.1157","","","","","","0.991","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103507","5.021","","7.972","","13.808","","90","","90","","90","","552.7","","293","2","293","2","","","12800000","","","","","4","A 1 2 1","A 2y","5","","","","- Ga11 La6 O28 Ta -","- Ga11 La6 O28 Ta -","- Ga11 La6 O28 Ta -","1","0.25","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0475","0.0475","","","0.1265","0.1266","","","","","","1.094","","2103509","","has coordinates","215354","2020-10-21","18:00:00",""
"2103508","7.972","","7.972","","5.021","","90","","90","","120","","276.3","","293","2","293","2","","","12800000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.046","0.046","","","0.1318","0.1318","","","","","","1.098","","2103509","","has coordinates","215354","2020-10-21","18:00:00",""
"2103509","7.972","","7.972","","5.021","","90","","90","","120","","276.3","","293","2","293","2","","","12800000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.045","0.045","","","0.1298","0.1298","","","","","","1.074","","","","has coordinates","212008","2020-10-21","18:00:00",""
"2103510","7.953","","7.953","","5.023","","90","","90","","120","","275.1","","293","2","293","2","","","13100000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0453","0.0446","","","0.1303","0.1308","","","","","","1.077","","2103511","","has coordinates","215354","2020-10-21","18:00:00",""
"2103511","7.953","","7.953","","5.023","","90","","90","","120","","275.1","","293","2","293","2","","","13100000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0408","0.0401","","","0.1179","0.1185","","","","","","0.974","","","","has coordinates","212008","2020-10-21","18:00:00",""
"2103512","5.013","","7.944","","13.759","","90","","90","","90","","547.9","","293","2","293","2","","","14400000","","","","","4","A 1 2 1","A 2y","5","","","","- Ga11 La6 O28 Ta -","- Ga11 La6 O28 Ta -","- Ga11 La6 O28 Ta -","1","0.25","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.046","0.046","","","0.1318","0.1318","","","","","","1.144","","","","has coordinates","212008","2020-10-21","18:00:00",""
"2103513","7.944","","7.944","","5.012","","90","","90","","120","","273.9","","293","2","293","2","","","14400000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0492","0.0492","","","0.1526","0.1526","","","","","","1.289","","2103512","","has coordinates","215354","2020-10-21","18:00:00",""
"2103514","7.944","","7.944","","5.012","","90","","90","","120","","273.9","","293","2","293","2","","","14400000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0508","0.0508","","","0.1611","0.1611","","","","","","1.348","","2103512","","has coordinates","215354","2020-10-21","18:00:00",""
"2103515","7.864","","7.864","","5.007","","90","","90","","120","","268.2","","293","2","293","2","","","15600000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5492","","","0.0699","0.0695","","","0.1827","0.1836","","","","","","1.432","","","","has coordinates","212008","2020-10-21","18:00:00",""
"2103516","7.864","","7.864","","5.007","","90","","90","","120","","268.2","","293","2","293","2","","","15600000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5492","","","0.0701","0.0696","","","0.1815","0.1823","","","","","","1.411","","2103515","","has coordinates","215354","2020-10-21","18:00:00",""
"2103517","4.999","","7.872","","13.635","","90","","90","","90","","536.6","","293","2","293","2","","","16700000","","","","","4","A 1 2 1","A 2y","5","","","","- Ga11 La6 O28 Ta -","- Ga11 La6 O28 Ta -","- Ga11 La6 O28 Ta -","1","0.25","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0733","0.0712","","","0.2072","0.2123","","","","","","1.502","","","","has coordinates","212008","2020-10-21","18:00:00",""
"2103518","7.872","","7.872","","4.999","","90","","90","","120","","268.3","","293","2","293","2","","","16700000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0888","0.0873","","","0.2543","0.2573","","","","","","1.695","","2103517","","has coordinates","215354","2020-10-21","18:00:00",""
"2103519","7.872","","7.872","","4.999","","90","","90","","120","","268.3","","293","2","293","2","","","16700000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0843","0.0828","","","0.2456","0.2486","","","","","","1.64","","2103517","","has coordinates","215354","2020-10-21","18:00:00",""
"2103520","4.994","","7.783","","13.481","","90","","90","","90","","524","","293","2","293","2","","","18500000","","","","","4","A 1 2 1","A 2y","5","","","","- Ga11 La6 Nb O28 -","- Ga11 La6 Nb O28 -","- Ga11 La6 Nb O28 -","1","0.25","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5492","","","0.0784","0.0746","","","0.1917","0.1962","","","","","","1.565","","","","has coordinates","212008","2020-10-21","18:00:00",""
"2103521","7.783","","7.783","","4.994","","90","","90","","120","","262","","293","2","293","2","","","18500000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5492","","","0.0938","0.0901","","","0.2385","0.2405","","","","","","1.775","","2103520","","has coordinates","215354","2020-10-21","18:00:00",""
"2103522","7.783","","7.783","","4.994","","90","","90","","120","","262","","293","2","293","2","","","18500000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5492","","","0.0874","0.0839","","","0.2301","0.232","","","","","","1.717","","2103520","","has coordinates","215354","2020-10-21","18:00:00",""
"2103523","8.188","","8.188","","5.113","","90","","90","","120","","296.9","","293","2","293","2","","","1800000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.6503","","","0.0334","0.0324","","","0.0703","0.0706","","","","","","0.925","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103524","4.985","","7.695","","13.328","","90","","90","","90","","511.3","","293","2","293","2","","","21850000","","","","","4","A 1 2 1","A 2y","5","","","","- Ga11 La6 Nb O28 -","- Ga11 La6 Nb O28 -","- Ga11 La6 Nb O28 -","1","0.25","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5492","","","0.1264","0.1227","","","0.2992","0.3004","","","","","","2.14","","","","has coordinates","212008","2020-10-21","18:00:00",""
"2103525","7.692","","7.692","","4.985","","90","","90","","120","","255.4","","293","2","293","2","","","21850000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5492","","","0.1488","0.1452","","","0.3549","0.356","","","","","","2.346","","2103524","","has coordinates","215354","2020-10-21","18:00:00",""
"2103526","7.695","","7.695","","4.985","","90","","90","","120","","255.6","","293","2","293","2","","","21850000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5492","","","0.1463","0.1429","","","0.3471","0.3481","","","","","","2.307","","2103524","","has coordinates","215354","2020-10-21","18:00:00",""
"2103527","4.97","","7.68","","13.302","","90","","90","","90","","507.7","","293","2","293","2","","","22850000","","","","","4","A 1 2 1","A 2y","5","","","","- Ga11 La6 Nb O28 -","- Ga11 La6 Nb O28 -","- Ga11 La6 Nb O28 -","1","0.25","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5492","","","0.1228","0.118","","","0.2962","0.3004","","","","","","2.428","","","","has coordinates","212008","2020-10-21","18:00:00",""
"2103528","7.68","","7.68","","4.97","","90","","90","","120","","253.9","","293","2","293","2","","","22850000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5492","","","0.1375","0.1322","","","0.3411","0.343","","","","","","2.537","","2103527","","has coordinates","215354","2020-10-21","18:00:00",""
"2103529","8.167","","8.167","","5.098","","90","","90","","120","","294.5","","293","2","293","2","","","2300000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5588","","","0.0396","0.0396","","","0.1069","0.1069","","","","","","0.97","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103530","8.155","","8.155","","5.091","","90","","90","","120","","293.2","","293","2","293","2","","","3300000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.71073","MoKα","","0.0376","0.0373","","","0.1082","0.1088","","","","","","1.038","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103531","8.158","","8.158","","5.099","","90","","90","","120","","293.9","","293","2","293","2","","","3000000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.04","0.0389","","","0.1249","0.1364","","","","","","1.138","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103532","8.135","","8.135","","5.09","","90","","90","","120","","291.7","","293","2","293","2","","","4500000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.6503","","","0.0327","0.0327","","","0.089","0.089","","","","","","0.909","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103533","8.126","","8.126","","5.083","","90","","90","","120","","290.7","","293","2","293","2","","","4800000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0439","0.0439","","","0.1315","0.1315","","","","","","1.076","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103534","8.116","","8.116","","5.086","","90","","90","","120","","290.1","","293","2","293","2","","","5100000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.54 La3 O14 Ta0.46 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.71073","MoKα","","0.0336","0.0335","","","0.0737","0.0738","","","","","","0.716","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103535","8.121","","8.121","","5.084","","90","","90","","120","","290.4","","293","2","293","2","","","5200000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.7107","MoKα","","0.0386","0.0384","","","0.1284","0.1286","","","","","","1.218","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103536","8.105","","8.105","","5.074","","90","","90","","120","","288.7","","293","2","293","2","","","6100000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.71073","MoKα","","0.0415","0.0412","","","0.0982","0.0984","","","","","","0.925","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103537","8.089","","8.089","","5.064","","90","","90","","120","","287","","293","2","293","2","","","6640000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.71073","MoKα","","0.0398","0.0391","","","0.106","0.1075","","","","","","1.016","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103538","8.084","","8.084","","5.069","","90","","90","","120","","286.9","","293","2","293","2","","","6800000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.7107","MoKα","","0.0311","0.0308","","","0.0796","0.08","","","","","","1.003","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103539","8.072","","8.072","","5.065","","90","","90","","120","","285.8","","293","2","293","2","","","7400000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.55885","","","0.0319","0.0319","","","0.0999","0.0999","","","","","","0.951","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103540","8.06","","8.06","","5.06","","90","","90","","120","","284.7","","293","2","293","2","","","7700000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.047","0.047","","","0.139","0.139","","","","","","1.241","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103541","8.069","","8.069","","5.062","","90","","90","","120","","285.4","","293","2","293","2","","","7800000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.7107","MoKα","","0.0446","0.0446","","","0.1081","0.1081","","","","","","1.028","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103542","8.063","","8.063","","5.059","","90","","90","","120","","284.8","","293","2","293","2","","","8150000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O18 Ta0.5 -","- Ga5.5 La3 O18 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.7093","","","0.0541","0.0528","","","0.125","0.1258","","","","","","1.16","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103543","8.022","","8.022","","5.046","","90","","90","","120","","281.2","","293","2","293","2","","","9500000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.54 La3 O14 Ta0.46 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.56","","","0.0469","0.0469","","","0.1432","0.1432","","","","","","1.292","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103544","8.024","","8.024","","5.049","","90","","90","","120","","281.5","","293","2","293","2","","","9670000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5492","","","0.0387","0.0383","","","0.1055","0.1069","","","","","","0.886","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2103545","8.014","","8.014","","5.046","","90","","90","","120","","280.7","","293","2","293","2","","","9900000","","","","","4","P 3 2 1","P 3 2""","150","","","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~","Acta Crystallographica Section B","2002","58","6","939","947","10.1107/S0108768102010273","","","0.5492","","","0.0412","0.0409","","","0.1111","0.1122","","","","","","0.973","","","","has coordinates","191892","2020-10-21","18:00:00",""
"2105696","5.0993","0.0003","11.9416","0.0006","5.4608","0.0003","90","","111.784","0.002","90","","308.78","0.03","288","2","288","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P.","Structural characterization of crystals of α-glycine during anomalous electrical behaviour","Acta Crystallographica Section B Structural Science","2002","58","4","728","","10.1107/S0108768102004263","","neutron","0.8395","neutron","","0.0407","0.0371","","","0.0764","0.0777","","","","","","1.204","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105697","5.0999","0.0003","11.9516","0.0006","5.4594","0.0003","90","","111.781","0.002","90","","309","0.03","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P.","Structural characterization of crystals of α-glycine during anomalous electrical behaviour","Acta Crystallographica Section B Structural Science","2002","58","4","728","","10.1107/S0108768102004263","","neutron","0.8395","neutron","","0.0297","0.0267","","","0.0602","0.0614","","","","","","1.154","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105698","5.1008","0.0003","11.9558","0.0008","5.4602","0.0003","90","","111.772","0.003","90","","309.23","0.03","304","2","304","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P.","Structural characterization of crystals of α-glycine during anomalous electrical behaviour","Acta Crystallographica Section B Structural Science","2002","58","4","728","","10.1107/S0108768102004263","","neutron","0.8395","neutron","","0.0309","0.0273","","","0.0653","0.0673","","","","","","1.087","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105699","5.1012","0.0003","11.9651","0.0009","5.4604","0.0004","90","","111.763","0.005","90","","309.53","0.04","313","2","313","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P.","Structural characterization of crystals of α-glycine during anomalous electrical behaviour","Acta Crystallographica Section B Structural Science","2002","58","4","728","","10.1107/S0108768102004263","","neutron","0.8395","neutron","","0.0321","0.03","","","0.0732","0.0741","","","","","","1.159","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105700","5.1026","0.0003","11.9752","0.0009","5.4602","0.0004","90","","111.757","0.005","90","","309.88","0.04","323","2","323","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P.","Structural characterization of crystals of α-glycine during anomalous electrical behaviour","Acta Crystallographica Section B Structural Science","2002","58","4","728","","10.1107/S0108768102004263","","neutron","0.8395","neutron","","0.0334","0.0311","","","0.0736","0.0746","","","","","","1.155","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105701","5.1074","0.0003","12.0775","0.0009","5.4596","0.0004","90","","111.827","0.005","90","","312.63","0.04","427","2","427","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P.","Structural characterization of crystals of α-glycine during anomalous electrical behaviour","Acta Crystallographica Section B Structural Science","2002","58","4","728","","10.1107/S0108768102004263","","neutron","0.8397","neutron","","0.0331","0.0314","","","0.0708","0.0718","","","","","","1.333","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106746","7.8249","","7.493","","16.9248","","90","","90","","105.041","","958.337","","","","","","","","","","","","","3","P 1 1 21/m","-P 2c","11","","Sr Mg F4","","- F4 Mg Sr -","- F4 Mg Sr -","- F48 Mg12 Sr12 -","12","3","","Abrahams, S.C.","Structurally ferroelectric Sr Mg F4","Acta Crystallographica B (39,1983-)","2002","58","","34","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106759","8.7863","","8.7863","","6.1667","","90","","90","","90","","476.063","","","","","","","","","","","","","2","P -4 m 2","P -4 -2","115","","","","- Hg I2 -","- Hg I2 -","- Hg4 I8 -","4","0.5","","Hostettler, M.; Birkedal, H.; Schwarzenbach, D.","The structure of orange Hg I2. I. Polytypic layer structure","Acta Crystallographica B (39,1983-)","2002","58","","903","913","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106764","3.952","","3.952","","17.244","","90","","90","","120","","233.24","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cu Se -","- Cu Se -","- Cu6 Se6 -","6","0.25","","Milman, V.","Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling","Acta Crystallographica B (39,1983-)","2002","58","","437","447","10.1107/S0108768102003269","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106765","3.85","","3.85","","16.555","","90","","90","","120","","212.511","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cu Se -","- Cu Se -","- Cu6 Se6 -","6","0.25","","Milman, V.","Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling","Acta Crystallographica B (39,1983-)","2002","58","","437","447","10.1107/S0108768102003269","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106766","3.778","","3.778","","15.908","","90","","90","","120","","196.639","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cu Se -","- Cu Se -","- Cu6 Se6 -","6","0.25","","Milman, V.","Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling","Acta Crystallographica B (39,1983-)","2002","58","","437","447","10.1107/S0108768102003269","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106767","3.658","","3.658","","15.106","","90","","90","","120","","175.052","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cu Se -","- Cu Se -","- Cu6 Se6 -","6","0.25","","Milman, V.","Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling","Acta Crystallographica B (39,1983-)","2002","58","","437","447","10.1107/S0108768102003269","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106768","3.604","","3.604","","14.597","","90","","90","","120","","164.196","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cu Se -","- Cu Se -","- Cu6 Se6 -","6","0.25","","Milman, V.","Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling","Acta Crystallographica B (39,1983-)","2002","58","","437","447","10.1107/S0108768102003269","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106769","3.706","","3.706","","12.046","","90","","90","","120","","143.28","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cu Se -","- Cu Se -","- Cu6 Se6 -","6","0.25","","Milman, V.","Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling","Acta Crystallographica B (39,1983-)","2002","58","","437","447","10.1107/S0108768102003269","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106770","3.691","","3.691","","11.442","","90","","90","","120","","134.996","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cu Se -","- Cu Se -","- Cu6 Se6 -","6","0.25","","Milman, V.","Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling","Acta Crystallographica B (39,1983-)","2002","58","","437","447","10.1107/S0108768102003269","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106771","4.999","","7.872","","13.635","","90","","90","","90","","536.566","","","","","","","","","","","","","4","A 1 2 1","A 2y","5","","La3 (Ta0.5 Ga0.5) Ga5 O14","","- Ga5.5 La3 O14 Ta0.5 -","- Ga5.5 La3 O14 Ta0.5 -","- Ga11 La6 O28 Ta -","2","0.5","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La3 Nb0.5 Ga5.5 O14 and La3 Ta0.5 Ga5.5O14","Acta Crystallographica B (39,1983-)","2002","58","","939","947","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2106774","5.0236","","7.956","","13.78","","90","","90","","90","","550.756","","","","","","","","","","","","","4","A 1 2 1","A 2y","5","","La3 (Nb0.5 Ga0.5) Ga5 O14","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga11 La6 Nb O28 -","2","0.5","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La3 Nb0.5 Ga5.5 O14 and La3 Ta0.5 Ga5.5 O14","Acta Crystallographica B (39,1983-)","2002","58","","939","947","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2106775","4.984","","7.664","","13.274","","90","","90","","90","","507.032","","","","","","","","","","","","","4","A 1 2 1","A 2y","5","","La3 (Nb0.5 Ga0.5) Ga5 O14","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga11 La6 Nb O28 -","2","0.5","","Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.","Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La3 Nb0.5 Ga5.5 O14 and La3 Ta0.5 Ga5.5 O14","Acta Crystallographica B (39,1983-)","2002","58","","939","947","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"9007701","11.63","","11.63","","11.63","","90","","90","","90","","1573.04","","","","","","","","","","","","Elba Isle, Campo, Italy","4","I a -3 d","-I 4bd 2c 3","230","","","Spessartine","- Al2 Mn3 O12 Si3 -","- Al2 Mn3 O12 Si3 -","- Al16 Mn24 O96 Si24 -","8","0.0833333","","Gramaccioli, C. M.; Pilati, T.; Demartin, F.","Atomic displacement parameters for spessartine Mn3Al2Si3O12 and their lattice-dynamical interpretation","Acta Crystallographica, Section B","2002","58","6","965","969","10.1107/S0108768102017925","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""