# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T11:36:52+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 = 50 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
"2101074","12.112","0.001","14.31","0.02","6.2043","0.0005","90","","90","","90","","1075.3","1.5","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","","","","","- C4 H16 N Na O10 -","- C4 H16 N Na O10 -","- C16 H64 N4 Na4 O40 -","4","1","AB0306","Brożek, Z.; Stadnicka, K.","Structure of sodium ammonium (+)-tartrate tetrahydrate at 200, 151 and 120 K","Acta Crystallographica Section B","1994","50","1","59","68","10.1107/S0108768193005105","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101075","12.088","0.002","14.28","0.03","6.192","0.001","90","","90","","90","","1069","2","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","","","","","- C4 H16 N Na O10 -","- C4 H16 N Na O10 -","- C16 H64 N4 Na4 O40 -","4","1","AB0306","Brożek, Z.; Stadnicka, K.","Structure of sodium ammonium (+)-tartrate tetrahydrate at 200, 151 and 120 K","Acta Crystallographica Section B","1994","50","1","59","68","10.1107/S0108768193005105","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101076","12.065","0.006","14.346","0.007","6.182","0.003","90","","90","","90","","1070","0.9","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","","","","","- C4 H16 N Na O10 -","- C4 H16 N Na O10 -","- C16 H64 N4 Na4 O40 -","4","1","AB0306","Brożek, Z.; Stadnicka, K.","Structure of sodium ammonium (+)-tartrate tetrahydrate at 200, 151 and 120 K","Acta Crystallographica Section B","1994","50","1","59","68","10.1107/S0108768193005105","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101077","5.857","0.003","5.857","0.003","7.521","0.002","90","","90","","120","","223.44","0.17","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","","","","","- Cr2 K3 Na O8 -","- Cr2 K3 Na O8 -","- Cr2 K3 Na O8 -","1","0.0833333","AL0554","Fábry, J.; Breczewski, T.; Madariaga, G.","Structure determination of the ferroelastic phase of K~3~Na(CrO~4~)~2~ at 200 and 230 K and the redetermination of its parent phase at 290 K","Acta Crystallographica Section B","1994","50","1","13","22","10.1107/S0108768193008079","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101078","10.128","0.003","5.8437","0.0005","15.022","0.002","90","","89.97","0.02","90","","889.1","0.3","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- Cr2 K3 Na O8 -","- Cr2 K3 Na O8 -","- Cr8 K12 Na4 O32 -","4","0.5","AL0554","Fábry, J.; Breczewski, T.; Madariaga, G.","Structure determination of the ferroelastic phase of K~3~Na(CrO~4~)~2~ at 200 and 230 K and the redetermination of its parent phase at 290 K","Acta Crystallographica Section B","1994","50","1","13","22","10.1107/S0108768193008079","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101079","10.117","0.001","5.843","0.002","15.024","0.002","90","","89.967","0.007","90","","888.1","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- Cr2 K3 Na O8 -","- Cr2 K3 Na O8 -","- Cr8 K12 Na4 O32 -","4","0.5","AL0554","Fábry, J.; Breczewski, T.; Madariaga, G.","Structure determination of the ferroelastic phase of K~3~Na(CrO~4~)~2~ at 200 and 230 K and the redetermination of its parent phase at 290 K","Acta Crystallographica Section B","1994","50","1","13","22","10.1107/S0108768193008079","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101080","10.117","0.001","5.843","0.002","15.024","0.002","90","","89.967","0.007","90","","888.1","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- Cr2 K3 Na O8 -","- Cr2 K3 Na O8 -","- Cr8 K12 Na4 O32 -","4","0.5","AL0554","Fábry, J.; Breczewski, T.; Madariaga, G.","Structure determination of the ferroelastic phase of K~3~Na(CrO~4~)~2~ at 200 and 230 K and the redetermination of its parent phase at 290 K","Acta Crystallographica Section B","1994","50","1","13","22","10.1107/S0108768193008079","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101081","14.992","0.003","19.124","0.004","5.614","0.001","90","","90","","90","","1609.6","0.5","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C23 H16 O -","- C23 H16 O -","- C92 H64 O4 -","4","1","AS0644","Mori, Y.; Maeda, K.","Structures and photochemical reactions of 1-(9-anthryl)-2-aroylethylenes: competing <i>cis</i>‒<i>trans</i> isomerization and skeletal rearrangement","Acta Crystallographica Section B","1994","50","1","106","112","10.1107/S0108768193008961","","","0.71068","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101082","11.641","0.005","13.914","0.01","10.399","0.006","90","","102.71","0.04","90","","1643.1","1.7","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","","","","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","AS0644","Mori, Y.; Maeda, K.","Structures and photochemical reactions of 1-(9-anthryl)-2-aroylethylenes: competing <i>cis</i>‒<i>trans</i> isomerization and skeletal rearrangement","Acta Crystallographica Section B","1994","50","1","106","112","10.1107/S0108768193008961","","","0.71068","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101083","9.106","0.004","25.977","0.009","7.478","0.002","90","","96.76","0.05","90","","1756.6","1.1","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C25 H18 O -","- C25 H18 O -","- C100 H72 O4 -","4","1","AS0644","Mori, Y.; Maeda, K.","Structures and photochemical reactions of 1-(9-anthryl)-2-aroylethylenes: competing <i>cis</i>‒<i>trans</i> isomerization and skeletal rearrangement","Acta Crystallographica Section B","1994","50","1","106","112","10.1107/S0108768193008961","","","0.71068","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101084","12.032","0.002","13.608","0.003","10.829","0.003","90","","95.78","0.02","90","","1764","0.7","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C25 H18 O -","- C25 H18 O -","- C100 H72 O4 -","4","1","AS0644","Mori, Y.; Maeda, K.","Structures and photochemical reactions of 1-(9-anthryl)-2-aroylethylenes: competing <i>cis</i>‒<i>trans</i> isomerization and skeletal rearrangement","Acta Crystallographica Section B","1994","50","1","106","112","10.1107/S0108768193008961","","","0.71068","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101085","12.329","0.005","11.229","0.005","8.229","0.005","98.42","0.05","106.43","0.05","99.05","0.05","1057","1","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 O8 S6 -","- C46 H50 O10 S6 -","- C46 H50 O10 S6 -","1","0.5","CR0456","Marsh, R. E.","On the crystal structures of two inclusion compounds of tris(5-acetyl-3-thienyl)methane","Acta Crystallographica Section B","1994","50","1","112","116","10.1107/S0108768193009152","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2101086","12.488","0.005","10.372","0.005","8.335","0.005","84.95","0.05","108.74","0.05","98.51","0.05","1010.2","0.9","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 O7 S6 -","- C43 H54 O6 S6 -","- C43 H54 O6 S6 -","1","0.5","CR0456","Marsh, R. E.","On the crystal structures of two inclusion compounds of tris(5-acetyl-3-thienyl)methane","Acta Crystallographica Section B","1994","50","1","112","116","10.1107/S0108768193009152","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2101087","10.128","0.003","11.035","0.004","11.198","0.004","90","","113.71","","90","","1145.9","0.7","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","HA0118","Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G.","Crystal and molecular structures of pyridazinone cardiovascular agents","Acta Crystallographica Section B","1994","50","1","71","85","10.1107/S0108768193005713","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101088","9","0.004","9.398","0.001","11.355","0.008","90","","110.97","0.04","90","","896.8","0.8","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C40 H36 N12 O4 -","4","1","HA0118","Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G.","Crystal and molecular structures of pyridazinone cardiovascular agents","Acta Crystallographica Section B","1994","50","1","71","85","10.1107/S0108768193005713","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101089","8.017","0.002","7.199","0.005","8.944","0.002","90","","98.29","","90","","510.8","0.4","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C22 H22 N6 O2 -","2","1","HA0118","Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G.","Crystal and molecular structures of pyridazinone cardiovascular agents","Acta Crystallographica Section B","1994","50","1","71","85","10.1107/S0108768193005713","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101090","4.434","0.001","15.267","0.002","17.045","0.002","90","","69.42","0.02","90","","1080.2","0.3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","1","HA0118","Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G.","Crystal and molecular structures of pyridazinone cardiovascular agents","Acta Crystallographica Section B","1994","50","1","71","85","10.1107/S0108768193005713","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101091","17.048","0.002","9.5","0.01","7.54","0.002","90","","90.57","0.02","90","","1221.1","1.3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C52 H52 N12 O12 -","4","1","HA0118","Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G.","Crystal and molecular structures of pyridazinone cardiovascular agents","Acta Crystallographica Section B","1994","50","1","71","85","10.1107/S0108768193005713","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101092","7.36","0.002","7.469","0.003","33.061","0.007","90","","90","","90","","1817.4","1","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C80 H72 N24 O8 -","8","1","HA0118","Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G.","Crystal and molecular structures of pyridazinone cardiovascular agents","Acta Crystallographica Section B","1994","50","1","71","85","10.1107/S0108768193005713","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101093","7.612","0.004","5.765","0.004","19.249","0.004","90","","101.3","0.04","90","","828.3","0.8","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C40 H32 N8 O4 -","4","1","HA0118","Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G.","Crystal and molecular structures of pyridazinone cardiovascular agents","Acta Crystallographica Section B","1994","50","1","71","85","10.1107/S0108768193005713","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101094","7.47","0.002","11.52","0.002","11.898","0.004","112.85","0.02","102.06","0.02","96.57","0.02","900.7","0.5","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 N3 O -","- C10 H11 N3 O -","- C40 H44 N12 O4 -","4","2","HA0118","Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G.","Crystal and molecular structures of pyridazinone cardiovascular agents","Acta Crystallographica Section B","1994","50","1","71","85","10.1107/S0108768193005713","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2101095","10.96","0.002","9.697","0.006","13.5885","0.0008","90","","98.544","0.009","90","","1428.1","0.9","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 Br N3 O2 -","- C14 H16 Br N3 O2 -","- C56 H64 Br4 N12 O8 -","4","2","HA0118","Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G.","Crystal and molecular structures of pyridazinone cardiovascular agents","Acta Crystallographica Section B","1994","50","1","71","85","10.1107/S0108768193005713","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101096","7.162","0.003","8.026","0.003","39.96","0.02","90","","90","","90","","2297","1.7","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C17 H35 Cl2 N3 O8 -","- C17 H24 Cl2 N3 O8 -","- C68 H96 Cl8 N12 O32 -","4","1","HA0118","Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G.","Crystal and molecular structures of pyridazinone cardiovascular agents","Acta Crystallographica Section B","1994","50","1","71","85","10.1107/S0108768193005713","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101097","6.417","0.001","6.892","0.002","15.629","0.005","90","","90","","90","","691.2","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C5 H10 N2 O2 -","- C5 H10 N2 O2 -","- C20 H40 N8 O8 -","4","1","HA0118","Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G.","Crystal and molecular structures of pyridazinone cardiovascular agents","Acta Crystallographica Section B","1994","50","1","71","85","10.1107/S0108768193005713","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101098","10.722","0.002","11.635","0.006","34.105","0.003","90","","90","","90","","4255","2","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H28 N5 O5 S -","- C17 H23 N5 O9 S -","- C136 H184 N40 O72 S8 -","8","1","HA0119","Prout, K.; Burns, K.; Roe, A. M.","Structure of the β-blocker/vasodilator agent prizidilol, <small>DL</small>-6-{2-[3-(<i>tert</i>-butylamino)-2-hydroxypropoxy]phenyl}-3-pyridazinylhydrazine hemisulfate monohydrate","Acta Crystallographica Section B","1994","50","1","68","71","10.1107/S0108768193005117","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101099","13.419","0.0001","13.419","0.0001","13.419","0.0001","90","","90","","90","","2416.33","0.05","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- K2 Mg O12 Si5 -","- K2 Mg6 O12 Si6 -","- K16 Mg48 O96 Si48 -","8","0.0833333","LI0152","Bell, A. M. T.; Henderson, C. M. B.; Redfern, S. A. T.; Cernik, R. J.; Champness, P. E.; Fitch, A. N.; Kohn, S. C.","Structures of synthetic K~2~MgSi~5~O~12~ leucites by integrated X-ray powder diffraction, electron diffraction and ^29^Si MAS NMR methods","Acta Crystallographica Section B","1994","50","1","31","41","10.1107/S0108768193008754","","","1.52094","electron","","","","","","","","","","","","","","","","","has coordinates","205968","2020-10-21","18:00:00",""
"2101100","13.168","0.005","13.6518","0.0001","13.072","0.005","90","","91.69","","90","","2348","2","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- K2 Mg O12 Si5 -","- K2 Mg O12 Si5 -","- K16 Mg8 O96 Si40 -","8","2","LI0152","Bell, A. M. T.; Henderson, C. M. B.; Redfern, S. A. T.; Cernik, R. J.; Champness, P. E.; Fitch, A. N.; Kohn, S. C.","Structures of synthetic K~2~MgSi~5~O~12~ leucites by integrated X-ray powder diffraction, electron diffraction and ^29^Si MAS NMR methods","Acta Crystallographica Section B","1994","50","1","31","41","10.1107/S0108768193008754","","","1.52094","electron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101101","8.764","0.0003","11.112","0.001","11.323","0.002","102.1","0.02","95.44","0.05","109.12","0.01","1002.6","0.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","- C48 H40 N4 O8 -","2","1","MU0307","Ciechanowicz-Rutkowska, M.; Kieć-Kononowicz, K.; Howard, S. T.; Lieberman, H.; Hursthouse, M. B.","Molecular and electronic structures of two (anticonvulsant) diphenylhydantoin derivatives","Acta Crystallographica Section B","1994","50","1","86","96","10.1107/S0108768193007943","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2101102","8.0392","0.0007","9.7237","0.0006","26.9768","0.0012","90","","94.281","0.004","90","","2102.9","0.2","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl2 N2 O4 -","- C24 H18 Cl2 N2 O4 -","- C96 H72 Cl8 N8 O16 -","4","1","MU0307","Ciechanowicz-Rutkowska, M.; Kieć-Kononowicz, K.; Howard, S. T.; Lieberman, H.; Hursthouse, M. B.","Molecular and electronic structures of two (anticonvulsant) diphenylhydantoin derivatives","Acta Crystallographica Section B","1994","50","1","86","96","10.1107/S0108768193007943","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101103","14.837","0.004","12.457","0.002","12.505","0.002","90","","90","","90","","2311.2","0.8","","","","","","","","","","","","2","P n 21 a","P -2ac -2n","","","","","- Al28 Mn11 -","- Al29 Mn10 -","- Al116 Mn40 -","4","1","ST0614","Shi, N. C.; Li, X. Z.; Ma, Z. S.; Kuo, K. H.","Crystalline phases related to a decagonal quasicrystal. I. A single-crystal X-ray diffraction study of the orthorhombic Al~3~Mn phase","Acta Crystallographica Section B","1994","50","1","22","30","10.1107/S0108768193008729","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101104","11.635","0.003","8.837","0.002","18.149","0.004","90","","103.17","0.03","90","","1817","0.8","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 Bi O2 -","- C19 H23 Bi O2 -","- C76 H92 Bi4 O8 -","4","1","AS0619","Yoshida, S.; Yasui, M.; Iwasaki, F.; Yamamoto, Y.; Chen, X.; Akiba, K.","Crystal and molecular structures of bismuth compounds of a spiro-σ-sulfurane type","Acta Crystallographica Section B","1994","50","2","151","157","10.1107/S0108768193010201","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101105","19.902","0.004","18.353","0.002","17.303","0.002","90","","109.69","0.02","90","","5950.6","1.7","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C18 H21 Bi O2 -","- C18 H22 Bi O2 -","- C216 H264 Bi12 O24 -","12","1.5","AS0619","Yoshida, S.; Yasui, M.; Iwasaki, F.; Yamamoto, Y.; Chen, X.; Akiba, K.","Crystal and molecular structures of bismuth compounds of a spiro-σ-sulfurane type","Acta Crystallographica Section B","1994","50","2","151","157","10.1107/S0108768193010201","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101106","15.547","0.002","15.9","0.002","11.996","0.002","90","","90.19","0.02","90","","2965.4","0.7","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Bi F12 N O3 -","- C26 H30 Bi F12 N O3 -","- C104 H120 Bi4 F48 N4 O12 -","4","1","AS0619","Yoshida, S.; Yasui, M.; Iwasaki, F.; Yamamoto, Y.; Chen, X.; Akiba, K.","Crystal and molecular structures of bismuth compounds of a spiro-σ-sulfurane type","Acta Crystallographica Section B","1994","50","2","151","157","10.1107/S0108768193010201","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101107","30.049","0.004","16.055","0.002","11.462","0.002","90","","96.36","0.01","90","","5495.7","1.4","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- H46 K3 Na4 O58 Pr W10 -","- K3 Na4 O58 Pr W10 -","- K12 Na16 O232 Pr4 W40 -","4","1","AS0653","Ozeki, T.; Yamase, T.","Effect of lanthanide contraction on the structures of the decatungstolanthanoate anions in K~3~Na~4~H~2~[LnW~10~O~36~].<i>n</i>H~2~O (Ln = Pr, Nd, Sm, Gd, Tb, Dy) crystals","Acta Crystallographica Section B","1994","50","2","128","134","10.1107/S0108768193011553","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101108","30.057","0.005","16.051","0.004","11.468","0.002","90","","96.52","0.02","90","","5496.9","1.9","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- H46 K3 Na4 Nd O58 W10 -","- K3 Na4 Nd O58 W10 -","- K12 Na16 Nd4 O232 W40 -","4","1","AS0653","Ozeki, T.; Yamase, T.","Effect of lanthanide contraction on the structures of the decatungstolanthanoate anions in K~3~Na~4~H~2~[LnW~10~O~36~].<i>n</i>H~2~O (Ln = Pr, Nd, Sm, Gd, Tb, Dy) crystals","Acta Crystallographica Section B","1994","50","2","128","134","10.1107/S0108768193011553","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101109","29.816","0.006","16.097","0.004","11.443","0.002","90","","96.36","0.02","90","","5458","2","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Dy H44 K3 Na4 O57 W10 -","- Dy K3 Na4 O57 W10 -","- Dy4 K12 Na16 O228 W40 -","4","1","AS0653","Ozeki, T.; Yamase, T.","Effect of lanthanide contraction on the structures of the decatungstolanthanoate anions in K~3~Na~4~H~2~[LnW~10~O~36~].<i>n</i>H~2~O (Ln = Pr, Nd, Sm, Gd, Tb, Dy) crystals","Acta Crystallographica Section B","1994","50","2","128","134","10.1107/S0108768193011553","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101110","5.9701","0.0007","6.7357","0.0006","9.577","0.001","77.21","0.01","79.95","0.01","75.45","0.01","360.62","0.07","","","","","","","","","","","","4","P 1","P 1","1","","","","- C13 H18 N2 O7 -","- C13 H18 N2 O7 -","- C13 H18 N2 O7 -","1","1","CR0428","Wei, Y.; Barton, R.; Robertson, B.","Electron-density and electrostatic potential distributions in nucleoside analogs. I. An experimental study of 3'-<i>O</i>-acetyl-2'-deoxy-5-methoxymethyluridine","Acta Crystallographica Section B","1994","50","2","161","174","10.1107/S0108768193012017","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2101111","12.38","","8.88","","7.56","","90","","90","","90","","831.104","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","","","","","- C4 H8 -","- C8 -","- C32 -","4","1","CR0447","Dorset, D. L.; McCourt, M. P.; Kopp, S.; Wittmann, J.-C.; Lotz, B.","Direct determination of polymer crystal structures by electron crystallography ‒ isotactic poly(1-butene), form (III)","Acta Crystallographica Section B","1994","50","2","201","208","10.1107/S0108768193009140","","","","electron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101112","7.073","0.001","11.624","0.001","8.231","0.001","90","","96.79","0.01","90","","671.98","0.14","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 N4 O8 -","- C12 H12 N4 O8 -","- C24 H24 N8 O16 -","2","1","CR1059","Ammon, H. L.; Du, Z.; Holden, J. R.; Paquette, L. A.","Structure of 1,1,5,5-tetranitro-[4]peristylane. Structure solution from molecular packing analysis","Acta Crystallographica Section B","1994","50","2","216","220","10.1107/S0108768193009279","","","1.54178","CuKα","","","0.057","","","0.067","","","","","1.7","1.7","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101113","6.314","0.002","11.192","0.002","19.441","0.005","102.47","0.02","92.77","0.02","103.28","0.02","1298.6","0.6","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Br4 N5 O -","- C21 H27 Br4 N5 O -","- C42 H54 Br8 N10 O2 -","2","1","HA0121","Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S.","Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists","Acta Crystallographica Section B","1994","50","2","221","243","10.1107/S0108768193010407","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2101114","16.359","0.003","10.469","0.006","18.339","0.004","90","","90.9","0.02","90","","3140","2","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","","","","","- C14 H19 Br N4 O2 -","- C14 H20 Br N4 O2 -","- C112 H160 Br8 N32 O16 -","8","1","HA0121","Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S.","Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists","Acta Crystallographica Section B","1994","50","2","221","243","10.1107/S0108768193010407","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101115","14.295","0.002","12.447","0.002","9.917","0.002","95.77","0.02","113.86","0.02","106.91","0.01","1495.2","0.6","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Br N5 O S -","- C12 H16 Br N7 O2 S2 -","- C48 H64 Br4 N28 O8 S8 -","4","2","HA0121","Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S.","Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists","Acta Crystallographica Section B","1994","50","2","221","243","10.1107/S0108768193010407","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2101116","36.293","0.007","4.826","0.002","11.528","0.003","90","","96.91","0.02","90","","2004.5","1.1","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C19 H22 Br N5 O S -","- C19 H22 Br N5 O S -","- C76 H88 Br4 N20 O4 S4 -","4","1","HA0121","Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S.","Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists","Acta Crystallographica Section B","1994","50","2","221","243","10.1107/S0108768193010407","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101117","7.082","0.001","19.889","0.003","24.899","0.003","90","","90","","90","","3507.1","0.8","","","","","","","","","","","","4","P b n a","-P 2ac 2b","","","","","- C19 H21 N5 O -","- C19 H22 N5 O -","- C152 H176 N40 O8 -","8","1","HA0121","Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S.","Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists","Acta Crystallographica Section B","1994","50","2","221","243","10.1107/S0108768193010407","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101118","6.686","0.002","14.717","0.003","20.85","0.005","90","","97.83","0.02","90","","2032.5","0.9","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 F N6 O S -","- C19 H23 F N6 O S -","- C76 H92 F4 N24 O4 S4 -","4","1","HA0121","Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S.","Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists","Acta Crystallographica Section B","1994","50","2","221","243","10.1107/S0108768193010407","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101119","14.966","0.002","16.075","0.002","9.1608","0.0009","90","","99.158","0.008","90","","2175.8","0.5","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C23 H29 N5 O2 -","- C24 H35 N5 O2 -","- C96 H140 N20 O8 -","4","1","HA0121","Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S.","Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists","Acta Crystallographica Section B","1994","50","2","221","243","10.1107/S0108768193010407","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101120","8.04","0.004","21.279","0.004","11.404","0.002","90","","92.08","0.05","90","","1949.7","1.1","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C20 H26 N4 O3 -","- C20 H27 N4 O3 -","- C80 H108 N16 O12 -","4","1","HA0121","Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S.","Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists","Acta Crystallographica Section B","1994","50","2","221","243","10.1107/S0108768193010407","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101121","8.577","0.003","9.197","0.002","11.83","0.002","86.57","0.02","81.88","0.02","69.83","0.02","867.1","0.4","","","","","","","","","","","","5","P 1","P 1","1","","","","- C18 H19 N5 O S -","- C18 H18.5 N5 O S2 -","- C36 H37 N10 O2 S4 -","2","2","HA0121","Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S.","Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists","Acta Crystallographica Section B","1994","50","2","221","243","10.1107/S0108768193010407","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2101122","8.1451","0.0002","19.522","0.004","12.564","0.005","90","","106.78","0.03","90","","1912.7","0.9","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C21 H25 N5 O2 -","- C21 H25 N5 O2 -","- C84 H100 N20 O8 -","4","1","HA0121","Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S.","Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists","Acta Crystallographica Section B","1994","50","2","221","243","10.1107/S0108768193010407","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101123","4.992","0.001","7.503","0.003","67.448","0.008","90.02","0.02","90","0.01","89.95","0.03","2526.3","1.2","","","","","","","","","","","","2","C m c 21","C 2c -2","","","","","- C50 H104 -","- C28 H63 -","- C112 H252 -","4","0.5","LI0147","Gerson, A. R.; Nyburg, S. C.","Structures of two binary <i>n</i>-alkane solid solutions","Acta Crystallographica Section B","1994","50","2","252","256","10.1107/S0108768193009504","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101124","5.02","0.001","7.711","0.004","58.6","0.2","90.8","0.2","89.6","","90.01","0.05","2268","8","","","","","","","","","","","","2","F m m m","-F 2 2","","","","","- C42 H88 -","- C88 -","- C352 -","4","0.125","LI0147","Gerson, A. R.; Nyburg, S. C.","Structures of two binary <i>n</i>-alkane solid solutions","Acta Crystallographica Section B","1994","50","2","252","256","10.1107/S0108768193009504","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101125","8.6236","0.0005","13.5926","0.001","12.8623","0.0006","90","","102.792","0.004","90","","1470.26","0.16","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Ferrocenylmethyl)trimethylammonium Iodide","(Ferrocenylmethyl)trimethylammonium Iodide","","- C14 H20 Fe I N -","- C14 H20 Fe I N -","- C56 H80 Fe4 I4 N4 -","4","1","LI1071","Ferguson, George; Gallagher, John F.; Glidewell, Christopher; Zakaria, Choudhury M.","Structures of (ferrocenylmethyl)trimethylammonium iodide and hexa-<i>N</i>-methylferrocene-1,1'-diylbis(methylammonium iodide)","Acta Crystallographica Section B","1994","50","2","146","150","10.1107/S0108768193010985","","","0.7093","MoKα","","0.034","0.024","","0.037","0.035","","","","","1.47","1.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101126","27.1457","0.0012","12.3446","0.0006","14.5295","0.001","90","","115.909","0.004","90","","4379.5","0.4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Hexamethylferrocenediylbis(methylammonium iodide)","Hexa-N-methylferrocene-1,1'-diylbis(methylammonium iodide)","","- C18 H30 Fe I2 N2 -","- C18 H30 Fe I2 N2 -","- C144 H240 Fe8 I16 N16 -","8","1","LI1071","Ferguson, George; Gallagher, John F.; Glidewell, Christopher; Zakaria, Choudhury M.","Structures of (ferrocenylmethyl)trimethylammonium iodide and hexa-<i>N</i>-methylferrocene-1,1'-diylbis(methylammonium iodide)","Acta Crystallographica Section B","1994","50","2","146","150","10.1107/S0108768193010985","","","0.7093","MoKα","","0.07","0.031","","0.046","0.043","","","","","1.7","1.7","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101127","12.122","0.002","3.783","0.001","26.621","0.003","90","","92.56","0.05","90","","1219.6","0.4","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C11 H8 N4 O7 -","- C11 H8 N4 O7 -","- C44 H32 N16 O28 -","4","1","MU0308","Botoshansky, M.; Herbstein, F. H.; Kapon, M.","Pyridinium picrate ‒ the structures of phases I and II. Correction of previous report for phase I. Study of the phase transformation","Acta Crystallographica Section B","1994","50","2","191","200","10.1107/S0108768193008584","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101128","10.156","0.002","8.984","0.002","7.23","0.001","86.38","0.05","80.1","0.05","89.97","0.05","648.5","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H8 N4 O7 -","- C11 H8 N4 O7 -","- C22 H16 N8 O14 -","2","1","MU0308","Botoshansky, M.; Herbstein, F. H.; Kapon, M.","Pyridinium picrate – the structures of phases I and II. Correction of previous report for phase I. Study of the phase transformation","Acta Crystallographica Section B","1994","50","2","191","200","10.1107/S0108768193008584","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2101129","5.17","0.001","8.518","0.001","19.217","0.002","86.65","0.01","83.6","0.01","75.46","0.01","813.7","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H26 Cu O4 -","- C14 H26 Cu O4 -","- C28 H52 Cu2 O8 -","2","1","PA0287","Ghermani, N.-E.; Lecomte, C.; Rapin, C.; Steinmetz, P.; Steinmetz, J.; Malaman, B.","Structure and preliminary electron distribution of copper heptanoate from room-temperature X-ray data","Acta Crystallographica Section B","1994","50","2","157","160","10.1107/S0108768193010419","","","0.70928","MoKα","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101130","4.874","0.002","11.714","0.004","8.088","0.002","90","","107.3","0.3","90","","440.9","0.8","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 N2 O2 -","- C8 H2 N2 O2 -","- C16 H4 N4 O4 -","2","0.5","SE0129","Tereshko, V.; Monserrat, J. M.; Pérez-Folch, J.; Aymamí, J.; Fita, I.; Subirana, J. A.","Structure of the stacked cyclic oligoamides: 1,6-diaza-2,7-cyclodecadione and 1,5,9-triaza-2,6,10-cyclododecatrione. A ring model of the α-helix","Acta Crystallographica, Section B: Structural Science","1994","50","2","243","251","10.1107/S0108768193008924","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","277628","2022-09-05","09:44:04",""
"2101131","13.74","0.02","13.74","0.02","4.82","0.01","90","","90","","120","","788","2","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C9 H15 N3 O3 -","- C12 H12 N6 O6 -","- C36 H36 N18 O18 -","3","0.166667","SE0129","Tereshko, V.; Monserrat, J. M.; Pérez-Folch, J.; Aymamí, J.; Fita, I.; Subirana, J. A.","Structure of the stacked cyclic oligoamides: 1,6-diaza-2,7-cyclodecadione and 1,5,9-triaza-2,6,10-cyclododecatrione. A ring model of the α-helix","Acta Crystallographica, Section B: Structural Science","1994","50","2","243","251","10.1107/S0108768193008924","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","277628","2022-09-05","09:44:05",""
"2101132","4.6863","0.0007","4.6863","0.0007","9.191","0.002","90","","90","","90","","201.8","0.2","","","","","","","","","","","","3","P42 mnm","-P 4n 2n","","","","","- F6 Li2 Mo -","- F6 Li2 Mo -","- F12 Li4 Mo2 -","2","","SH0038","Baur, W. H.","Space group of the trirutile type structure of Li~2~MoF~6~","Acta Crystallographica Section B","1994","50","2","141","146","10.1107/S0108768193011978","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101133","4.6863","0.0007","4.6863","0.0007","9.191","0.002","90","","90","","90","","201.8","0.2","","","","","","","","","","","","3","P 42 21 2","P 4n 2n","","","","","- F6 Li2 Mo -","- F6 Li2 Mo -","- F12 Li4 Mo2 -","2","0.25","SH0038","Baur, W. H.","Space group of the trirutile type structure of Li~2~MoF~6~","Acta Crystallographica Section B","1994","50","2","141","146","10.1107/S0108768193011978","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101134","13.664","0.003","9.281","0.002","14.42","0.003","90","","91.8","0.02","90","","1827.8","0.7","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H12 O6 -","- C26 H12 O6 -","- C104 H48 O24 -","4","1","SH0039","Herbstein, F. H.; Marsh, R. E.; Samson, S.","X-ray diffraction study of the crystal structure of the π-molecular compound pyrene^{···^}pyromellitic dianhydride at 19 K","Acta Crystallographica Section B","1994","50","2","174","181","10.1107/S0108768193011668","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101135","20.1738","0.0004","20.1738","0.0004","7.2205","0.0001","90","","90","","90","","2938.62","0.09","","","","","","","","","cooling to about 110 K","","","3","P 4/n :2","-P 4a","85","","","","- Al3 F19 Pb5 -","- Al3 F19 Pb5 -","- Al24 F152 Pb40 -","8","1","ST0617","Andriamampianina, V.; Gravereau, P.; Ravez, J.; Abrahams, S. C.","Relationship between the structures of ferroelectric Pb~5~Cr~3~F~19~ and antiferroelectric Pb~5~Al~3~F~19~ at 295 K and the phase III‒phase IV transition in Pb~5~Al~3~F~19~ on cooling to about 110 K","Acta Crystallographica Section B","1994","50","2","135","141","10.1107/S010876819301050X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101136","8.033","0.001","22.77","0.006","8.193","0.001","90","","90","","90","","1498.6","0.5","","","","","","","","","","","","4","P b c n","-P 2n 2ab","","","","","- C15 H19 N3 S -","- C16 H19 N4 S2 -","- C64 H76 N16 S8 -","4","0.5","AB0307","Bartoszak, E.; Jaskólski, M.; Grech, E.; Gustafsson, T.; Olovsson, I.","Structure of thiocanate salt of 1,8-bis(dimethylamino)naphthalene (dmanH^+^.SCN^{-^}) at 188 and 290 K","Acta Crystallographica Section B","1994","50","3","358","363","10.1107/S010876819301242X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101137","8.0608","0.0009","22.941","0.003","8.266","0.002","90","","90","","90","","1528.6","0.5","","","","","","","","","","","","4","P b c n","-P 2n 2ab","","","","","- C15 H19 N3 S -","- C16 H19 N4 S2 -","- C64 H76 N16 S8 -","4","0.5","AB0307","Bartoszak, E.; Jaskólski, M.; Grech, E.; Gustafsson, T.; Olovsson, I.","Structure of thiocanate salt of 1,8-bis(dimethylamino)naphthalene (dmanH^+^.SCN^{-^}) at 188 and 290 K","Acta Crystallographica Section B","1994","50","3","358","363","10.1107/S010876819301242X","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101138","8.012","0.0005","8.012","0.0005","10.712","0.001","90","","90","","90","","687.63","0.09","","","","","","","","","","","","4","I -4 c 2","I -4 -2c","","","","","- Be H8 O8 S -","- Be H8 O8 S -","- Be4 H32 O32 S4 -","4","0.25","AB0310","Kellersohn, T.; Delaplane, R. G.; Olovsson, I.","The synergetic effect in beryllium sulfate tetrahydrate ‒ an experimental electron-density study","Acta Crystallographica Section B","1994","50","3","316","326","10.1107/S010876819400039X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101139","7.9986","0.0006","7.9986","0.0006","10.705","0.001","90","","90","","90","","684.88","0.1","","","","","","","","","","","","4","I -4 c 2","I -4 -2c","","","","","- Be H8 O8 S -","- Be H8 O8 S -","- Be4 H32 O32 S4 -","4","0.25","AB0310","Kellersohn, T.; Delaplane, R. G.; Olovsson, I.","The synergetic effect in beryllium sulfate tetrahydrate ‒ an experimental electron-density study","Acta Crystallographica Section B","1994","50","3","316","326","10.1107/S010876819400039X","","neutron","1.037","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101140","7.9922","0.0009","7.9922","0.0009","10.702","0.002","90","","90","","90","","683.59","0.17","","","","","","","","","","","","4","I -4 c 2","I -4 -2c","","","","","- Be H8 O8 S -","- Be H8 O8 S -","- Be4 H32 O32 S4 -","4","0.25","AB0310","Kellersohn, T.; Delaplane, R. G.; Olovsson, I.","The synergetic effect in beryllium sulfate tetrahydrate ‒ an experimental electron-density study","Acta Crystallographica Section B","1994","50","3","316","326","10.1107/S010876819400039X","","neutron","1.037","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101141","7.4153","0.0002","8.3054","0.0002","3.195","0.0001","90","","110.107","0.004","90","","184.778","0.01","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","","","","","- H3 Li O2 -","- H3 Li O2 -","- H12 Li4 O8 -","4","0.5","AB0314","Ojamäe, L.; Hermansson, K.; Pisani, C.; Causà, M.; Roetti, C.","Structural, vibrational and electronic properties of a crystalline hydrate from <i>ab initio</i> periodic Hartree‒Fock calculations","Acta Crystallographica Section B","1994","50","3","268","279","10.1107/S0108768193010390","","neutron","1.21","Neutron","","","","","","","","","","","","","","","","","has coordinates","191100","2020-10-21","18:00:00",""
"2101142","8.4238","0.0012","5.4766","0.0007","15.959","0.002","90","","95.962","0.011","90","","732.27","0.17","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C32 H28 F4 O12 -","4","1","AB0316","Larsen, S.; Marthi, K.","Structures of racemic monofluoro-substituted mandelic acids, their relation to the thermochemical properties and an analysis of short intermolecular fluorine‒carbon contacts","Acta Crystallographica Section B","1994","50","3","373","381","10.1107/S0108768193010766","","","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101143","10.8657","0.0014","9.2663","0.001","15.722","0.002","90","","107.474","0.01","90","","1509.9","0.3","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","","","","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C64 H56 F8 O24 -","8","2","AB0316","Larsen, S.; Marthi, K.","Structures of racemic monofluoro-substituted mandelic acids, their relation to the thermochemical properties and an analysis of short intermolecular fluorine‒carbon contacts","Acta Crystallographica Section B","1994","50","3","373","381","10.1107/S0108768193010766","","","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101144","9.4685","0.0009","16.497","0.002","9.7677","0.0008","90","","90","","90","","1525.7","0.3","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C64 H56 F8 O24 -","8","1","AB0316","Larsen, S.; Marthi, K.","Structures of racemic monofluoro-substituted mandelic acids, their relation to the thermochemical properties and an analysis of short intermolecular fluorine‒carbon contacts","Acta Crystallographica Section B","1994","50","3","373","381","10.1107/S0108768193010766","","","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101145","6.161","0.003","6.175","0.003","20.813","0.006","90","","90.42","0.03","90","","791.8","0.6","","","","","","","","","","","","3","A 1 2/a 1","-A 2ya","15","","","","- Al4 Fe Si -","- Al5.5 Fe -","- Al44 Fe8 -","8","1","AB0317","Rømming, C.; Hansen, V.; Gjønnes, J.","Crystal structure of β-Al~4.5~FeSi","Acta Crystallographica Section B","1994","50","3","307","312","10.1107/S0108768193013096","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101146","7.414","0.002","7.289","0.002","26.803","0.007","90","","90","","90","","1448.5","0.7","","","","","","","","","","","","5","A e m a","-A 2ab 2ab","64","","","","- C6 H20 Cl4 Mn N2 -","- C10 Cl4 Mn N2 -","- C40 Cl16 Mn4 N8 -","4","0.25","DU0377","Meyer, M.; Paciorek, W. A.; Schenk, K. J.; Chapuis, G.; Depmeier, W.","Incommensurately modulated structure of γ-PAMC: new experimental evidence for amplitude and phase fluctuations","Acta Crystallographica Section B","1994","50","3","333","343","10.1107/S0108768193011425","","","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","206163","2020-10-21","18:00:00",""
"2101147","6.13661","0.00004","3.47501","0.00001","11.97044","0.00002","90","","105.978","0.0001","90","","245.406","0.0018","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2 D6 O6 -","- C2 D6 O6 -","- C4 D12 O12 -","2","0.5","MU0311","Lehmann, A.; Luger, P.; Lehmann, C. W.; Ibberson, R. M.","Oxalic acid dihydrate – an accurate low-temperature structural study using high-resolution neutron powder diffraction","Acta Crystallographica Section B","1994","50","3","344","348","10.1107/S0108768193011656","","","","","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101148","6.13338","0.00006","3.50018","0.00001","11.98334","0.00004","90","","106.06","0.0002","90","","247.218","0.003","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2 D6 O6 -","- C2 D6 O6 -","- C4 D12 O12 -","2","0.5","MU0311","Lehmann, A.; Luger, P.; Lehmann, C. W.; Ibberson, R. M.","Oxalic acid dihydrate – an accurate low-temperature structural study using high-resolution neutron powder diffraction","Acta Crystallographica Section B","1994","50","3","344","348","10.1107/S0108768193011656","","","","","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101149","5.753","0.002","7.503","0.002","14.27","0.002","90","","90","","90","","616","0.3","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","SE0122","Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A.","Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures","Acta Crystallographica Section B","1994","50","3","363","373","10.1107/S0108768193008523","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101150","6.304","0.002","7.937","0.002","17.203","0.002","90","","91.59","0.02","90","","860.4","0.4","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C9 H10 N2 -","- C9 H10 N2 -","- C36 H40 N8 -","4","1","SE0122","Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A.","Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures","Acta Crystallographica Section B","1994","50","3","363","373","10.1107/S0108768193008523","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101151","6.325","0.002","7.917","0.002","17.026","0.003","90","","90.95","0.02","90","","852.5","0.4","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C9 H10 N2 -","- C9 H10 N2 -","- C36 H40 N8 -","4","1","SE0122","Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A.","Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures","Acta Crystallographica Section B","1994","50","3","363","373","10.1107/S0108768193008523","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101152","7.737","0.002","7.737","0.002","16.594","0.003","90","","90","","90","","993.3","0.4","","","","","","","","","","","","3","P 43 21 2","P 41n 2abw","","","","","- C11 H14 N2 -","- C11 H14 N3 -","- C44 H56 N12 -","4","0.5","SE0122","Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A.","Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures","Acta Crystallographica Section B","1994","50","3","363","373","10.1107/S0108768193008523","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101153","7.482","0.002","7.99","0.002","15.322","0.002","90","","92.51","0.02","90","","915.1","0.4","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N2 -","- C10 H12 N2 -","- C40 H48 N8 -","4","1","SE0122","Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A.","Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures","Acta Crystallographica Section B","1994","50","3","363","373","10.1107/S0108768193008523","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101154","7.466","0.002","7.906","0.002","15.251","0.002","90","","92.37","0.02","90","","899.4","0.4","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N2 -","- C10 H12 N2 -","- C40 H48 N8 -","4","1","SE0122","Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A.","Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures","Acta Crystallographica Section B","1994","50","3","363","373","10.1107/S0108768193008523","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101155","7.467","0.002","7.862","0.002","15.218","0.002","90","","92.18","","90","","892.7","0.4","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N2 -","- C10 H12 N2 -","- C40 H48 N8 -","4","1","SE0122","Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A.","Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures","Acta Crystallographica Section B","1994","50","3","363","373","10.1107/S0108768193008523","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101156","7.467","0.002","7.842","0.002","15.203","0.002","90","","92.06","0.02","90","","889.7","0.3","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N2 -","- C10 H12 N2 -","- C40 H48 N8 -","4","1","SE0122","Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A.","Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures","Acta Crystallographica Section B","1994","50","3","363","373","10.1107/S0108768193008523","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101157","7.468","0.002","7.821","0.002","15.187","0.002","90","","91.02","0.02","90","","886.9","0.3","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N2 -","- C10 H12 N2 -","- C40 H48 N8 -","4","1","SE0122","Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A.","Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures","Acta Crystallographica Section B","1994","50","3","363","373","10.1107/S0108768193008523","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101158","17.1","0.002","22.385","0.002","8.747","0.002","90","","98.99","0.02","90","","3307.1","0.9","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","","","","","- C9 H10 N2 -","- C9 H10 N2 -","- C144 H160 N32 -","16","2","SE0122","Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A.","Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures","Acta Crystallographica Section B","1994","50","3","363","373","10.1107/S0108768193008523","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101159","7.6559","0.0008","6.4154","0.0006","4.2184","0.0004","90","","90","","90","","207.19","0.04","","","","","","","","","","","","2","C m c m","-C 2c 2","","","","","- Al5 Fe2 -","- Al10 Fe2 -","- Al20 Fe4 -","2","0.125","SE0133","Burkhardt, U.; Grin, Yu.; Ellner, M.; Peters, K.","Structure refinement of the iron‒aluminium phase with the approximate composition Fe~2~Al~5~","Acta Crystallographica Section B","1994","50","3","313","316","10.1107/S0108768193013989","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101160","20.839","0.002","20.839","0.002","5.014","0.001","90","","90","","120","","1885.7","0.5","","","","","","","","","","","","4","R -3 :H","-R 3","","","","","- Al9 O36 P8 Si -","- Al9 O36 P9 -","- Al18 O72 P18 -","2","0.111111","SH0036","Baur, W. H.; Joswig, W.; Kassner, D.; Kornatowski, J.; Finger, G.","Structure of SAPO-31 refined from single-crystal diffraction data: substitution of P by Si established by diffraction methods","Acta Crystallographica Section B","1994","50","3","290","294","10.1107/S0108768193012625","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101161","12.0762","0.0004","14.3621","0.0006","6.1829","0.0002","90","","90","","90","","1072.36","0.07","","","","","","","","","","","","5","P 21 21 2","P 2 2ab","","","","","- C4 H16 N Na O10 -","- C4 H16 N Na O10 -","- C16 H64 N4 Na4 O40 -","4","1","AB0318","Brożek, Z.; Mucha, D.; Stadnicka, K.","X-ray Rietveld structure determination of ammonium Rochelle salt at 120 (paraelectric phase) and 100 K (ferroelectric phase)","Acta Crystallographica Section B","1994","50","4","465","472","10.1107/S0108768194000479","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","206187","2020-10-21","18:00:00",""
"2101162","12.1252","0.0002","14.4144","0.0002","6.1989","0.0001","90","","91.0392","0.0001","90","","1083.25","0.03","","","","","","","","","","","","5","P 1 21 1 (a-1/4,b,c)","P 2yb (x+1/4,y,z)","4","","","","- C4 H16 N Na O10 -","- C4 H16 N Na O10 -","- C16 H64 N4 Na4 O40 -","4","","AB0318","Brożek, Z.; Mucha, D.; Stadnicka, K.","X-ray Rietveld structure determination of ammonium Rochelle salt at 120 (paraelectric phase) and 100 K (ferroelectric phase)","Acta Crystallographica Section B","1994","50","4","465","472","10.1107/S0108768194000479","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","283803","2023-05-16","08:05:53",""
"2101163","7.2358","0.0006","7.2358","0.0006","8.3104","0.0008","90","","90","","90","","435.11","0.07","","","","","","","","","","","","5","P 4/m","-P 4","","","","","- C16 H6 D12 N6 Ni2 -","- C16 H24 D12 N6 Ni2 -","- C16 H24 D12 N6 Ni2 -","1","0.125","AL0564","Büttner, H. G.; Kearley, G. J.; Howard, C. J.; Fillaux, F.","Structure of the Hofmann clathrates Ni(NH~3~)~2~Ni(CN)~4~.2C~6~D~6~ and Zn(NH~3~)~2~Ni(CN)~4~.2C~6~H~6~","Acta Crystallographica Section B","1994","50","4","431","435","10.1107/S0108768193013539","","neutron","1.884","Neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101164","7.2196","0.0003","7.2196","0.0003","8.1007","0.0005","90","","90","","90","","422.23","0.04","","","","","","","","","","","","5","P 4/m","-P 4","","","","","- C16 H6 D12 N6 Ni2 -","- C16 H24 D12 N6 Ni2 -","- C16 H24 D12 N6 Ni2 -","1","0.125","AL0564","Büttner, H. G.; Kearley, G. J.; Howard, C. J.; Fillaux, F.","Structure of the Hofmann clathrates Ni(NH~3~)~2~Ni(CN)~4~.2C~6~D~6~ and Zn(NH~3~)~2~Ni(CN)~4~.2C~6~H~6~","Acta Crystallographica Section B","1994","50","4","431","435","10.1107/S0108768193013539","","neutron","1.884","Neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101165","7.3294","0.0003","7.3294","0.0003","8.0722","0.0004","90","","90","","90","","433.64","0.03","","","","","","","","","","","","5","P 4/m","-P 4","","","","","- C16 H18 N6 Ni Zn -","- C16 H36 N6 Ni Zn -","- C16 H36 N6 Ni Zn -","1","0.125","AL0564","Büttner, H. G.; Kearley, G. J.; Howard, C. J.; Fillaux, F.","Structure of the Hofmann clathrates Ni(NH~3~)~2~Ni(CN)~4~.2C~6~D~6~ and Zn(NH~3~)~2~Ni(CN)~4~.2C~6~H~6~","Acta Crystallographica Section B","1994","50","4","431","435","10.1107/S0108768193013539","","neutron","1.884","Neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101166","6.253","0.001","8.228","0.001","12.856","0.001","90","","90","","90","","661.44","0.14","","","","","","","","","","","Synthetic","5","P 21 21 21","P 2ac 2ab","","","","Lecontite","- H8 N Na O6 S -","- H8 N Na O6 S -","- H32 N4 Na4 O24 S4 -","4","1","AL0574","Arzt, S.; Glazer, A. M.","The optical activity and absolute optical chirality of NaNH~4~SO~4~.2H~2~O","Acta Crystallographica Section B","1994","50","4","425","431","10.1107/S0108768193014569","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:08",""
"2101167","5.0355","0.0005","5.0355","0.0005","13.7471","0.0007","90","","90","","120","","301.88","0.07","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","","","","Hematite","- Fe2 O3 -","- Fe2 O3 -","- Fe12 O18 -","6","0.166667","AS0661","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.","Synchrotron X-ray study of the electron density in α-Fe~2~O~3~","Acta Crystallographica Section B","1994","50","4","435","441","10.1107/S0108768194002284","","","0.7","synchrotron","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:21",""
"2101168","5.0355","0.0005","5.0355","0.0005","13.7471","0.0007","90","","90","","120","","301.88","0.07","","","","","","","","","","","Synthetic","2","R -3 c :H","-R 3 2""c","","","","Hematite","- Fe2 O3 -","- Fe2 O3 -","- Fe12 O18 -","6","0.166667","AS0661","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.","Synchrotron X-ray study of the electron density in α-Fe~2~O~3~","Acta Crystallographica Section B","1994","50","4","435","441","10.1107/S0108768194002284","","","0.7","synchrotron","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:21",""
"2101169","5.0355","0.0005","5.0355","0.0005","13.7471","0.0007","90","","90","","120","","301.88","0.07","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","","","","","- Fe2 O3 -","- Fe2 O3 -","- Fe12 O18 -","6","0.166667","AS0661","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.","Synchrotron X-ray study of the electron density in α-Fe~2~O~3~","Acta Crystallographica Section B","1994","50","4","435","441","10.1107/S0108768194002284","","","0.7","synchrotron","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101170","37.46","0.04","9.645","0.01","34.86","0.04","90","","104.6","0.1","90","","12188","2","","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","","","","","- C53 H39.5 Au Cl0.5 F6 O8 Os3 P4 -","- C57 H40 Au Cl F6 O8 Os3 P4 -","- C456 H320 Au8 Cl8 F48 O64 Os24 P32 -","8","1","LI0165","Dodd, I. M.; Hao, Q.; Harding, M. M.; Prince, S. M.","Structure determination with Laue diffraction data ‒ including refinement when anomalous scatterers are present","Acta Crystallographica Section B","1994","50","4","441","447","10.1107/S0108768193014442","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101171","9.367","0.01","13.69","0.02","23.04","0.03","90","","90","","90","","2955","7","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C30 H32 O6 P2 Ru -","- C30 H32 O6 P2 Ru -","- C120 H128 O24 P8 Ru4 -","4","1","LI0165","Dodd, I. M.; Hao, Q.; Harding, M. M.; Prince, S. M.","Structure determination with Laue diffraction data ‒ including refinement when anomalous scatterers are present","Acta Crystallographica Section B","1994","50","4","441","447","10.1107/S0108768193014442","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101172","10.043","0.01","3.925","0.005","7.67","0.008","90","","107.28","0.1","90","","288.7","0.6","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C H6 N2 -","- C H6 N2 -","- C4 H24 N8 -","4","1","PA0291","Foulon, M.; Lebrun, N.; Muller, M.; Amazzal, A.; Cohen-Adad, M. T.","Structure of the stable phase of methylhydrazine ‒ first observations of phase transitions","Acta Crystallographica Section B","1994","50","4","472","479","10.1107/S0108768194001655","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101173","12.496","","12.845","","18.298","","90","","90","","90","","2937","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H18 Ba Ca2 O12 -","- C22 H23 Ba Ca2 O12 -","- C88 H92 Ba4 Ca8 O48 -","4","0.5","SE0115","Hofstätter, G.; Prandl, W.; Brückel, T.; Hiller, W.","X-ray and neutron investigation of the structure and disorder in dicalcium barium acrylate","Acta Crystallographica Section B","1994","50","4","448","455","10.1107/S0108768193011887","","","0.709","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101174","12.496","","12.845","","18.298","","90","","90","","90","","2937.03","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H18 Ba Ca2 O12 -","- C22 H23 Ba Ca2 O12 -","- C88 H92 Ba4 Ca8 O48 -","4","0.5","SE0115","Hofstätter, G.; Prandl, W.; Brückel, T.; Hiller, W.","X-ray and neutron investigation of the structure and disorder in dicalcium barium acrylate","Acta Crystallographica Section B","1994","50","4","448","455","10.1107/S0108768193011887","","neutron","0.834","neutron","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101175","5.1513","0.0008","5.1513","0.0008","13.8654","0.0008","90","","90","","120","","318.64","0.07","","","300","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00",""
"2101176","5.2542","0.0006","5.2542","0.0006","13.8759","0.0006","90","","90","","120","","331.75","","","","1200","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00",""
"2101177","5.2718","0.0008","5.2718","0.0008","13.8604","0.0009","90","","90","","120","","333.6","","","","1350","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00",""
"2101178","5.285","0.0008","5.285","0.0008","13.8488","0.0008","90","","90","","120","","334.99","","","","1450","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.166667","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00",""
"2101179","5.2898","0.0012","5.2898","0.0012","13.8485","0.0012","90","","90","","120","","335.59","","","","1480","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.166667","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00",""
"2101180","5.292","0.004","5.292","0.004","13.846","0.004","90","","90","","120","","335.81","","","","1505","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.166667","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00",""
"2101181","5.2542","0.0006","5.2542","0.0006","13.8759","0.0006","90","","90","","120","","331.75","","","","1200","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00",""
"2101182","5.2719","0.0008","5.2719","0.0008","13.8601","0.0008","90","","90","","120","","333.6","","","","1350","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00",""
"2101183","5.2849","0.0008","5.2849","0.0008","13.8481","0.0008","90","","90","","120","","334.96","","","","1450","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Li Nb O3 -","- Li2 Nb O3 -","- Li12 Nb6 O18 -","6","0.166667","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00",""
"2101184","5.2897","0.0012","5.2897","0.0012","13.8476","0.0012","90","","90","","120","","335.56","","","","1480","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Li Nb O3 -","- Li2 Nb O3 -","- Li12 Nb6 O18 -","6","0.166667","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00",""
"2101185","5.292","0.004","5.292","0.004","13.845","0.004","90","","90","","120","","335.79","","","","1505","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Li Nb O3 -","- Li2 Nb O3 -","- Li12 Nb6 O18 -","6","0.166667","SE0126","Boysen, H.; Altorfer, F.","A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~","Acta Crystallographica Section B","1994","50","4","405","414","10.1107/S0108768193012820","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","198788","2020-10-21","18:00:00",""
"2101186","17.963","0.004","6.29","0.002","18.214","0.004","90","","116.59","0.03","90","","1840.3","1","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H30 N2 O4 -","- C17 N2 O4 -","- C68 N8 O16 -","4","1","SE0135","Milius, W.; Steinlein, C.; Eisenbach, C. D.","Structure of <i>trans</i>,<i>trans</i>-4,4'-di(methoxycarbonylimino)dicyclohexylmethane: a model for <i>trans</i>,<i>trans</i>-4,4'-diisocyanatodicyclohexylmethane/1,4-butanediol-based units in polyurethane hard segments","Acta Crystallographica Section B","1994","50","4","455","458","10.1107/S0108768193013850","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101187","15.129","0.001","14.853","0.001","7.768","0.001","90","","90","","90","","1745.6","0.3","95","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","0.5","SE0138","Irngartinger, H.; Oeser, T.","Difference-density distribution of a prismane derivative","Acta Crystallographica Section B","1994","50","4","459","464","10.1107/S0108768194000169","","","0.7107","Mo","","","0.037","","","0.046","","","","","1.702","1.702","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101188","17.266","0.002","19.292","0.003","6.3739","0.0009","90","","90","","90","","2123.1","0.5","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C96 H132 N4 O16 -","4","1","BR0026","Jones, R.; Scheffer, J. R.; Trotter, J.; Yang, J.","Crystal structures, chiralities and photochemistry of two polymorphs of <small>L</small>-prolinolium α-adamantylacetophenone-<i>p</i>-carboxylate","Acta Crystallographica Section B","1994","50","5","601","607","10.1107/S0108768194002582","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101189","11.798","0.001","43.563","0.003","8.4434","0.0008","90","","90","","90","","4339.5","0.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C192 H264 N8 O32 -","8","2","BR0026","Jones, R.; Scheffer, J. R.; Trotter, J.; Yang, J.","Crystal structures, chiralities and photochemistry of two polymorphs of <small>L</small>-prolinolium α-adamantylacetophenone-<i>p</i>-carboxylate","Acta Crystallographica Section B","1994","50","5","601","607","10.1107/S0108768194002582","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101190","11.021","0.002","56.481","0.008","6.84","0.001","90","","90","","90","","4257.7","1.2","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C48 H68 N2 O9 -","- C48 H66 N2 O9 -","- C192 H264 N8 O36 -","4","1","BR0026","Jones, R.; Scheffer, J. R.; Trotter, J.; Yang, J.","Crystal structures, chiralities and photochemistry of two polymorphs of <small>L</small>-prolinolium α-adamantylacetophenone-<i>p</i>-carboxylate","Acta Crystallographica Section B","1994","50","5","601","607","10.1107/S0108768194002582","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101191","12.643","0.001","9.288","0.001","15.153","0.001","90","","105.7","0.01","90","","1713","0.3","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","BR0027","Jones, R.; Scheffer, J. R.; Trotter, J.; Yap, M.","Crystal structure and photochemistry of dimethyl 1,4-dihydro-1,4,5,8-tetramethyl-1,4-ethenonaphthalene-2,3-dicarboxylate","Acta Crystallographica Section B","1994","50","5","597","600","10.1107/S0108768194002594","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101192","7.325","0.001","14.781","0.001","15.535","0.001","90","","90","","90","","1682","0.3","","","","","","","","","","","","3","P c a 21","P 2c -2ac","","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","BR0027","Jones, R.; Scheffer, J. R.; Trotter, J.; Yap, M.","Crystal structure and photochemistry of dimethyl 1,4-dihydro-1,4,5,8-tetramethyl-1,4-ethenonaphthalene-2,3-dicarboxylate","Acta Crystallographica Section B","1994","50","5","597","600","10.1107/S0108768194002594","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101193","17.716","0.002","15.298","0.002","13.21","0.003","90","","90","","90","","3580.2","1","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C20 H22 O4 -","- C20 H28 O4 -","- C160 H224 O32 -","8","1","BR0027","Jones, R.; Scheffer, J. R.; Trotter, J.; Yap, M.","Crystal structure and photochemistry of dimethyl 1,4-dihydro-1,4,5,8-tetramethyl-1,4-ethenonaphthalene-2,3-dicarboxylate","Acta Crystallographica Section B","1994","50","5","597","600","10.1107/S0108768194002594","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101194","19.544","0.002","19.544","0.002","6.514","0.001","90","","90","","90","","2488.1","0.5","","","","","","","","","","","","4","","-P 4a 2b","","","","","- C64 H32 N16 Nd -","- C64 N16 Nd4 -","- C128 N32 Nd8 -","2","","CR0455","Darovsky, A.; Keserashvili, V.; Harlow, R.; Mutikainen, I.","Structure of oxidized forms of neodymium and praseodymium (bis)phthalocyanines","Acta Crystallographica Section B","1994","50","5","582","588","10.1107/S0108768194004192","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101195","20.066","0.007","20.066","0.007","6.463","0.002","90","","90","","90","","2602.3","1.5","","","","","","","","","","","","4","","-P 4a 2b","","","","","- C64 H32 N16 Pr -","- C64 N16 Pr4 -","- C128 N32 Pr8 -","2","","CR0455","Darovsky, A.; Keserashvili, V.; Harlow, R.; Mutikainen, I.","Structure of oxidized forms of neodymium and praseodymium (bis)phthalocyanines","Acta Crystallographica Section B","1994","50","5","582","588","10.1107/S0108768194004192","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101196","12.85","0.0008","6.4136","0.0003","10.5912","0.0007","90","","90","","90","","872.87","0.09","","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- K0.86 O5 P Rb0.14 Ti -","- K O5 P Ti -","- K8 O40 P8 Ti8 -","8","2","HA0130","Thomas, P. A.; Duhlev, R.; Teat, S. J.","A comparative structural study of a flux-grown crystal of K~0.86~Rb~0.14~TiOPO~4~ and an ion-exchanged crystal of K~0.84~Rb~0.16~TiOPO~4~","Acta Crystallographica Section B","1994","50","5","538","543","10.1107/S0108768194003150","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101197","12.858","0.003","6.4125","0.0007","10.592","0.001","90","","90","","90","","873.3","0.2","","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- K0.84 O5 P Rb0.16 Ti -","- K O5 P Rb0.5 Ti -","- K8 O40 P8 Rb4 Ti8 -","8","2","HA0130","Thomas, P. A.; Duhlev, R.; Teat, S. J.","A comparative structural study of a flux-grown crystal of K~0.86~Rb~0.14~TiOPO~4~ and an ion-exchanged crystal of K~0.84~Rb~0.16~TiOPO~4~","Acta Crystallographica Section B","1994","50","5","538","543","10.1107/S0108768194003150","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101198","13.6714","0.0001","13.824","0.0001","13.8939","0.0001","90","","90","","90","","2625.86","0.03","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- Cd Cs2 O12 Si5 -","- Cd Cs2 O12 Si5 -","- Cd8 Cs16 O96 Si40 -","8","1","LI0172","Bell, A. M. T.; Redfern, S. A. T.; Henderson, C. M. B.; Kohn, S. C.","Structural relations and tetrahedral ordering pattern of synthetic orthorhombic Cs~2~CdSi~5~O~12~ leucite: a combined synchrotron X-ray powder diffraction and multinuclear MAS NMR study","Acta Crystallographica Section B","1994","50","5","560","566","10.1107/S0108768194003393","","","0.1","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101199","15.431","0.005","15.83","0.005","3.951","0.002","90","","91.06","0.1","90","","965","0.7","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C6 H2 N3 O7 Tl -","- C6 H2 N3 O7 Tl -","- C24 H8 N12 O28 Tl4 -","4","1","MU0313","Botoshansky, M.; Herbstein, F. H.; Kapon, M.","Crystallography of metal picrates. II. Crystal structure of yellow thallium(I) picrate; relations among various M(I) picrate phases","Acta Crystallographica Section B","1994","50","5","589","596","10.1107/S0108768194001746","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101200","11.532","0.001","6.075","0.001","16.678","0.001","90","","99.04","0.01","90","","1153.9","0.2","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Li4 O4 Si -","- Li4 O4 Si -","- Li56 O56 Si14 -","14","3.5","NA0052","de Jong, B. H. W. S.; Ellerbroek, D.; Spek, A. L.","Low-temperature structure of lithium nesosilicate, Li~4~SiO~4~, and its Li~1<i>s~</i> and O~1<i>s~</i> X-ray photoelectron spectrum","Acta Crystallographica Section B","1994","50","5","511","518","10.1107/S0108768194002375","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","205956","2020-10-21","18:00:00",""
"2101201","11.1","0.003","7.96","0.002","21.744","0.004","90","","95.82","0.02","90","","1911.3","0.8","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C80 H72 N24 O16 -","8","1","NA0053","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intramolecular N‒H^{···^}O hydrogen bonding assisted by resonance. III. Structural studies of 1-ketone-2-arylhydrazone derivatives","Acta Crystallographica Section B","1994","50","5","617","625","10.1107/S0108768194003034","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101202","7.046","0.002","7.774","0.001","20.917","0.004","90","","98.09","0.02","90","","1134.3","0.4","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C10 H8 N4 O4 -","- C10 H8 N4 O4 -","- C40 H32 N16 O16 -","4","1","NA0053","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intramolecular N‒H^{···^}O hydrogen bonding assisted by resonance. III. Structural studies of 1-ketone-2-arylhydrazone derivatives","Acta Crystallographica Section B","1994","50","5","617","625","10.1107/S0108768194003034","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101203","18.324","0.002","5.771","0.001","20.016","0.002","90","","90","","90","","2116.6","0.5","","","","","","","","","","","","5","P c a 21","P 2c -2ac","","","","","- C10 H8 Cl N3 O2 -","- C10 H8 Cl N3 O2 -","- C80 H64 Cl8 N24 O16 -","8","2","NA0053","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intramolecular N‒H^{···^}O hydrogen bonding assisted by resonance. III. Structural studies of 1-ketone-2-arylhydrazone derivatives","Acta Crystallographica Section B","1994","50","5","617","625","10.1107/S0108768194003034","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101204","12.817","0.001","7.595","0.005","15.652","0.003","90","","95.74","0.01","90","","1516","1","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N5 O3 -","- C16 H13 N5 O3 -","- C64 H52 N20 O12 -","4","1","NA0053","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intramolecular N–H^{···^}O hydrogen bonding assisted by resonance. III. Structural studies of 1-ketone-2-arylhydrazone derivatives","Acta Crystallographica Section B","1994","50","5","617","625","10.1107/S0108768194003034","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101205","12.217","0.002","16.543","0.003","5.9206","0.0001","90","","102.57","0.01","90","","1167.9","0.3","","","","","","","","","","","","6","I 1 m 1","I -2y","","","","","- C6 H12 Cl2 Na2 O12 U -","- C12 H12 Cl4 Na2 O16 U -","- C24 H24 Cl8 Na4 O32 U2 -","2","0.5","SE0140","Spengler, R.; Zimmermann, H.; Burzlaff, H.; Jansen, J.; Peschar, R.; Schenk, H.","<i>Ab initio</i> structure determination from powder data using direct methods","Acta Crystallographica Section B","1994","50","5","578","582","10.1107/S010876819400306X","","","","","","","","","","","","","","","","","","","","","has coordinates","189249","2020-10-21","18:00:00",""
"2101206","7.057","0.001","14.317","0.001","16.047","0.002","90","","90","","90","","1621.3","0.3","250","","250","","","","","","","","","3","P 21 a b","P -2b 2a","29","","6-acetyl-2-ethyl-1,1,3,3,5-pentamethylindan","","- C18 H26 O -","- C18 H26 O -","- C72 H104 O4 -","4","1","SH0044","De Ridder, Dirk J.A.^3^; Čapková, Pavla^4^; Hatjisymeon, Kostas^5^; Fraanje, Jan; Schenk, Henk","Crystal studies of musk compounds. VIII. Structures of five homologues of musk phantolid","Acta Crystallographica Section B","1994","50","5","607","616","10.1107/S0108768194001497","","","1.5418","CuKα","","0.085","0.085","","0.118","0.118","","","","0.352","0.352","0.352","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101207","8.232","0.004","9.641","0.001","18.141","0.003","78.29","0.01","82.93","0.02","89.7","0.03","1398.8","0.7","243","","243","","","","","","","","","3","P -1","-P 1","2","","6-formyl-1,1,2,3,3,5-hexamethylindan","","- C16 H22 O -","- C16 H22.5 O1.5 -","- C64 H90 O6 -","4","2","SH0044","De Ridder, Dirk J.A.^3^; Čapková, Pavla^4^; Hatjisymeon, Kostas^5^; Fraanje, Jan; Schenk, Henk","Crystal studies of musk compounds. VIII. Structures of five homologues of musk phantolid","Acta Crystallographica Section B","1994","50","5","607","616","10.1107/S0108768194001497","","","1.5418","CuKα","","0.09","0.09","","0.113","0.113","","","","0.248","0.248","0.248","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101208","8.232","0.002","11.277","0.001","15.448","0.003","90","","105.15","0.02","90","","1384.2","0.5","188","","188","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","5-acetyl-1,1,2,3,3-pentamethylindan","","- C16 H22 O -","- C16 H22 O -","- C64 H88 O4 -","4","1","SH0044","De Ridder, Dirk J.A.^3^; Čapková, Pavla^4^; Hatjisymeon, Kostas^5^; Fraanje, Jan; Schenk, Henk","Crystal studies of musk compounds. VIII. Structures of five homologues of musk phantolid","Acta Crystallographica Section B","1994","50","5","607","616","10.1107/S0108768194001497","","","1.5418","CuKα","","0.056","0.056","","0.072","0.072","","","","0.203","0.203","0.203","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101209","7.476","0.008","13.093","0.002","14.492","0.002","90","","90","","90","","1418.5","1.5","298","","298","","","","","","","","","3","P 21 c n","P -2n 2a","33","","5-acetyl-1,1,2,3,6-pentamethylindan","","- C16 H22 O -","- C5.33333 H7.33333 O0.333333 -","- C64 H88 O4 -","12","3","SH0044","De Ridder, Dirk J.A.^3^; Čapková, Pavla^4^; Hatjisymeon, Kostas^5^; Fraanje, Jan; Schenk, Henk","Crystal studies of musk compounds. VIII. Structures of five homologues of musk phantolid","Acta Crystallographica Section B","1994","50","5","607","616","10.1107/S0108768194001497","","","1.5418","CuKα","","0.071","0.071","","0.089","0.089","","","","0.198","0.198","0.198","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101210","11.674","0.001","11.298","0.001","32.89","0.005","90","","94.91","0.02","90","","4322","0.9","253","","253","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-acetyl-1,1,3,3,6-pentymethylindan","","- C16 H22 O -","- C16 H22 O -","- C192 H264 O12 -","12","3","SH0044","De Ridder, Dirk J.A.^3^; Čapková, Pavla^4^; Hatjisymeon, Kostas^5^; Fraanje, Jan; Schenk, Henk","Crystal studies of musk compounds. VIII. Structures of five homologues of musk phantolid","Acta Crystallographica Section B","1994","50","5","607","616","10.1107/S0108768194001497","","","1.5418","CuKα","","0.083","0.083","","0.109","0.109","","","","0.343","0.343","0.343","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101211","11.036","0.01","7.288","0.008","9.841","0.009","90","","98.81","0.05","90","","782.18","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","","","","","- Cu6 Sn5 -","- Cu6 Sn5 -","- Cu24 Sn20 -","4","0.5","AB0319","Larsson, A.-K.; Stenberg, L.; Lidin, S.","The superstructure of domain-twinned η'-Cu~6~Sn~5~","Acta Crystallographica Section B","1994","50","6","636","643","10.1107/S0108768194004052","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101212","11.036","0.01","7.288","0.008","9.841","0.009","90","","98.81","0.05","90","","782.18","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","","","","","- Cu6 Sn5 -","- Cu6 Sn5 -","- Cu24 Sn20 -","4","0.5","AB0319","Larsson, A.-K.; Stenberg, L.; Lidin, S.","The superstructure of domain-twinned η'-Cu~6~Sn~5~","Acta Crystallographica Section B","1994","50","6","636","643","10.1107/S0108768194004052","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101213","8.5016","0.001","8.2803","0.0011","27.447","0.003","90","","96.478","0.009","90","","1919.8","0.4","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Cl N2 O3 S2 -","- C19 H22 Cl2 N2 O3 S2 -","- C76 H88 Cl8 N8 O12 S8 -","4","1","AB0324","Marthi, K.; Larsen, S.; Ács, M.; Bálint, J.; Fogassy, E.","Structures with identical packing; racemic and partially optically pure 3-(2'-chloro-2'-phenylethyl)-2-thiazolidiniminium <i>p</i>-toluenesulfonate and a comparison of the packing in corresponding racemic and optically active compounds","Acta Crystallographica Section B","1994","50","6","762","771","10.1107/S0108768194004647","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101214","8.533","0.003","8.2238","0.0009","27.477","0.012","90","","96.13","0.03","90","","1917.1","1.1","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H21 Cl N2 O3 S2 -","- C18 H20.5 Cl1.5 N2 O3 S2 -","- C72 H82 Cl6 N8 O12 S8 -","4","2","AB0324","Marthi, K.; Larsen, S.; Ács, M.; Bálint, J.; Fogassy, E.","Structures with identical packing; racemic and partially optically pure 3-(2'-chloro-2'-phenylethyl)-2-thiazolidiniminium <i>p</i>-toluenesulfonate and a comparison of the packing in corresponding racemic and optically active compounds","Acta Crystallographica Section B","1994","50","6","762","771","10.1107/S0108768194004647","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101215","8.583","0.003","8.19","0.003","27.479","0.006","90","","95.7","0.02","90","","1922.1","1.1","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H21 Cl N2 O3 S2 -","- C18 H20.5 Cl1.5 N2 O3 S2 -","- C72 H82 Cl6 N8 O12 S8 -","4","2","AB0324","Marthi, K.; Larsen, S.; Ács, M.; Bálint, J.; Fogassy, E.","Structures with identical packing; racemic and partially optically pure 3-(2'-chloro-2'-phenylethyl)-2-thiazolidiniminium <i>p</i>-toluenesulfonate and a comparison of the packing in corresponding racemic and optically active compounds","Acta Crystallographica Section B","1994","50","6","762","771","10.1107/S0108768194004647","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101216","5.5743","0.0004","5.5743","0.0004","7.5053","0.0006","90","","90","","90","","233.21","0.03","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","","","","","- B Ba Cu La O5 -","- B0.25 Ba0.25 Cu0.25 La0.25 O1.25 -","- B2 Ba2 Cu2 La2 O10 -","8","1","AB0325","Norrestam, R.; Kritikos, M.; Sjödin, A.","On the structure and properties of the layered lanthanide (Ln) barium copper oxyborates, LnBaCuO~2~BO~3~","Acta Crystallographica Section B","1994","50","6","631","636","10.1107/S0108768194003873","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101217","11.074","0.005","9.152","0.003","14.66","0.004","90","","90","","90","","1485.8","0.9","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C6 H6 N2 O2 S -","- C6 H6 N2 O2 S -","- C48 H48 N16 O16 S8 -","8","1","AN0501","Chertanova, L.; Pascard, C.; Sheremetev, A.","X-ray investigation of glyoxime derivatives. V. Two isomers of 2-(thienyl)glyoxime. A database study of the geometry and hydrogen bonding of the oxime group","Acta Crystallographica Section B","1994","50","6","708","716","10.1107/S0108768194004179","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101218","12.189","0.003","3.865","0.003","16.022","0.005","90","","90.79","0.02","90","","754.7","0.7","","","","","","","","","","","","5","P 1 2/c 1","-P 2yc","","","","","- C6 H6 N2 O2 S -","- C6 H6 N2 O2 S -","- C24 H24 N8 O8 S4 -","4","1","AN0501","Chertanova, L.; Pascard, C.; Sheremetev, A.","X-ray investigation of glyoxime derivatives. V. Two isomers of 2-(thienyl)glyoxime. A database study of the geometry and hydrogen bonding of the oxime group","Acta Crystallographica Section B","1994","50","6","708","716","10.1107/S0108768194004179","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101219","8.71","0.001","5.0885","0.0007","9.815","0.001","90","","95.07","0.01","90","","433.31","0.09","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","BK0004","Gao, Q.; Weber, H.-P.; Craven, B. M.; McMullan, R. K.","Structure of suberic acid at 18.4, 75 and 123 K from neutron diffraction data","Acta Crystallographica Section B","1994","50","6","695","703","10.1107/S0108768194003599","","neutron","1.0499","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101220","8.742","0.002","5.0841","0.0009","9.85","0.002","90","","95.43","0.02","90","","435.82","0.15","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","BK0004","Gao, Q.; Weber, H.-P.; Craven, B. M.; McMullan, R. K.","Structure of suberic acid at 18.4, 75 and 123 K from neutron diffraction data","Acta Crystallographica Section B","1994","50","6","695","703","10.1107/S0108768194003599","","neutron","1.0499","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101221","8.784","0.002","5.0721","0.0009","9.889","0.002","90","","95.95","0.02","90","","438.21","0.16","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","BK0004","Gao, Q.; Weber, H.-P.; Craven, B. M.; McMullan, R. K.","Structure of suberic acid at 18.4, 75 and 123 K from neutron diffraction data","Acta Crystallographica Section B","1994","50","6","695","703","10.1107/S0108768194003599","","neutron","1.0499","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101222","7.022","0.001","7.597","0.001","15.812","0.002","90","","90.88","0.01","90","","843.4","0.2","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C9 H10 N2 -","- C9 H10 N2 -","- C36 H40 N8 -","4","1","GR0328","Jameson, G. B.; Sheikh-Ali, B. M.; Weiss, R. G.","Dimethylaminobenzonitrile: structure of the lower-temperature solid phase. Comparison with the structure of the higher-temperature phase and correlation with optical spectroscopic properties","Acta Crystallographica Section B","1994","50","6","703","707","10.1107/S0108768194002600","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101223","6.312","0.002","7.933","0.003","17.216","0.005","90","","91.58","0.02","90","","861.7","0.5","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C9 H10 N2 -","- C9 H10 N2 -","- C36 H40 N8 -","4","1","GR0328","Jameson, G. B.; Sheikh-Ali, B. M.; Weiss, R. G.","Dimethylaminobenzonitrile: structure of the lower-temperature solid phase. Comparison with the structure of the higher-temperature phase and correlation with optical spectroscopic properties","Acta Crystallographica Section B","1994","50","6","703","707","10.1107/S0108768194002600","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101224","9.165","0.001","10.149","0.004","12.623","0.001","87.43","0.02","88.07","0.01","71","0.02","1108.8","0.5","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 N4 O11 S2 -","- C16 H26 N4 O11 S2 -","- C32 H52 N8 O22 S4 -","2","1","GR0362","Ojala, W. H.; Lu, L. K.; Albers, K. E.; Gleason, W. B.; Richardson, T. I.; Lovrien, R. E.; Sudbeck, E. A.","Intermolecular interactions of sulfonated azo dyes: crystal structures of the diammonium, dilithium, magnesium and calcium salts of 7-hydroxy-8-(phenylazo)-1,3-naphthalenedisulfonic acid(Orange G)","Acta Crystallographica Section B","1994","50","6","684","694","10.1107/S0108768194005203","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","203902","2020-10-21","18:00:00",""
"2101225","9.589","0.001","10.495","0.001","14.208","0.002","99.61","0.01","100.58","0.01","115.81","0.01","1215.1","0.3","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H26 Li2 N2 O15 S2 -","- C16 H26 Li2 N2 O15 S2 -","- C32 H52 Li4 N4 O30 S4 -","2","1","GR0362","Ojala, W. H.; Lu, L. K.; Albers, K. E.; Gleason, W. B.; Richardson, T. I.; Lovrien, R. E.; Sudbeck, E. A.","Intermolecular interactions of sulfonated azo dyes: crystal structures of the diammonium, dilithium, magnesium and calcium salts of 7-hydroxy-8-(phenylazo)-1,3-naphthalenedisulfonic acid(Orange G)","Acta Crystallographica Section B","1994","50","6","684","694","10.1107/S0108768194005203","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","203902","2020-10-21","18:00:00",""
"2101226","8.844","0.001","10.179","0.001","13.901","0.001","79.18","0.01","79.49","0.01","79.49","0.01","1194.2","0.2","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H26 Mg N2 O15 S2 -","- C16 H26 Mg N2 O15 S2 -","- C32 H52 Mg2 N4 O30 S4 -","2","1","GR0362","Ojala, W. H.; Lu, L. K.; Albers, K. E.; Gleason, W. B.; Richardson, T. I.; Lovrien, R. E.; Sudbeck, E. A.","Intermolecular interactions of sulfonated azo dyes: crystal structures of the diammonium, dilithium, magnesium and calcium salts of 7-hydroxy-8-(phenylazo)-1,3-naphthalenedisulfonic acid(Orange G)","Acta Crystallographica Section B","1994","50","6","684","694","10.1107/S0108768194005203","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","203902","2020-10-21","18:00:00",""
"2101227","9.395","0.004","27.492","0.009","10.368","0.002","90","","111.62","0.03","90","","2489.5","1.5","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Ca N2 O16 S2 -","- C16 H28 Ca N2 O16 S2 -","- C64 H112 Ca4 N8 O64 S8 -","4","1","GR0362","Ojala, W. H.; Lu, L. K.; Albers, K. E.; Gleason, W. B.; Richardson, T. I.; Lovrien, R. E.; Sudbeck, E. A.","Intermolecular interactions of sulfonated azo dyes: crystal structures of the diammonium, dilithium, magnesium and calcium salts of 7-hydroxy-8-(phenylazo)-1,3-naphthalenedisulfonic acid(Orange G)","Acta Crystallographica Section B","1994","50","6","684","694","10.1107/S0108768194005203","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","203902","2020-10-21","18:00:00",""
"2101228","13.13","0.002","6.581","0.001","10.781","0.001","90","","90","","90","","931.6","0.2","","","","","","","","","","","","4","P n a 21","P 2c -2n","","","","","- As K O5 Ti -","- As K O5 Ti -","- As8 K8 O40 Ti8 -","8","2","HA0133","Mayo, S. C.; Thomas, P. A.; Teat, S. J.; Loiacono, G. M.; Loiacono, D. N.","Structure and non-linear optical properties of KTiOAsO~4~","Acta Crystallographica Section B","1994","50","6","655","662","10.1107/S0108768194006300","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101229","9.8831","0.0007","9.6688","0.0007","8.3417","0.0004","81.139","0.004","100.076","0.004","105.966","0.006","749.81","0.09","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C3 H3 N3 O2 -","- C3 H4 N3 O2 -","- C18 H24 N18 O12 -","6","3","HE0089","Llamas-Saiz, A. L.; Foces-Foces, C.; Cano, F. H.; Jiménez, P.; Laynez, J.; Meutermans, W.; Elguero, J.; Limbach, H.-H.; Aguilar-Parrilla, F.","The influence of the nitro group on the solid-state structure of 4-nitropyrazoles: the cases of pyrazole, 3,5-dimethylpyrazole, 3,5-di-<i>tert</i>-butylpyrazole and 3,5-diphenylpyrazole. I. Static aspects (crystallography and thermodynamics)","Acta Crystallographica Section B","1994","50","6","746","762","10.1107/S0108768194004180","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101230","10.6407","0.0004","9.618","0.0004","12.6649","0.0005","90","","107.962","0.003","90","","1232.98","0.09","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C11 H19 N3 O2 -","- C11 H19 N3 O2 -","- C44 H76 N12 O8 -","4","1","HE0089","Llamas-Saiz, A. L.; Foces-Foces, C.; Cano, F. H.; Jiménez, P.; Laynez, J.; Meutermans, W.; Elguero, J.; Limbach, H.-H.; Aguilar-Parrilla, F.","The influence of the nitro group on the solid-state structure of 4-nitropyrazoles: the cases of pyrazole, 3,5-dimethylpyrazole, 3,5-di-<i>tert</i>-butylpyrazole and 3,5-diphenylpyrazole. I. Static aspects (crystallography and thermodynamics)","Acta Crystallographica Section B","1994","50","6","746","762","10.1107/S0108768194004180","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101231","18.1399","0.0016","12.0814","0.0009","11.5184","0.0007","90","","99.339","0.007","90","","2490.9","0.3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C15 H11 N3 O2 -","- C15.5 H11.5 N4.5 O3 -","- C124 H92 N36 O24 -","8","2","HE0089","Llamas-Saiz, A. L.; Foces-Foces, C.; Cano, F. H.; Jiménez, P.; Laynez, J.; Meutermans, W.; Elguero, J.; Limbach, H.-H.; Aguilar-Parrilla, F.","The influence of the nitro group on the solid-state structure of 4-nitropyrazoles: the cases of pyrazole, 3,5-dimethylpyrazole, 3,5-di-<i>tert</i>-butylpyrazole and 3,5-diphenylpyrazole. I. Static aspects (crystallography and thermodynamics)","Acta Crystallographica Section B","1994","50","6","746","762","10.1107/S0108768194004180","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101232","23.725","0.001","23.725","0.001","7.935","0.001","90","","90","","120","","3868","0.5","","","","","","","","","","","","3","P 6","P 6","","","","","- C21 H39 O18 -","- C31 H67 O26 -","- C186 H402 O156 -","6","1","LI0167","Le Bas, G.; Mason, S. A.","Neutron diffraction structure of α-cyclodextrin cyclopentanone hydrate at 20 K: host‒guest interactive disorder","Acta Crystallographica Section B","1994","50","6","717","724","10.1107/S0108768194003976","","neutron","1.3177","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101233","13.82","0.02","6.419","0.003","5.29","0.03","90","","101.04","0.02","90","","461","3","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","aurichalcite","- C2 H6 Cu O12 Zn3 -","- C2 Cu5 O12 -","- C4 Cu10 O24 -","2","0.5","MU0314","Harding, M. M.; Kariuki, B. M.; Cernik, R.; Cressey, G.","The structure of aurichalcite, (Cu,Zn)~5~(OH)~6~(CO~3~)~2~, determined from a microcrystal","Acta Crystallographica Section B","1994","50","6","673","676","10.1107/S0108768194007470","","","0.886","synchrotron","","","","","","","","","","","","","","","","","has coordinates","188413","2020-10-21","18:00:00",""
"2101234","5.14335","","5.14335","","5.14335","","90","","90","","90","","136.062","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","","","","","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","0.0208333","OH0040","Yashima, M.; Sasaki, S.; Kakihana, M.; Yamaguchi, Y.; Arashi, H.; Yoshimura, M.","Oxygen-induced structural change of the tetragonal phase around the tetragonal‒cubic phase boundary in ZrO~2~‒YO~1.5~ solid solutions","Acta Crystallographica Section B","1994","50","6","663","672","10.1107/S0108768194006257","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101235","6.4835","0.0002","6.4835","0.0002","6.8217","0.0005","90","","90","","90","","286.76","","","","","","","","","","","","","2","P 4/m","-P 4","","","","","- Nb Te4 -","- Nb0.25 Te0.5 -","- Nb2 Te4 -","8","1","SE0142","Kusz, J.; Böhm, H.","The low-temperature structure of NbTe~4~","Acta Crystallographica Section B","1994","50","6","649","655","10.1107/S0108768194005161","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101236","6.4835","0.0002","6.4835","0.0002","6.8217","0.0005","90","","90","","90","","286.76","","","","","","","","","","","","","2","P 4/m c c","-P 4 2c","","","","","- Nb Te4 -","- Nb0.25 Te -","- Nb2 Te8 -","8","0.5","SE0142","Kusz, J.; Böhm, H.","The low-temperature structure of NbTe~4~","Acta Crystallographica Section B","1994","50","6","649","655","10.1107/S0108768194005161","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101237","6.4835","0.0002","6.4835","0.0002","6.8217","0.0005","90","","90","","90","","286.76","","","","","","","","","","","","","2","P 4","P 4","","","","","- Nb Te4 -","- Nb3 Te12 -","- Nb24 Te96 -","8","2","SE0142","Kusz, J.; Böhm, H.","The low-temperature structure of NbTe~4~","Acta Crystallographica Section B","1994","50","6","649","655","10.1107/S0108768194005161","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101238","9.6789","0.0009","15.6129","0.0015","9.5209","0.0012","90","","90","","90","","1438.8","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C56 H72 N8 O16 -","4","1","SH0045","De Ridder, D. J. A.; Schenk, H.","Crystal studies of musk compounds. XI. Molecular structures of musk moskene and two homologues","Acta Crystallographica Section B","1994","50","6","724","730","10.1107/S0108768194006877","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101239","8.623","0.001","10.6","0.01","15.366","0.002","90","","94.49","0.01","90","","1400.2","1.3","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","SH0045","De Ridder, D. J. A.; Schenk, H.","Crystal studies of musk compounds. XI. Molecular structures of musk moskene and two homologues","Acta Crystallographica Section B","1994","50","6","724","730","10.1107/S0108768194006877","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101240","8.364","0.002","11.668","0.001","15.996","0.002","90","","100.17","0.02","90","","1536.5","0.4","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 O4 -","- C15 H20 N2 O4 -","- C60 H80 N8 O16 -","4","1","SH0045","De Ridder, D. J. A.; Schenk, H.","Crystal studies of musk compounds. XI. Molecular structures of musk moskene and two homologues","Acta Crystallographica Section B","1994","50","6","724","730","10.1107/S0108768194006877","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101241","8.695","0.001","10.448","0.001","16.31","0.002","90","","90.09","0.01","90","","1481.7","0.3","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","SH0046","De Ridder, D. J. A.; Fraanje, J.; Goubitz, K.; Schenk, H.","Crystal studies of musk compounds. XII. Molecular structures of three nitrotetralin-related compounds","Acta Crystallographica Section B","1994","50","6","730","737","10.1107/S0108768194006889","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101242","8.2352","0.0014","13.0225","0.0007","15.4669","0.0013","99.856","0.008","94.886","0.01","97.018","0.009","1612.4","0.3","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N2 O4 -","- C16 H22 N2 O4 -","- C64 H88 N8 O16 -","4","2","SH0046","De Ridder, D. J. A.; Fraanje, J.; Goubitz, K.; Schenk, H.","Crystal studies of musk compounds. XII. Molecular structures of three nitrotetralin-related compounds","Acta Crystallographica Section B","1994","50","6","730","737","10.1107/S0108768194006889","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101243","8.7422","0.0003","10.2027","0.0005","10.4811","0.0009","94.637","0.005","110.063","0.005","110.765","0.004","798.97","0.1","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N2 O4 -","- C16 H22 N2 O4 -","- C32 H44 N4 O8 -","2","1","SH0046","De Ridder, D. J. A.; Fraanje, J.; Goubitz, K.; Schenk, H.","Crystal studies of musk compounds. XII. Molecular structures of three nitrotetralin-related compounds","Acta Crystallographica Section B","1994","50","6","730","737","10.1107/S0108768194006889","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101244","12.412","0.004","13.766","0.005","13.855","0.005","110.63","0.03","106.86","0.03","106.94","0.03","1904.6","1.5","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H36 F3 P0.5 -","- C60 H36 F3 P0.5 -","- C120 H72 F6 P -","2","1","SH0048","Kuhs, W. F.; Mattern, G.; Brütting, W.; Dragan, H.; Burggraf, M.; Pilawa, B.; Dormann, E.","Electrocrystallization, crystal structure and physical properties of hexaperylene hexafluorophosphate, (C~20~H~12~)~6~^.+^.PF~6~^{-^}","Acta Crystallographica Section B","1994","50","6","741","746","10.1107/S0108768194004027","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:33",""
"2101245","12.151","0.002","12.09","0.004","24.836","0.004","90","","90.31","0.01","90","","3648.5","1.5","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C160 H176 N16 O24 -","8","2","ST1087","Crano, J.; Knowles, D.; Kwiatkowski, P.; Flood, T.; Ross, R.; Chiang, L.; Lasch, J.; Chadha, R.; Siuzdak, G.","Structure of three novel photochromic compounds; X-ray crystallographic and theoretical studies","Acta Crystallographica Section B","1994","50","6","772","779","10.1107/S0108768194005938","","","1.54178","CuKα","","","0.063","","","0.0794","","","","","2.43","2.43","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101246","8.025","0.002","12.415","0.003","19.319","0.004","90","","99.31","0.02","90","","1899.4","0.8","173","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","ST1087","Crano, J.; Knowles, D.; Kwiatkowski, P.; Flood, T.; Ross, R.; Chiang, L.; Lasch, J.; Chadha, R.; Siuzdak, G.","Structure of three novel photochromic compounds; X-ray crystallographic and theoretical studies","Acta Crystallographica Section B","1994","50","6","772","779","10.1107/S0108768194005938","","","1.54178","CuKα","","","0.0486","","","0.0749","","","","","1.56","1.56","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101247","11.484","0.003","13.832","0.002","11.511","0.001","90","","98.9","0.01","90","","1806.5","0.6","173","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C20 H21 F N2 O3 -","- C20 H21 F N2 O3 -","- C80 H84 F4 N8 O12 -","4","1","ST1087","Crano, J.; Knowles, D.; Kwiatkowski, P.; Flood, T.; Ross, R.; Chiang, L.; Lasch, J.; Chadha, R.; Siuzdak, G.","Structure of three novel photochromic compounds; X-ray crystallographic and theoretical studies","Acta Crystallographica Section B","1994","50","6","772","779","10.1107/S0108768194005938","","","1.54178","CuKα","","","0.0468","","","0.0732","","","","","1.74","1.74","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106083","7.6559","","6.4154","","4.2184","","90","","90","","90","","207.19","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Al5.6 Fe2 -","- Al5.6 Fe2 -","- Al11.2 Fe4 -","2","0.125","","Burkhardt, U.; Grin', Yu.; Ellner, M.; Peters, K.","Structure refinement of the iron-aluminium phase with the approxinate composition Fe2 Al5","Acta Crystallographica B (39,1983-)","1994","50","","313","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107329","20.813","","6.175","","6.161","","90","","90.42","","90","","791.792","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Al9 Fe2 Si2 -","- Al8.998 Fe2 Si2.002 -","- Al35.992 Fe8 Si8.008 -","4","0.5","","Romming, C.; Hansen, V.; Gjonnes, J.","Crystal structure of beta-Al4.5 Fe Si","Acta Crystallographica B (39,1983-)","1994","50","","307","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"9017321","13.138","","6.582","","10.787","","90","","90","","90","","932.798","","","","","","","","","","","","Synthetic","4","P n a 21","P 2c -2n","33","","","Katiarsite","- As K O5 Ti -","- As K O5 Ti -","- As8 K8 O40 Ti8 -","8","2","","Mayo, S. C.; Thomas, P. A.; Teat, S. J.; Loiacono, G. M.; Loiacono, D. N.","Structure and non-linear optical properties of KTiOAsO4","Acta Crystallographica, Section B","1994","50","","655","662","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""