# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T15:10:37+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica Section B') AND volume = 49 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
"1001543","11.129","0.001","10","0.001","9.218","0.001","90","","90","","90","","1025.9","","","","","","","","","","","","","3","C 2 c b","C -2ac 2","41","","Lanthanum molybdenum oxide (1/8/14)","","- La0.988 Mo8.024 O14 -","- La0.9875 Mo8.024 O14 -","- La3.95 Mo32.096 O56 -","4","","","Leligny, H.; Labbe, P.; Ledesert, M.; Hervieu, M.; Raveau, B.; McCarroll, W. H.","The modulated structure of LaMo~8~O~14~","Acta Crystallographica B (39,1983-)","1993","49","3","444","454","10.1107/S0108768192010413","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","188424","2020-10-21","18:00:00",""
"1001768","3.589","0.008","3.589","0.008","4.911","0.014","90","","90","","120","","54.8","","","","","","","","","","","","synthetic by slow diffusion","3","P -3 m 1","-P 3 2""","164","","Calcium hydroxide","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C","Hydrogen thermal motion in calcium hydroxide: Ca (O H)2","Acta Crystallographica B (39,1983-)","1993","49","","812","817","","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001769","3.589","0.008","3.589","0.008","4.911","0.014","90","","90","","120","","54.8","","","","","","","","","","","","synthetic by slow diffusion","3","P -3 m 1","-P 3 2""","164","","Calcium hydroxide","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C","Hydrogen thermal motion in calcium hydroxide: Ca (O H)2","Acta Crystallographica B (39,1983-)","1993","49","","812","817","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001787","3.589","0.008","3.589","0.008","4.911","0.014","90","","90","","120","","54.8","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Calcium hydroxide","Portlandite","- Ca H2 O2 -","- Ca H1.998 O2 -","- Ca H1.998 O2 -","1","0.0833333","","Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C","Hydrogen thermal motion in calcium hydroxide: Ca (O H)2","Acta Crystallographica B (39,1983-)","1993","49","","812","817","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001788","3.589","0.008","3.589","0.008","4.911","0.014","90","","90","","120","","54.8","","","","","","","","","","","","synthetic by slow diffusion","3","P -3 m 1","-P 3 2""","164","","Calcium hydroxide","Portlandite","- Ca H2 O2 -","- Ca H1.998 O2 -","- Ca H1.998 O2 -","1","0.0833333","","Desgranges, L; Grebille, D; Calvarin, g; Chevrier, G; Floquet, N; Niepce, J-C","Hydrogen thermal motion in calcium hydroxide: Ca (O H)2","Acta Crystallographica B (39,1983-)","1993","49","","812","817","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100874","13.666","0.001","5.413","0.002","18.298","0.001","90","","108.55","0.01","90","","1283.3","0.5","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","AB0280","Maurin, J. K.; Winnicka-Maurin, M.; Paul, I. C.; Curtin, D. Y.","Hydrogen-bonded complex formation of oximes with carboxylic acids and with amides. (<i>E</i>)-Acetophenone oxime‒benzoic acid (1/1) and (<i>E</i>)-benzaldehyde oxime‒benzamide (1/1)","Acta Crystallographica Section B","1993","49","1","90","96","10.1107/S0108768192006190","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2100875","5.283","0.002","10.478","0.005","22.893","0.007","90","","99.73","0.06","90","","1249","0.9","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","AB0280","Maurin, J. K.; Winnicka-Maurin, M.; Paul, I. C.; Curtin, D. Y.","Hydrogen-bonded complex formation of oximes with carboxylic acids and with amides. (<i>E</i>)-Acetophenone oxime–benzoic acid (1/1) and (<i>E</i>)-benzaldehyde oxime–benzamide (1/1)","Acta Crystallographica Section B","1993","49","1","90","96","10.1107/S0108768192006190","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2100876","12.188","0.002","5.662","0.002","7.132","0.002","90","","90","","90","","492.2","0.2","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Cu O5 Y2 -","- Ba Cu O5 Y2 -","- Ba4 Cu4 O20 Y8 -","4","0.5","AS0602","Buttner, R. H.; Maslen, E. N.","Structural parameters and electron difference density in Y~2~BaCuO~5~","Acta Crystallographica Section B","1993","49","1","62","66","10.1107/S0108768192007936","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2100877","61.896","0.008","11.424","0.001","8.134","0.001","90","","90","","90","","5751.6","1.1","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C53 H64 N8 O22 -","- C53 H64 N8 O22 -","- C212 H256 N32 O88 -","4","1","AS0605","Ebitani, M.; In, Y.; Ishida, T.; Sakaguchi, K.-i.; Flippen-Anderson, J. L.; Karle, I. L.","Structures of riboflavin tetraacetate and tetrabutyrate: molecular packing mode of riboflavin tetracarboxylate and its extensive stacking and hydrogen-bonding characteristics","Acta Crystallographica Section B","1993","49","1","136","144","10.1107/S0108768192007195","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2100878","19.409","0.002","15.332","0.002","11.784","0.001","95.51","0.01","92.17","0.01","83.59","0.01","3467.3","0.7","","","","","","","","","","","","4","P 1","P 1","1","","","","- C33 H44 N4 O10 -","- C33 N4 O10 -","- C132 N16 O40 -","4","4","AS0605","Ebitani, M.; In, Y.; Ishida, T.; Sakaguchi, K.-i.; Flippen-Anderson, J. L.; Karle, I. L.","Structures of riboflavin tetraacetate and tetrabutyrate: molecular packing mode of riboflavin tetracarboxylate and its extensive stacking and hydrogen-bonding characteristics","Acta Crystallographica Section B","1993","49","1","136","144","10.1107/S0108768192007195","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2100879","5.644","0.001","12.094","0.003","22.548","0.004","90","","90","","90","","1539.1","0.5","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C15 H22 N2 O4 -","- C15 H22 N2 O4 -","- C60 H88 N8 O16 -","4","1","CD0063","Krause, J. A.; Baures, P. W.; Eggleston, D. S.","Molecular structures of <small>L</small>-Leu-<small>L</small>-Tyr, Gly-<small>D</small>,<small>L</small>-Met.<i>p</i>-toluenesulfonate and <small>L</small>-His-<small>L</small>-Leu","Acta Crystallographica Section B","1993","49","1","123","130","10.1107/S0108768192006207","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100880","33.642","0.004","15.951","0.001","6.785","0.001","90","","90","","90","","3641","0.7","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C14 H22 N2 O6 S2 -","- C15 H22 N2 O8 S2 -","- C120 H176 N16 O64 S16 -","8","1","CD0063","Krause, J. A.; Baures, P. W.; Eggleston, D. S.","Molecular structures of <small>L</small>-Leu-<small>L</small>-Tyr, Gly-<small>D</small>,<small>L</small>-Met.<i>p</i>-toluenesulfonate and <small>L</small>-His-<small>L</small>-Leu","Acta Crystallographica Section B","1993","49","1","123","130","10.1107/S0108768192006207","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100881","6.559","0.001","5.451","0.001","20.463","0.002","90","","99","0.01","90","","722.61","0.19","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H20 N4 O3 -","- C12 H20 N4 O3 -","- C24 H40 N8 O6 -","2","1","CD0063","Krause, J. A.; Baures, P. W.; Eggleston, D. S.","Molecular structures of <small>L</small>-Leu-<small>L</small>-Tyr, Gly-<small>D</small>,<small>L</small>-Met.<i>p</i>-toluenesulfonate and <small>L</small>-His-<small>L</small>-Leu","Acta Crystallographica Section B","1993","49","1","123","130","10.1107/S0108768192006207","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2100882","13.858","0.003","5.499","0.003","15.076","0.004","90","","132.2","0.2","90","","851","3","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C4 H12 Cu N2 O6 -","- C4 H12 Cu N2 O6 -","- C16 H48 Cu4 N8 O24 -","4","0.5","HA0096","Prout, K.; Mtetwa, V. S. B.; Rossotti, F. J. C.","Structure and stability of carboxylate complexes. XIX. The structures of diamminebis(glycolato)copper(II), tetraamminebis(ethoxyacetato)copper(II), bis(glycolato)bis(pyridine)copper(II) and bis(ethoxyacetato)bis(pyridine)copper(II)","Acta Crystallographica Section B","1993","49","1","73","79","10.1107/S010876819200661X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100883","5.055","0.003","7.012","0.002","11.768","0.002","80.32","0.01","79.92","0.02","73.77","0.04","391.2","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H26 Cu N4 O6 -","- C8 H20 Cu N4 O6 -","- C8 H20 Cu N4 O6 -","1","0.5","HA0096","Prout, K.; Mtetwa, V. S. B.; Rossotti, F. J. C.","Structure and stability of carboxylate complexes. XIX. The structures of diamminebis(glycolato)copper(II), tetraamminebis(ethoxyacetato)copper(II), bis(glycolato)bis(pyridine)copper(II) and bis(ethoxyacetato)bis(pyridine)copper(II)","Acta Crystallographica Section B","1993","49","1","73","79","10.1107/S010876819200661X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100884","22.383","0.006","5.755","0.003","17.629","0.004","90","","137.86","0.04","90","","1523.6","1.5","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C14 H16 Cu N2 O6 -","- C14 H14 Cu N2 O6 -","- C56 H56 Cu4 N8 O24 -","4","0.5","HA0096","Prout, K.; Mtetwa, V. S. B.; Rossotti, F. J. C.","Structure and stability of carboxylate complexes. XIX. The structures of diamminebis(glycolato)copper(II), tetraamminebis(ethoxyacetato)copper(II), bis(glycolato)bis(pyridine)copper(II) and bis(ethoxyacetato)bis(pyridine)copper(II)","Acta Crystallographica Section B","1993","49","1","73","79","10.1107/S010876819200661X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100885","9.579","0.005","14.22","0.01","13.904","0.003","90","","99.19","0.02","90","","1869.6","1.7","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C18 H24 Cu N2 O6 -","- C18 H24 Cu N2 O6 -","- C72 H96 Cu4 N8 O24 -","4","0.5","HA0096","Prout, K.; Mtetwa, V. S. B.; Rossotti, F. J. C.","Structure and stability of carboxylate complexes. XIX. The structures of diamminebis(glycolato)copper(II), tetraamminebis(ethoxyacetato)copper(II), bis(glycolato)bis(pyridine)copper(II) and bis(ethoxyacetato)bis(pyridine)copper(II)","Acta Crystallographica Section B","1993","49","1","73","79","10.1107/S010876819200661X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100886","14.233","0.002","9.271","0.001","11.804","0.002","90","","114.53","0.01","90","","1417","0.4","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H36 O10 -","- C28 H36 O10 -","- C56 H72 O20 -","2","1","HE1000","Ciunik, Z.; Jarosz, S.","Structure of precursors of higher-carbon sugars","Acta Crystallographica Section B","1993","49","1","101","107","10.1107/S0108768192005391","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2100887","8.912","0.001","10.154","0.002","32.704","0.005","90","","90","","90","","2959.5","0.8","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C28 H40 O12 -","- C28 H40 O12 -","- C112 H160 O48 -","4","1","HE1000","Ciunik, Z.; Jarosz, S.","Structure of precursors of higher-carbon sugars","Acta Crystallographica Section B","1993","49","1","101","107","10.1107/S0108768192005391","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100888","8.695","0.001","13.633","0.001","8.273","0.001","98.51","0.01","113.34","0.01","80.97","0.01","885.27","0.18","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O4 -","- C22 O6 -","- C44 O12 -","2","1","HH0614","Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.","Crystal structure correlations in the photochemistry of dimethyl 9,10-dimethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section B","1993","49","1","107","116","10.1107/S0108768192006682","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100889","9.124","0.002","14.392","0.002","14.328","0.001","90","","94.3","0.01","90","","1876.2","0.5","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 O4 -","- C22 O6 -","- C88 O24 -","4","1","HH0614","Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.","Crystal structure correlations in the photochemistry of dimethyl 9,10-dimethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section B","1993","49","1","107","116","10.1107/S0108768192006682","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2100890","21.994","0.004","11.963","0.001","19.02","0.006","90","","131.43","0.01","90","","3752.1","1.5","","","","","","","","","","","","3","C 1 2/c 1","","","","","","- C22 H20 O4 -","- C22 O4 -","- C176 O32 -","8","1","HH0614","Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.","Crystal structure correlations in the photochemistry of dimethyl 9,10-dimethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section B","1993","49","1","107","116","10.1107/S0108768192006682","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100891","12.2","0.001","14.89","0.001","5.185","0.001","93.54","0.01","102.21","0.01","80.61","0.01","907.9","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N5 O -","- C20 N5 O -","- C40 N10 O2 -","2","1","HH0624","Arjunan, P.; Arora, S. K.; Chalody, W.","Structural studies on DNA-binding drugs: crystal structure and molecular dynamics studies of triazoloacridinones","Acta Crystallographica Section B","1993","49","1","96","101","10.1107/S0108768192006517","","","1.5417","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100892","15.823","0.002","5.79","0.001","16.856","0.002","90","","98.59","0.01","90","","1526.9","0.4","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N5 O2 -","- C17 N5 O2 -","- C68 N20 O8 -","4","1","HH0624","Arjunan, P.; Arora, S. K.; Chalody, W.","Structural studies on DNA-binding drugs: crystal structure and molecular dynamics studies of triazoloacridinones","Acta Crystallographica Section B","1993","49","1","96","101","10.1107/S0108768192006517","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2100893","5.597","0.003","8.185","0.004","14.389","0.006","90","","90.51","0.02","90","","659.2","0.6","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O4 -","- C20 N2 O4 -","- C40 N4 O8 -","2","0.5","HL1009","Koh, L.-L.; Lam, Y.; Sim, K. Y.; Huang, H. H.","Structures of <i>meso</i>- and (±)-1,2-dinitro-1,2-diphenylethane and 2,3-dinitro-2,3-diphenylbutane","Acta Crystallographica Section B","1993","49","1","116","123","10.1107/S0108768192007328","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2100894","18.26","0.005","9.888","0.003","17.66","0.004","90","","119.4","0.02","90","","2778","1.4","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","1","HL1009","Koh, L.-L.; Lam, Y.; Sim, K. Y.; Huang, H. H.","Structures of <i>meso</i>- and (±)-1,2-dinitro-1,2-diphenylethane and 2,3-dinitro-2,3-diphenylbutane","Acta Crystallographica Section B","1993","49","1","116","123","10.1107/S0108768192007328","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","199519","2020-10-21","18:00:00",""
"2100895","7.763","0.002","18.406","0.003","10.24","0.002","90","","90.1","0.02","90","","1463.1","0.5","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O4 -","- C16 N2 O4 -","- C64 N8 O16 -","4","1","HL1009","Koh, L.-L.; Lam, Y.; Sim, K. Y.; Huang, H. H.","Structures of <i>meso</i>- and (±)-1,2-dinitro-1,2-diphenylethane and 2,3-dinitro-2,3-diphenylbutane","Acta Crystallographica Section B","1993","49","1","116","123","10.1107/S0108768192007328","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2100896","17.928","0.005","8.713","0.002","12.366","0.004","90","","129.14","0.02","90","","1498.2","0.8","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C16 H16 N2 O4 -","- C16 N2 O4 -","- C64 N8 O16 -","4","0.5","HL1009","Koh, L.-L.; Lam, Y.; Sim, K. Y.; Huang, H. H.","Structures of <i>meso</i>- and (±)-1,2-dinitro-1,2-diphenylethane and 2,3-dinitro-2,3-diphenylbutane","Acta Crystallographica Section B","1993","49","1","116","123","10.1107/S0108768192007328","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100897","19.962","0.009","4.634","0.002","7.611","0.003","90","","90","","102.76","0.03","686.7","0.5","","","","","","","","","","","","4","B 1 1 2","B 2","5","","","","- H O4 Rb Se -","- H1.66667 O4 Rb Se -","- H10 O24 Rb6 Se6 -","6","1.5","SH0005","Makarova, I. P.","Thermal vibrations of atoms and phase transition in RbHSeO~4~ and NH~4~HSeO~4~ single crystals","Acta Crystallographica Section B","1993","49","1","11","18","10.1107/S010876819200613X","","neutron","1.1674","Neutron","","","","","","","","","","","","","","","","","has coordinates","278197","2022-09-26","22:45:59",""
"2100898","10.622","0.004","4.622","0.001","7.575","0.003","89.35","0.03","110.84","0.03","102.13","0.03","339","0.2","","","","","","","","","","","","4","P 1","P 1","","","","","- H O4 Rb Se -","- H0.666667 O2 Rb0.666667 Se0.666667 -","- H2 O6 Rb2 Se2 -","3","3","SH0005","Makarova, I. P.","Thermal vibrations of atoms and phase transition in RbHSeO~4~ and NH~4~HSeO~4~ single crystals","Acta Crystallographica Section B","1993","49","1","11","18","10.1107/S010876819200613X","","neutron","1.1674","Neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100899","19.852","0.008","4.622","0.001","7.575","0.003","90.64","0.03","90.04","0.03","102.75","0.03","677.9","0.4","","","","","","","","","","","","4","B 1","B 1","1","","","","- H O4 Rb Se -","- H O4 Rb Se -","- H6 O24 Rb6 Se6 -","6","","SH0005","Makarova, I. P.","Thermal vibrations of atoms and phase transition in RbHSeO~4~ and NH~4~HSeO~4~ single crystals","Acta Crystallographica Section B","1993","49","1","11","18","10.1107/S010876819200613X","","neutron","1.1674","Neutron","","","","","","","","","","","","","","","","","has coordinates","214486","2020-10-21","18:00:00",""
"2100900","19.863","0.013","4.62","0.003","7.593","0.007","90","","90","","102.59","0.05","680","0.9","","","","","","","","","","","","4","B 1 1 2","B 2","5","","","","- H5 N O4 Se -","- H5.66667 N O4 Se -","- H34 N6 O24 Se6 -","6","1.5","SH0005","Makarova, I. P.","Thermal vibrations of atoms and phase transition in RbHSeO~4~ and NH~4~HSeO~4~ single crystals","Acta Crystallographica Section B","1993","49","1","11","18","10.1107/S010876819200613X","","neutron","1.1674","Neutron","","","","","","","","","","","","","","","","","has coordinates","278197","2022-09-26","22:45:59",""
"2100901","19.754","0.008","4.607","0.001","7.55","0.002","90","","90","","102.59","0.03","670.6","0.4","","","","","","","","","","","","4","B 1 1 2","B 2","5","","","","- H5 N O4 Se -","- H5.66667 N O4 Se -","- H34 N6 O24 Se6 -","6","1.5","SH0005","Makarova, I. P.","Thermal vibrations of atoms and phase transition in RbHSeO~4~ and NH~4~HSeO~4~ single crystals","Acta Crystallographica Section B","1993","49","1","11","18","10.1107/S010876819200613X","","neutron","1.1674","Neutron","","","","","","","","","","","","","","","","","has coordinates","278197","2022-09-26","22:45:59",""
"2100902","5.4021","0.0009","5.4021","0.0009","9.175","0.001","90","","90","","120","","231.88","0.06","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","","","","","- Cr Li O4 Rb -","- Cr Li O4 Rb -","- Cr2 Li2 O8 Rb2 -","2","0.333333","SH0006","Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S.","Structure and twinning of RbLiCrO~4~ crystals","Acta Crystallographica Section B","1993","49","1","19","28","10.1107/S0108768192006141","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100903","5.423","0.001","5.423","0.001","9.161","0.001","90","","90","","120","","233.32","0.07","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","","","","","- Cr Li O4 Rb -","- Cr Li O4 Rb -","- Cr2 Li2 O8 Rb2 -","2","0.333333","SH0006","Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S.","Structure and twinning of RbLiCrO~4~ crystals","Acta Crystallographica Section B","1993","49","1","19","28","10.1107/S0108768192006141","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100904","5.438","0.001","5.438","0.001","9.16","0.002","90","","90","","120","","234.59","0.08","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","","","","","- Cr Li O4 Rb -","- Cr Li O4 Rb -","- Cr2 Li2 O8 Rb2 -","2","0.333333","SH0006","Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S.","Structure and twinning of RbLiCrO~4~ crystals","Acta Crystallographica Section B","1993","49","1","19","28","10.1107/S0108768192006141","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100905","5.453","0.001","5.453","0.001","9.151","0.001","90","","90","","120","","235.65","0.07","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","","","","","- Cr Li O4 Rb -","- Cr Li O4 Rb -","- Cr2 Li2 O8 Rb2 -","2","0.333333","SH0006","Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S.","Structure and twinning of RbLiCrO~4~ crystals","Acta Crystallographica Section B","1993","49","1","19","28","10.1107/S0108768192006141","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100906","5.463","0.001","5.463","0.001","9.147","0.002","90","","90","","120","","236.41","0.08","","","","","","","","","","","","4","P 63","P 6c","","","","","- Cr Li O4 Rb -","- Cr Li O4 Rb -","- Cr2 Li2 O8 Rb2 -","2","0.333333","SH0006","Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S.","Structure and twinning of RbLiCrO~4~ crystals","Acta Crystallographica Section B","1993","49","1","19","28","10.1107/S0108768192006141","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100907","5.471","0.001","5.471","0.001","9.14","0.004","90","","90","","120","","236.92","0.12","","","","","","","","","","","","4","P 63","P 6c","","","","","- Cr Li O4 Rb -","- Cr Li O4 Rb -","- Cr2 Li2 O8 Rb2 -","2","0.333333","SH0006","Makarova, I. P.; Verin, I. A.; Aleksandrov, K. S.","Structure and twinning of RbLiCrO~4~ crystals","Acta Crystallographica Section B","1993","49","1","19","28","10.1107/S0108768192006141","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100908","8.322","0.004","6.801","0.002","12.885","0.003","90","","91.74","0.03","90","","728.9","0.4","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","1","AB0285","Larsen, S.; de Diego, H. L.","A study of two polymorphic modifications of (<i>S</i>)-1-phenylethylammonium (<i>S</i>)-mandelate and the structural features of diastereomeric mandelate salts","Acta Crystallographica Section B","1993","49","2","303","309","10.1107/S0108768192007377","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2100909","11.2478","0.001","7.088","0.0006","14.684","0.002","90","","99.068","0.007","90","","1156","0.2","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H30 N2 O4 -","- C27 H30 N2 O4 -","- C54 H60 N4 O8 -","2","1","AB0286","Larsen, S.; de Diego, H. L.; Kozma, D.","Optical resolution through diastereomeric salt formation: the crystal structures of cinchoninium (<i>R</i>)-mandelate and cinchoninium (<i>S</i>)-mandelate at low temperature","Acta Crystallographica Section B","1993","49","2","310","316","10.1107/S0108768192008371","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2100910","12.078","0.004","17.423","0.002","22.136","0.004","90","","90","","90","","4658.2","1.8","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C27 H30 N2 O4 -","- C27 H28.5 N2 O4 -","- C216 H228 N16 O32 -","8","2","AB0286","Larsen, S.; de Diego, H. L.; Kozma, D.","Optical resolution through diastereomeric salt formation: the crystal structures of cinchoninium (<i>R</i>)-mandelate and cinchoninium (<i>S</i>)-mandelate at low temperature","Acta Crystallographica Section B","1993","49","2","310","316","10.1107/S0108768192008371","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","190627","2020-10-21","18:00:00",""
"2100911","10.006","0.005","7.252","0.004","24.122","0.012","90","","98.96","0.04","90","","1729","1.6","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- Co D12 O10 S -","- Co D12 O10 S -","- Co8 D96 O80 S8 -","8","1","AB0287","Kellersohn, T.; Delaplane, R. G.; Olovsson, I.; McIntyre, G. J.","The experimental electron density in monoclinic cobalt sulfate hexahydrate, CoSO~4~.6D~2~O, at 25 K","Acta Crystallographica Section B","1993","49","2","179","192","10.1107/S0108768192008991","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100912","6.607","0.001","8.2157","0.0008","9.287","0.001","105.52","0.01","93.88","0.01","91.79","0.01","483.98","0.1","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H14 N4 O -","- C9 H14 N4 O -","- C18 H28 N8 O2 -","2","1","AB0288","Kooijman, H.; Kanters, J. A.; Kroon, J.; Kelder, J.","Structure and conformation of the muscarinic agonists 3-(3-amino-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octane and 1,2,5,6-tetrahydro-1-methyl-3-pyridinecarboxaldehyde oxime and related tertiary amine, quaternary ammonium and sulfonium analogues","Acta Crystallographica Section B","1993","49","2","356","366","10.1107/S0108768192008383","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100913","6.843","0.003","6.997","0.003","9.837","0.004","89.72","0.03","87.78","0.04","75.69","0.04","456","0.3","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H13 Cl N2 O -","- C7 H13 Cl N2 O -","- C14 H26 Cl2 N4 O2 -","2","1","AB0288","Kooijman, H.; Kanters, J. A.; Kroon, J.; Kelder, J.","Structure and conformation of the muscarinic agonists 3-(3-amino-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octane and 1,2,5,6-tetrahydro-1-methyl-3-pyridinecarboxaldehyde oxime and related tertiary amine, quaternary ammonium and sulfonium analogues","Acta Crystallographica Section B","1993","49","2","356","366","10.1107/S0108768192008383","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100914","5.254","0.001","17.48","0.001","10.23","0.001","90","","119.6","0.06","90","","816.9","0.5","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C7 H12 N O4 -","- C7 H12 N O4 -","- C28 H48 N4 O16 -","4","1","AL0543","Prasad, G. S.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XXV. Structures of <small>DL</small>-proline hemisuccinic acid and glycyl-<small>L</small>-histidinium semisuccinate monohydrate and a comparative study of amino-acid and peptide complexes of succinic acid","Acta Crystallographica Section B","1993","49","2","348","356","10.1107/S0108768192008504","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100915","4.864","0.001","17.071","0.002","9.397","0.001","90","","90.58","","90","","780.2","0.2","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H20 N4 O8 -","- C12 H20 N4 O8 -","- C24 H40 N8 O16 -","2","1","AL0543","Prasad, G. S.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XXV. Structures of <small>DL</small>-proline hemisuccinic acid and glycyl-<small>L</small>-histidinium semisuccinate monohydrate and a comparative study of amino-acid and peptide complexes of succinic acid","Acta Crystallographica Section B","1993","49","2","348","356","10.1107/S0108768192008504","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2100916","10.332","0.004","6.01","0.005","4.692","0.002","90","","90","","90","","291.4","0.1","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.5","AS0589","Streltsov, V. A.; Belokoneva, E. L.; Tsirelson, V. G.; Hansen, N. K.","Multipole analysis of the electron density in triphylite, LiFePO~4~, using X-ray diffraction data","Acta Crystallographica Section B","1993","49","2","147","153","10.1107/S0108768192004701","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2100917","12.883","0.002","13.355","0.002","11.706","0.003","90","","90","","90","","2014","0.7","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C15 H29 Co N6 O5 -","- C15 H29 Co N6 O5 -","- C60 H116 Co4 N24 O20 -","4","1","AS0610","Takenaka, Y.; Ohashi, Y.; Tamura, T.; Uchida, A.; Sasada, Y.; Ohgo, Y.; Baba, S.","Crystalline-state racemization of a chiral cyanoethyl group connected by a hydrogen bond","Acta Crystallographica Section B","1993","49","2","272","277","10.1107/S0108768192007948","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100918","13.177","0.002","13.12","0.002","11.694","0.002","90","","90","","90","","2021.7","0.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C15 H29 Co N6 O5 -","- C18 H31 Co N7 O5 -","- C72 H124 Co4 N28 O20 -","4","1","AS0610","Takenaka, Y.; Ohashi, Y.; Tamura, T.; Uchida, A.; Sasada, Y.; Ohgo, Y.; Baba, S.","Crystalline-state racemization of a chiral cyanoethyl group connected by a hydrogen bond","Acta Crystallographica Section B","1993","49","2","272","277","10.1107/S0108768192007948","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100919","7.917","0.005","11.131","0.007","11.664","0.007","65.71","0.03","86.86","0.03","73.28","0.03","894.9","1","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H18 Cl7 Cu3 N -","- C7 H18 Cl7 Cu3 N -","- C14 H36 Cl14 Cu6 N2 -","2","1","CD0089","Weise, S.; Willett, R. D.","Crystal structure of [(C~2~H~5~)~3~NCH~3~]Cu~3~Cl~7~: a new structural variant of the CuCl~2~ structure","Acta Crystallographica Section B","1993","49","2","283","289","10.1107/S0108768192009224","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100920","5.362","0.001","24.558","0.003","11.793","0.001","90","","96.42","0.01","90","","1543.2","0.4","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O6 -","- C17 H17 N O6 -","- C68 H68 N4 O24 -","4","1","CR0420","Pinkerton, A. A.; Gallacher, A. C.; Radil, M.; Kunze, A.; Allemann, S.; Vogel, P.","Structures of four <i>N</i>-benzoylaziridine and aziridinium <i>p</i>-toluenesulfonate derivatives grafted onto 7-oxabicyclo[2.2.1]heptane skeletons","Acta Crystallographica Section B","1993","49","2","328","334","10.1107/S010876819200795X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2100921","14.16","0.004","5.514","0.001","23.792","0.007","90","","100.16","0.02","90","","1828.5","0.8","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O8 S -","- C17 H21 N O8 S -","- C68 H84 N4 O32 S4 -","4","1","CR0420","Pinkerton, A. A.; Gallacher, A. C.; Radil, M.; Kunze, A.; Allemann, S.; Vogel, P.","Structures of four <i>N</i>-benzoylaziridine and aziridinium <i>p</i>-toluenesulfonate derivatives grafted onto 7-oxabicyclo[2.2.1]heptane skeletons","Acta Crystallographica Section B","1993","49","2","328","334","10.1107/S010876819200795X","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2100922","21.501","0.006","5.476","0.002","15.858","0.002","90","","90.68","0.02","90","","1867","0.9","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N O8 S -","- C17 H21 N O8 S -","- C68 H84 N4 O32 S4 -","4","1","CR0420","Pinkerton, A. A.; Gallacher, A. C.; Radil, M.; Kunze, A.; Allemann, S.; Vogel, P.","Structures of four <i>N</i>-benzoylaziridine and aziridinium <i>p</i>-toluenesulfonate derivatives grafted onto 7-oxabicyclo[2.2.1]heptane skeletons","Acta Crystallographica Section B","1993","49","2","328","334","10.1107/S010876819200795X","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2100923","5.654","0.001","8.088","0.003","16.223","0.007","103.78","0.03","90.35","0.03","98.29","0.02","712.4","0.4","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C32 H28 N4 O8 -","2","1","CR0420","Pinkerton, A. A.; Gallacher, A. C.; Radil, M.; Kunze, A.; Allemann, S.; Vogel, P.","Structures of four <i>N</i>-benzoylaziridine and aziridinium <i>p</i>-toluenesulfonate derivatives grafted onto 7-oxabicyclo[2.2.1]heptane skeletons","Acta Crystallographica Section B","1993","49","2","328","334","10.1107/S010876819200795X","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2100924","4.938","0.001","4.938","0.001","36.907","0.008","90","","90","","90","","899.9","0.3","","","","","","","","","","","","4","P 43","P 43","","","","","- C6 H14 N2 O6 -","- C6 H14 N2 O6 -","- C24 H56 N8 O24 -","4","1","CR0432","André, C.; Luger, P.; Fuhrhop, J.-H.; Rosengarten, B.","Molecular recognition in polyols: the structure of <small>L</small>-mannonic acid hydrazide revealing a common packing motif in different acyclic sugars","Acta Crystallographica Section B","1993","49","2","375","382","10.1107/S0108768192010978","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100925","9.4019","0.0009","5.4746","0.0003","4.4259","0.0002","90","","90","","90","","227.81","0.03","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Al2 Be O4 -","- Al2 Be O4 -","- Al8 Be4 O16 -","4","0.5","CR0439","Pilati, T.; Demartin, F.; Cariati, F.; Bruni, S.; Gramaccioli, C. M.","Atomic thermal parameters and thermodynamic functions for chrysoberyl (BeAl~2~O~4~) from vibrational spectra and transfer of empirical force fields","Acta Crystallographica Section B","1993","49","2","216","222","10.1107/S0108768192011601","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2100926","5.275","0.001","9.044","0.001","18.328","0.002","90","","90","","90","","874.4","0.2","","","","","","","","","","","","2","F d d d {origin @ 2 2 2}","F 2 2 -1d","","","","","- Cu Mg2 -","- Cu2 Mg4 -","- Cu32 Mg64 -","16","","DU0325","Gingl, F.; Selvam, P.; Yvon, K.","Structure refinement of Mg~2~Cu and a comparison of the Mg~2~Cu, Mg~2~Ni and Al~2~Cu structure types","Acta Crystallographica Section B","1993","49","2","201","203","10.1107/S0108768192008723","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100927","8.455","0.002","12.648","0.002","14.65","0.003","90","","90","","90","","1566.7","0.5","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","HH0625","Wijayaratne, T.; Collins, N.; Li, Y.; Bruck, M. A.; Polt, R.","β-Alkoxy Schiff base‒oxazolidine tautomerism: solid-state structure of <i>N</i>-diphenylmethylene-<small>L</small>-threonine methyl ester","Acta Crystallographica Section B","1993","49","2","316","320","10.1107/S0108768192007778","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100928","13.451","0.008","7.007","0.004","17.864","0.012","90","","117.26","0.04","90","","1496.7","1.7","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","HU0417","Clark, G. R.; Robinson, K.; Denny, W. A.; Lee, H. H.","Structures of quinone imine metabolites related to the anti-cancer drug amsacrine","Acta Crystallographica Section B","1993","49","2","342","347","10.1107/S0108768192009169","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100929","9.365","0.001","13.318","0.002","6.918","0.003","96.45","0.03","105.3","0.02","110.11","0.01","761.6","0.4","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C40 H28 N4 O4 -","2","1","HU0417","Clark, G. R.; Robinson, K.; Denny, W. A.; Lee, H. H.","Structures of quinone imine metabolites related to the anti-cancer drug amsacrine","Acta Crystallographica Section B","1993","49","2","342","347","10.1107/S0108768192009169","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100930","8.091","0.007","10.078","0.002","11.716","0.003","108.39","0.02","99.63","0.04","95.87","0.03","881.4","0.8","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C44 H38 N6 O4 -","2","1","HU0417","Clark, G. R.; Robinson, K.; Denny, W. A.; Lee, H. H.","Structures of quinone imine metabolites related to the anti-cancer drug amsacrine","Acta Crystallographica Section B","1993","49","2","342","347","10.1107/S0108768192009169","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100931","7.185","0.002","10.85","0.006","9.6","0.004","90","","105.8","0.04","90","","720.1","0.6","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C30 H36 N4 O6 -","2","1","LI0138","Kojić-Prodić, B.; Nigović, B.; Puntarec, V.; Tomić, S.; Magnus, V.","Structural comparison of biologically active and inactive conjugates of α-amino acids and the plant growth hormone (auxin) indole-3-acetic acid","Acta Crystallographica Section B","1993","49","2","367","374","10.1107/S0108768192010115","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2100932","11.134","0.007","7.689","0.002","15.548","0.01","90","","95.62","0.03","90","","1324.7","1.2","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","LI0138","Kojić-Prodić, B.; Nigović, B.; Puntarec, V.; Tomić, S.; Magnus, V.","Structural comparison of biologically active and inactive conjugates of α-amino acids and the plant growth hormone (auxin) indole-3-acetic acid","Acta Crystallographica Section B","1993","49","2","367","374","10.1107/S0108768192010115","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100933","11.347","0.002","11.162","0.002","6.668","0.002","90","","90","","90","","844.5","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C5 H11 N3 O6 -","- C5 H11 N3 O6 -","- C20 H44 N12 O24 -","4","1","PA0280","Zyss, J.; Pecaut, J.; Levy, J. P.; Masse, R.","Synthesis and crystal structure of guanidinium <small>L</small>-monohydrogentartrate: encapsulation of an optically nonlinear octupolar cation","Acta Crystallographica Section B","1993","49","2","334","342","10.1107/S0108768192008395","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100934","22.454","0.006","15.129","0.002","5.189","0.002","90","","90","","90","","1762.7","0.9","","","","","","","","","","","","5","P 21 n b","","","","","","- C10 H12 Cr2 N6 O11 -","- C10 H12 Cr2 N6 O11 -","- C40 H48 Cr8 N24 O44 -","4","1","PA0281","Pecaut, J.; Masse, R.","Structure of bis(2-amino-5-nitropyridinium) dichromate as a step towards the design of efficient organic‒inorganic non-linear optical crystals","Acta Crystallographica Section B","1993","49","2","277","282","10.1107/S0108768192008553","","","0.55941","Ag","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100935","12.573","0.005","19.183","0.004","14.985","0.004","90","","110.14","0.02","90","","3393.2","1.8","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- Cl5 N O P2 -","- Cl5 N O P2 -","- Cl80 N16 O16 P32 -","16","4","SE0101","Belaj, F.","Structure of <i>N</i>-(dichlorophosphinoyl)phosphorimidic trichloride, Cl~3~PNP(O)Cl~2~, at 100 K","Acta Crystallographica Section B","1993","49","2","254","258","10.1107/S0108768192009406","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100936","7.8417","0.0006","7.8417","0.0006","5.0249","0.0003","90","","90","","90","","308.99","0.04","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca4 Co2 O14 Si4 -","2","0.25","ST0589","Hagiya, K.; Ohmasa, M.; Iishi, K.","The modulated structure of synthetic Co-åkermanite, Ca~2~CoSi~2~O~7~","Acta Crystallographica Section B","1993","49","2","172","179","10.1107/S0108768192008048","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100937","5.627","0.003","5.627","0.003","33.39","0.01","90","","90","","120","","915.6","0.7","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","","","","","- Al10 Mg Na Nd O17 -","- Al11 Na2 Nd5 O22 -","- Al33 Na6 Nd15 O66 -","3","0.0833333","AB0294","Wolf, M.; Thomas, J. O.","Ionic distribution in the solid-state laser material Na^+^/Nd^3+^ β<i>''</i>-alumina","Acta Crystallographica Section B","1993","49","3","491","496","10.1107/S0108768193000916","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100938","9.668","0.001","9.6572","0.0008","10.623","0.001","74.161","0.008","74.675","0.008","88.974","0.008","918.67","0.16","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C3 H13 Al3.96 Cr0.04 N O18 P4 -","- C3 H13 Al4 Cr N O18 P4 -","- C6 H26 Al8 Cr2 N2 O36 P8 -","2","1","AL0541","Helliwell, M.; Kaucic, V.; Cheetham, G. M. T.; Harding, M. M.; Kariuki, B. M.; Rizkallah, P. J.","Structure determination from small crystals of two aluminophosphates CrAPO-14 and SAPO-43","Acta Crystallographica Section B","1993","49","3","413","420","10.1107/S0108768192009005","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100939","9.6455","0.0013","9.6406","0.0017","10.599","0.003","74.159","0.006","74.714","0.01","88.955","0.009","913.1","0.3","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C3 H13 Al3.96 Cr0.04 N O18 P4 -","- C3 H10 Al4 Cr N O18 P4 -","- C6 H20 Al8 Cr2 N2 O36 P8 -","2","1","AL0541","Helliwell, M.; Kaucic, V.; Cheetham, G. M. T.; Harding, M. M.; Kariuki, B. M.; Rizkallah, P. J.","Structure determination from small crystals of two aluminophosphates CrAPO-14 and SAPO-43","Acta Crystallographica Section B","1993","49","3","413","420","10.1107/S0108768192009005","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100940","14.158","0.002","14.441","0.001","10.062","0.002","90","","90","","90","","2057.2","0.5","","","","","","","","","","","","6","F d d d {origin @ -1 @ d d d}","F 2uv 2vw","","","","","- C3 H10 Al2 N O8 P2 -","","","8","","AL0541","Helliwell, M.; Kaucic, V.; Cheetham, G. M. T.; Harding, M. M.; Kariuki, B. M.; Rizkallah, P. J.","Structure determination from small crystals of two aluminophosphates CrAPO-14 and SAPO-43","Acta Crystallographica Section B","1993","49","3","413","420","10.1107/S0108768192009005","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100941","14.052","0.005","14.36","0.005","10.012","0.003","90","","90","","90","","2020.3","1.2","","","","","","","","","","","","6","F d d d {origin @ -1 @ d d d}","F 2uv 2vw","","","","","- C3 H10 Al2 N O8 P2 -","","","8","","AL0541","Helliwell, M.; Kaucic, V.; Cheetham, G. M. T.; Harding, M. M.; Kariuki, B. M.; Rizkallah, P. J.","Structure determination from small crystals of two aluminophosphates CrAPO-14 and SAPO-43","Acta Crystallographica Section B","1993","49","3","413","420","10.1107/S0108768192009005","","","0.895","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100942","10.942","0.001","5.158","0.001","25.726","0.002","90","","90","","90","","1451.9","0.3","","","","","","","","","","","","3","P m m a","-P 2a 2a","","","","","- O5 S Ti -","- O10 S2 Ti2 -","- O160 S32 Ti32 -","16","2","AL0545","Gatehouse, B. M.; Platts, S. N.; Williams, T. B.","Structure of anhydrous titanyl sulfate, titanyl sulfate monohydrate and prediction of a new structure","Acta Crystallographica Section B","1993","49","3","428","435","10.1107/S010876819201320X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100943","9.818","0.001","5.133","0.001","8.614","0.002","90","","90","","90","","434.11","0.14","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- H2 O6 S Ti -","- H2 O6 S Ti -","- H8 O24 S4 Ti4 -","4","1","AL0545","Gatehouse, B. M.; Platts, S. N.; Williams, T. B.","Structure of anhydrous titanyl sulfate, titanyl sulfate monohydrate and prediction of a new structure","Acta Crystallographica Section B","1993","49","3","428","435","10.1107/S010876819201320X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100944","8.544","0.001","10.973","0.001","7.972","0.001","90","","109.39","0.01","90","","705.01","0.14","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C8 H32 Br2 Cl4 N8 O16 Pt2 -","- C8 H32 Br2 Cl4 N8 O16 Pt2 -","- C8 H32 Br2 Cl4 N8 O16 Pt2 -","1","0.25","AS0410","Toriumi, K.; Yamashita, M.; Kurita, S.; Murase, I.; Ito, T.","Phase transitions of the halogen-bridged <i>M</i>^II^‒<i>X</i>‒<i>M</i>^IV^ mixed-valence complexes [<i>M</i>(en)~2~][<i>M</i>X~2~(en)~2~](ClO~4~)~4~ (<i>M</i> = Pt,Pd; <i>X</i> = Cl, Br). Structural studies of the high- and low-temperature phases of [Pt(en)~2~][PtBr~2~(en)~2~](ClO~4~)~4~","Acta Crystallographica Section B","1993","49","3","497","506","10.1107/S0108768192009480","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","205956","2020-10-21","18:00:00",""
"2100945","13.563","0.002","10.939","0.003","9.664","0.002","90","","90","","90","","1433.8","0.5","","","","","","","","","","","","7","I c m a","-I 2b 2b","72","","","","- C8 H32 Br2 Cl4 N8 O16 Pt2 -","- C8 H32 Br2 Cl4 N8 O16 Pt2 -","- C16 H64 Br4 Cl8 N16 O32 Pt4 -","2","0.125","AS0410","Toriumi, K.; Yamashita, M.; Kurita, S.; Murase, I.; Ito, T.","Phase transitions of the halogen-bridged <i>M</i>^II^‒<i>X</i>‒<i>M</i>^IV^ mixed-valence complexes [<i>M</i>(en)~2~][<i>M</i>X~2~(en)~2~](ClO~4~)~4~ (<i>M</i> = Pt,Pd; <i>X</i> = Cl, Br). Structural studies of the high- and low-temperature phases of [Pt(en)~2~][PtBr~2~(en)~2~](ClO~4~)~4~","Acta Crystallographica Section B","1993","49","3","497","506","10.1107/S0108768192009480","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","205908","2020-10-21","18:00:00",""
"2100946","7.2716","0.0005","7.2716","0.0005","27.346","0.003","90","","90","","120","","1252.2","0.2","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- Al9 Er Ni3 -","- Al9 Er Ni3 -","- Al54 Er6 Ni18 -","6","0.333333","DU0339","Gladyshevskii, R. E.; Cenzual, K.; Flack, H. D.; Parthé, E.","Structure of <i>R</i>Ni~3~Al~9~ (<i>R</i> = Y, Gd, Dy, Er) with either ordered or partly disordered arrangement of Al-atom triangles and rare-earth-metal atoms","Acta Crystallographica Section B","1993","49","3","468","474","10.1107/S010876819201173X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","203318","2020-10-21","18:00:00",""
"2100947","7.3006","0.0009","7.3006","0.0009","27.478","0.005","90","","90","","120","","1464.5","0.4","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- Al9 Gd Ni3 -","- Al9 Gd Ni3 -","- Al54 Gd6 Ni18 -","6","0.333333","DU0339","Gladyshevskii, R. E.; Cenzual, K.; Flack, H. D.; Parthé, E.","Structure of <i>R</i>Ni~3~Al~9~ (<i>R</i> = Y, Gd, Dy, Er) with either ordered or partly disordered arrangement of Al-atom triangles and rare-earth-metal atoms","Acta Crystallographica Section B","1993","49","3","468","474","10.1107/S010876819201173X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","203317","2020-10-21","18:00:00",""
"2100948","7.2894","0.0007","7.2894","0.0007","27.43","0.005","90","","90","","120","","1457.5","0.3","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- Al9 Ni3 Y -","- Al12 Ni3 Y1.5 -","- Al72 Ni18 Y9 -","6","0.333333","DU0339","Gladyshevskii, R. E.; Cenzual, K.; Flack, H. D.; Parthé, E.","Structure of <i>R</i>Ni~3~Al~9~ (<i>R</i> = Y, Gd, Dy, Er) with either ordered or partly disordered arrangement of Al-atom triangles and rare-earth-metal atoms","Acta Crystallographica Section B","1993","49","3","468","474","10.1107/S010876819201173X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","203317","2020-10-21","18:00:00",""
"2100949","7.2723","0.0009","7.2723","0.0009","27.344","0.006","90","","90","","120","","1446.1","0.4","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- Al9 Dy Ni3 -","- Al12 Dy1.5 Ni3 -","- Al72 Dy9 Ni18 -","6","0.333333","DU0339","Gladyshevskii, R. E.; Cenzual, K.; Flack, H. D.; Parthé, E.","Structure of <i>R</i>Ni~3~Al~9~ (<i>R</i> = Y, Gd, Dy, Er) with either ordered or partly disordered arrangement of Al-atom triangles and rare-earth-metal atoms","Acta Crystallographica Section B","1993","49","3","468","474","10.1107/S010876819201173X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","203317","2020-10-21","18:00:00",""
"2100950","8.8142","0.0006","8.8142","0.0006","9.5692","0.0009","90","","90","","120","","643.83","0.09","","","","","","","","","","","","3","P 63/m m c","","","","","","- Al12 Gd3 Ru4 -","- Al22 Gd3 Ru4 -","- Al44 Gd6 Ru8 -","2","0.0833333","DU0343","Gladyshevskii, R. E.; Strusievicz, O. R.; Cenzual, K.; Parthé, E.","Structure of Gd~3~Ru~4~Al~12~, a new member of the EuMg~5.2~ structure family with minority-atom clusters","Acta Crystallographica Section B","1993","49","3","474","478","10.1107/S0108768192011510","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100951","7.864","0.004","11.876","0.005","14.936","0.008","90","","90","","90","","1394.9","1.2","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H16 As Cl3 O4 -","- C24 As Cl3 O4 -","- C96 As4 Cl12 O16 -","4","0.5","HA0112","Alcock, N. W.; Ravindran, M.; Willey, G. R.","Preparations and structural correlations for the complexes of <i>M</i>^III^ halides (<i>M</i> = As, Sb, Bi) with crown ethers: structures of AsCl~3~.12-crown-4, AsCl~3~.15-crown-5, SbCl~3~.12-crown-4 and BiCl~3~.15-crown-5 and an evaluation of relative binding strengths for crown ligands","Acta Crystallographica Section B","1993","49","3","507","514","10.1107/S0108768192009595","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2100952","7.731","0.003","12.815","0.004","16.011","0.006","90","","90","","90","","1586.3","1","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C10 H20 As Cl3 O5 -","- C10 H20 As Cl3 O5 -","- C40 H80 As4 Cl12 O20 -","4","1","HA0112","Alcock, N. W.; Ravindran, M.; Willey, G. R.","Preparations and structural correlations for the complexes of <i>M</i>^III^ halides (<i>M</i> = As, Sb, Bi) with crown ethers: structures of AsCl~3~.12-crown-4, AsCl~3~.15-crown-5, SbCl~3~.12-crown-4 and BiCl~3~.15-crown-5 and an evaluation of relative binding strengths for crown ligands","Acta Crystallographica Section B","1993","49","3","507","514","10.1107/S0108768192009595","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100953","14.988","0.009","7.938","0.003","12.022","0.009","90","","90.49","0.05","90","","1430.3","1.5","","","","","","","","","","","","5","P 1 a 1","P -2ya","","","","","- C8 H16 Cl3 O4 Sb -","- C8 H14 Cl3 O4 Sb -","- C32 H56 Cl12 O16 Sb4 -","4","2","HA0112","Alcock, N. W.; Ravindran, M.; Willey, G. R.","Preparations and structural correlations for the complexes of <i>M</i>^III^ halides (<i>M</i> = As, Sb, Bi) with crown ethers: structures of AsCl~3~.12-crown-4, AsCl~3~.15-crown-5, SbCl~3~.12-crown-4 and BiCl~3~.15-crown-5 and an evaluation of relative binding strengths for crown ligands","Acta Crystallographica Section B","1993","49","3","507","514","10.1107/S0108768192009595","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100954","7.692","0.002","13.285","0.003","15.939","0.004","90","","90","","90","","1628.8","0.7","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C10 H20 Bi Cl3 O5 -","- C10 H20 Bi Cl3 O5 -","- C40 H80 Bi4 Cl12 O20 -","4","1","HA0112","Alcock, N. W.; Ravindran, M.; Willey, G. R.","Preparations and structural correlations for the complexes of <i>M</i>^III^ halides (<i>M</i> = As, Sb, Bi) with crown ethers: structures of AsCl~3~.12-crown-4, AsCl~3~.15-crown-5, SbCl~3~.12-crown-4 and BiCl~3~.15-crown-5 and an evaluation of relative binding strengths for crown ligands","Acta Crystallographica Section B","1993","49","3","507","514","10.1107/S0108768192009595","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100955","7.482","0.002","9.775","0.002","10.019","0.001","116","0.01","102","0.02","96.78","0.02","625.7","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N5 S -","- C11 H15 N5 S -","- C22 H30 N10 S2 -","2","1","HA0114","Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S.","Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine","Acta Crystallographica Section B","1993","49","3","547","559","10.1107/S0108768193000217","","","1.54018","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100956","8.67","0.004","14.095","0.004","11.682","0.002","90","","99.32","","90","","1408.7","0.8","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C12 H17 N5 O S -","- C12 H17 N5 O S -","- C48 H68 N20 O4 S4 -","4","1","HA0114","Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S.","Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine","Acta Crystallographica Section B","1993","49","3","547","559","10.1107/S0108768193000217","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100957","10.928","0.004","9.183","0.002","14.229","0.008","90","","100.4","0.8","90","","1404","4","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C11 H14 Br N5 S -","- C11 H14 Br N5 S -","- C44 H56 Br4 N20 S4 -","4","1","HA0114","Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S.","Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine","Acta Crystallographica Section B","1993","49","3","547","559","10.1107/S0108768193000217","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100958","15.57","0.008","10.39","0.003","17.383","0.004","90","","99.38","0.02","90","","2774.5","1.8","","","","","","","","","","","","4","I 1 2/c 1","","","","","","- C12 H19 N5 O -","- C12 H19 N5 O -","- C96 H152 N40 O8 -","8","1","HA0114","Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S.","Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine","Acta Crystallographica Section B","1993","49","3","547","559","10.1107/S0108768193000217","","","1.54018","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100959","7.86","0.002","9.388","0.001","9.706","0.001","92.96","0.01","95.89","0.01","91.49","0.01","711.1","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 N5 O -","- C13 H21 N5 O -","- C26 H42 N10 O2 -","2","1","HA0114","Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S.","Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine","Acta Crystallographica Section B","1993","49","3","547","559","10.1107/S0108768193000217","","","1.54018","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100960","23.78","0.004","9.162","0.002","28.144","0.005","90","","111.47","0.01","90","","5706.3","1.9","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C13 H19 N5 O -","- C13 H19 N5 O -","- C208 H304 N80 O16 -","16","2","HA0114","Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S.","Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine","Acta Crystallographica Section B","1993","49","3","547","559","10.1107/S0108768193000217","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208158","2020-10-21","18:00:00",""
"2100961","4.6267","0.0003","13.846","0.001","19.828","0.002","90","","93.14","0.01","90","","1268.3","0.18","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 F N5 -","- C12 H16 F N5 -","- C48 H64 F4 N20 -","4","1","HA0114","Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S.","Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine","Acta Crystallographica Section B","1993","49","3","547","559","10.1107/S0108768193000217","","","1.54018","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2100962","14.104","0.008","12.678","0.004","7.812","0.003","90","","101.92","0.04","90","","1366.7","1.1","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C12 H16 Br N5 -","- C12 H16 Br N5 -","- C48 H64 Br4 N20 -","4","1","HA0114","Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S.","Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine","Acta Crystallographica Section B","1993","49","3","547","559","10.1107/S0108768193000217","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100963","7.7","0.001","9.331","0.001","10.767","0.001","78.52","0.01","85.56","0.01","76.46","0.01","736.66","0.15","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 N5 O2 -","- C13 H21 N5 O2 -","- C26 H42 N10 O4 -","2","1","HA0114","Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S.","Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine","Acta Crystallographica Section B","1993","49","3","547","559","10.1107/S0108768193000217","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100964","5.135","0.001","24.556","0.005","9.496","0.002","90","","105.33","0.03","90","","1154.8","0.4","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O4 -","- C11 H10 N O5 -","- C44 H40 N4 O20 -","4","1","HU0416","Feeder, N.; Jones, W.","Crystal structures and polymorphism in aliphatic <i>p</i>-amidobenzoic acids","Acta Crystallographica Section B","1993","49","3","541","546","10.1107/S0108768193000515","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2100965","5.12","0.006","6.595","0.002","15.786","0.003","100.98","0.02","94.48","0.05","98.15","0.05","515","0.6","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H13 N O3 -","- C11 H12 N O3 -","- C22 H24 N2 O6 -","2","1","HU0416","Feeder, N.; Jones, W.","Crystal structures and polymorphism in aliphatic <i>p</i>-amidobenzoic acids","Acta Crystallographica Section B","1993","49","3","541","546","10.1107/S0108768193000515","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100966","5.081","0.004","24.066","0.006","9.662","0.004","90","","82.06","0.06","90","","1170.1","1.1","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","HU0416","Feeder, N.; Jones, W.","Crystal structures and polymorphism in aliphatic <i>p</i>-amidobenzoic acids","Acta Crystallographica Section B","1993","49","3","541","546","10.1107/S0108768193000515","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100967","5.176","0.001","6.731","0.005","22.127","0.017","92.79","0.06","91.13","0.04","100.04","0.04","757.9","0.8","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H23 N O3 -","- C16 H21 N O3 -","- C32 H42 N2 O6 -","2","1","HU0416","Feeder, N.; Jones, W.","Crystal structures and polymorphism in aliphatic <i>p</i>-amidobenzoic acids","Acta Crystallographica Section B","1993","49","3","541","546","10.1107/S0108768193000515","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100968","6.957","0.002","17.108","0.001","20.477","0.006","90","","90","","90","","2437.2","1","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C27 H32 N2 O6 -","- C27 H32 N2 O6 -","- C108 H128 N8 O24 -","4","1","KA0021","Oleksyn, B. J.; Serda, P.","Salt-bridge formation by <i>Cinchona</i> alkaloids: quininium salicylate monohydrate","Acta Crystallographica Section B","1993","49","3","530","534","10.1107/S0108768192011832","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","191100","2020-10-21","18:00:00",""
"2100969","10.0209","0.0008","15.661","0.001","14.0914","0.0008","90","","101.216","0.005","90","","2169.3","0.5","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C4 H21 Al3 N4 Ni O18 P4 -","- C4 H21 Al3 N4 Ni O18 P4 -","- C16 H84 Al12 N16 Ni4 O72 P16 -","4","1","LI0137","Helliwell, M.; Gallois, B.; Kariuki, B. M.; Kaucic, V.; Helliwell, J. R.","A two-wavelength crystallographic study of a new aluminophosphate containing nickel","Acta Crystallographica Section B","1993","49","3","420","428","10.1107/S0108768192011042","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2100970","10.03","0.02","15.67","0.02","14.14","0.02","90","","101.3","0.1","90","","2180","5","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C4 H21 Al3 N4 Ni O18 P4 -","- C4 H21 Al3 N4 Ni O18 P4 -","- C16 H84 Al12 N16 Ni4 O72 P16 -","4","1","LI0137","Helliwell, M.; Gallois, B.; Kariuki, B. M.; Kaucic, V.; Helliwell, J. R.","A two-wavelength crystallographic study of a new aluminophosphate containing nickel","Acta Crystallographica Section B","1993","49","3","420","428","10.1107/S0108768192011042","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2100971","10.082","0.003","15.523","0.005","16.301","0.005","87.32","0.03","77","0.03","79.7","0.02","2445.7","0.8","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H65 N7 O10 -","- C40 H65 N7 O12 -","- C80 H130 N14 O24 -","2","1","MU0298","Vlassi, M.; Brueckner, H.; Kokkinidis, M.","Peptide with built-in conformational constraints: structure of Z-(Aib)~7~-O^<i>t^</i>Bu","Acta Crystallographica Section B","1993","49","3","560","564","10.1107/S0108768192007171","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100973","12.712","0.005","30.83","0.02","14.745","0.006","90","","88.02","0.01","90","","5775","5","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H85 Mo5 N5 O23 S2 -","- C39 Mo5 N5 O23 S2 -","- C156 Mo20 N20 O92 S8 -","4","1","MU0303","Maginn, S. J.; Harding, M. M.; Campbell, J. W.","Structure determination of a complex pentamolybdodisulfate from synchrotron radiation Laue diffraction photographs: derivation and application of a wavelength-dependent absorption correction","Acta Crystallographica Section B","1993","49","3","520","524","10.1107/S0108768192011662","","","0.6","synchrotron","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2100974","17.87","0.005","12.045","0.004","18.641","0.003","90","","100.66","0.03","90","","3943.1","1.9","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C22 H23 Ir N2 O4 -","- C22 H23 Ir N2 O4 -","- C176 H184 Ir8 N16 O32 -","8","1","MU0305","Ziessel, R.; Noblat-Chardon, S.; Deronzier, A.; Matt, D.; Toupet, L.; Balgroune, F.; Grandjean, D.","Comparative structural studies of [(η^5^-Me~5~C~5~)Ir^I^(2,2'-bipyridine‒4,4'-COOH)] and [(η^5^-Me~5~C~5~)Ir^III^{2,2'-bipyridine-4,4'-COO(CH~2~)~3~-pyrrole}Cl]ClO~4~","Acta Crystallographica Section B","1993","49","3","515","519","10.1107/S0108768192012060","","","0.70926","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100975","9.87","0.003","14.908","0.008","25.931","0.005","90","","96.91","0.02","90","","3788","2","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","","","- C36 H41 Cl2 Ir N4 O8 -","- C36 H41 Cl2 Ir N4 O12 -","- C144 H164 Cl8 Ir4 N16 O48 -","4","1","MU0305","Ziessel, R.; Noblat-Chardon, S.; Deronzier, A.; Matt, D.; Toupet, L.; Balgroune, F.; Grandjean, D.","Comparative structural studies of [(η^5^-Me~5~C~5~)Ir^I^(2,2'-bipyridine‒4,4'-COOH)] and [(η^5^-Me~5~C~5~)Ir^III^{2,2'-bipyridine-4,4'-COO(CH~2~)~3~-pyrrole}Cl]ClO~4~","Acta Crystallographica Section B","1993","49","3","515","519","10.1107/S0108768192012060","","","0.70926","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100976","3.0933","0.0002","3.1336","0.0002","7.7005","0.0005","90","","90","","90","","74.642","0.008","","","","","","","","","","","","3","P m m m","-P 2 2","","","","","- B Mg3 N3 -","- B Mg3 N3 -","- B Mg3 N3 -","1","0.125","OH0030","Hiraguchi, H.; Hashizume, H.; Sasaki, S.; Nakano, S.; Fukunaga, O.","Structure of a high-pressure polymorph of Mg~3~BN~3~ determined from X-ray powder data","Acta Crystallographica Section B","1993","49","3","478","483","10.1107/S0108768192013533","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100977","29.617","0.009","13.185","0.003","9.013","0.002","90","","90","","90","","3519.6","1.5","","","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C5 H7 N3 O6 S -","- C5 H7 N3 O6 S -","- C80 H112 N48 O96 S16 -","16","2","PA0284","Pecaut, J.; Le Fur, Y.; Masse, R.","Crystal engineering and structural investigations of the 2-amino-5-nitropyridinium salts C~5~H~6~N~3~O~2~^+^.HSO~4~^{-^} and C~5~H~6~N~3~O~2~^+^.H~2~AsO~4~^{-^}","Acta Crystallographica Section B","1993","49","3","535","541","10.1107/S0108768192011431","","","0.5608","Ag","","","","","","","","","","","","","","","","","has coordinates","205962","2020-10-21","18:00:00",""
"2100978","25.777","0.005","6.333","0.002","5.814","0.004","90","","90","","90","","949.1","0.7","","","","","","","","","","","","5","P n a 21","P 2c -2n","","","","","- C5 H8 As N3 O6 -","- C5 H8 As N3 O6 -","- C20 H32 As4 N12 O24 -","4","1","PA0284","Pecaut, J.; Le Fur, Y.; Masse, R.","Crystal engineering and structural investigations of the 2-amino-5-nitropyridinium salts C~5~H~6~N~3~O~2~^+^.HSO~4~^{-^} and C~5~H~6~N~3~O~2~^+^.H~2~AsO~4~^{-^}","Acta Crystallographica Section B","1993","49","3","535","541","10.1107/S0108768192011431","","","0.5608","Ag","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100979","5.6206","0.0003","5.6206","0.0003","33.703","0.005","90","","90","","120","","922.07","0.15","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Al11 Mg Na O19 U2 -","- Al11 Na8 O34 U6 -","- Al33 Na24 O102 U18 -","3","0.0833333","AB0295","Wolf, M.; Wendsjö, Å.; Thomas, J. O.; Barrie, J. D.","Structure of the luminescent system Na^+^/UO~2~^+^ β''-alumina","Acta Crystallographica Section B","1993","49","4","610","614","10.1107/S0108768193000928","","","0.71073","molybdenum","","","","","","","","","","","","","","","","","has coordinates","203327","2020-10-21","18:00:00",""
"2100980","16.304","0.006","20.321","0.008","15.939","0.006","90","","102.25","0.02","90","","5161","3","","","","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C42 H60 N12 O12 S2 -","- C42 H60 N12 O12 S2 -","- C168 H240 N48 O48 S8 -","4","0.5","AB0298","Caira, M. R.; Mohamed, R.","Stabilizing role of included solvent in ternary complexation: synthesis, structures and thermal analyses of three 18-crown-6/sulfonamide/acetonitrile inclusion compounds","Acta Crystallographica Section B","1993","49","4","760","768","10.1107/S0108768193001454","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","209107","2020-10-21","18:00:00",""
"2100981","8.355","0.004","40.104","0.004","9.339","0.002","90","","111.13","0.03","90","","2918.8","1.7","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H36 N4 O8 S2 -","- C23 H36 N4 O8 S2 -","- C92 H144 N16 O32 S8 -","4","1","AB0298","Caira, M. R.; Mohamed, R.","Stabilizing role of included solvent in ternary complexation: synthesis, structures and thermal analyses of three 18-crown-6/sulfonamide/acetonitrile inclusion compounds","Acta Crystallographica Section B","1993","49","4","760","768","10.1107/S0108768193001454","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2100982","13.558","0.003","14.57","0.003","11.404","0.001","90","","95.38","0.01","90","","2242.8","0.7","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C38 H54 N10 O10 S2 -","- C38 H54 N10 O10 S2 -","- C76 H108 N20 O20 S4 -","2","0.5","AB0298","Caira, M. R.; Mohamed, R.","Stabilizing role of included solvent in ternary complexation: synthesis, structures and thermal analyses of three 18-crown-6/sulfonamide/acetonitrile inclusion compounds","Acta Crystallographica Section B","1993","49","4","760","768","10.1107/S0108768193001454","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100983","20.79","0.01","12.453","0.006","4.149","0.001","90","","90","","90","","1074.2","0.8","","","","","","","","","","","","3","C m m m","-C 2 2","","","","","- Ba4 Nb14 O23 -","- Ba4 Nb14 O23 -","- Ba8 Nb28 O46 -","2","0.125","AB0304","Svensson, G.; Grins, J.","Structure of Ba~4~Nb~14~O~23~","Acta Crystallographica Section B","1993","49","4","626","631","10.1107/S0108768193003088","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100984","4.6497","0.0006","4.6497","0.0006","3.0836","0.0006","90","","90","","90","","66.67","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","","","","","- F2 Ni -","- F2 Ni -","- F4 Ni2 -","2","0.125","AL0547","Costa, M. M. R.; Paixão, J. A.; de Almeida, M. J. M.; Andrade, L. C. R.","Charge densities of two rutile structures: NiF~2~ and CoF~2~","Acta Crystallographica Section B","1993","49","4","591","599","10.1107/S0108768193001624","","","0.7017","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100985","4.6497","0.0006","4.6497","0.0006","3.0836","0.0006","90","","90","","90","","66.67","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","","","","","- F2 Ni -","- F2 Ni -","- F4 Ni2 -","2","0.125","AL0547","Costa, M. M. R.; Paixão, J. A.; de Almeida, M. J. M.; Andrade, L. C. R.","Charge densities of two rutile structures: NiF~2~ and CoF~2~","Acta Crystallographica Section B","1993","49","4","591","599","10.1107/S0108768193001624","","","0.7017","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100986","4.695","0.0007","4.695","0.0007","3.1817","0.0005","90","","90","","90","","70.1","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","","","","","- Co F2 -","- Co F2 -","- Co2 F4 -","2","0.125","AL0547","Costa, M. M. R.; Paixão, J. A.; de Almeida, M. J. M.; Andrade, L. C. R.","Charge densities of two rutile structures: NiF~2~ and CoF~2~","Acta Crystallographica Section B","1993","49","4","591","599","10.1107/S0108768193001624","","","0.7017","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100987","4.695","0.0007","4.695","0.0007","3.1817","0.0005","90","","90","","90","","70.1","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","","","","","- Co F2 -","- Co F2 -","- Co2 F4 -","2","0.125","AL0547","Costa, M. M. R.; Paixão, J. A.; de Almeida, M. J. M.; Andrade, L. C. R.","Charge densities of two rutile structures: NiF~2~ and CoF~2~","Acta Crystallographica Section B","1993","49","4","591","599","10.1107/S0108768193001624","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100988","10.261","","14.03","","5.1566","","90","","90","","90","","742.354","","","","","","","","","","","","","4","P b 21 a","P -2a -2ab","","","","","- Al Na O4 Si -","- Al2 Na2 O8 Si2 -","- Al8 Na8 O32 Si8 -","4","1","AL0548","Withers, R. L.; Thompson, J. G.","Modulation wave approach to the structural parameterization and Rietveld refinement of low carnegieite","Acta Crystallographica Section B","1993","49","4","614","626","10.1107/S010876819300134X","","neutron","2.5717","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100989","9.388","0.002","9.388","0.002","6.991","0.005","90","","90","","120","","533.6","0.6","","","","","","","","","","","","5","P 63/m","-P 6c","","","","","- C4 H12 Br3 Cd N -","- C9 Br3 Cd N -","- C18 Br6 Cd2 N2 -","2","0.166667","AL0552","Aguirre-Zamalloa, G.; Madariaga, G.; Couzi, M.; Breczewski, T.","X-ray diffraction study of the ferroelectric phase transition of (CH~3~)~4~NCdBr~3~ (TMCB)","Acta Crystallographica Section B","1993","49","4","691","698","10.1107/S010876819300182X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100990","9.219","0.004","9.219","0.004","20.86","0.01","90","","90","","120","","1535.4","1.2","","","","","","","","","","","","5","P 61","P 61","","","","","- C4 H12 Br3 Cd N -","- C4 H12 Br3 Cd N -","- C24 H72 Br18 Cd6 N6 -","6","1","AL0552","Aguirre-Zamalloa, G.; Madariaga, G.; Couzi, M.; Breczewski, T.","X-ray diffraction study of the ferroelectric phase transition of (CH~3~)~4~NCdBr~3~ (TMCB)","Acta Crystallographica Section B","1993","49","4","691","698","10.1107/S010876819300182X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100991","9.388","0.002","9.388","0.002","6.991","0.005","90","","90","","120","","533.6","0.6","","","","","","","","","","","","5","P 63/m","-P 6c","","","","","- C4 H12 Br3 Cd N -","- C24 Br3 Cd N -","- C48 Br6 Cd2 N2 -","2","0.166667","AL0552","Aguirre-Zamalloa, G.; Madariaga, G.; Couzi, M.; Breczewski, T.","X-ray diffraction study of the ferroelectric phase transition of (CH~3~)~4~NCdBr~3~ (TMCB)","Acta Crystallographica Section B","1993","49","4","691","698","10.1107/S010876819300182X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100992","4.991","0.002","4.991","0.002","17.062","0.002","90","","90","","120","","368.1","0.3","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","calcite","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","AS0621","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.","X-ray study of the electron density in calcite, CaCo~3~","Acta Crystallographica Section B","1993","49","4","636","641","10.1107/S0108768193002575","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","205135","2020-10-21","18:00:00",""
"2100993","6.729","0.002","9.176","0.002","9.49","0.003","94.49","0.02","107.42","0.02","103.12","0.02","537.7","0.3","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 Cl2 -","- C11 H12 Cl2 -","- C22 H24 Cl4 -","2","1","CR0431","Lukin, K. A.; Kozhushkov, S. I.; Zefirov, N. S.; Yufit, D. S.; Struchkov, Y. T.","Geometry of three-membered rings in triangulanes: an X-ray structural study and additivity scheme for carbon–carbon bond lengths in triangulanes","Acta Crystallographica Section B","1993","49","4","704","708","10.1107/S0108768192013612","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100994","7.433","0.005","9.508","0.006","10.12","0.009","111.69","0.02","93.81","0.06","100.23","0.05","647.1","0.9","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H14 Br2 -","- C13 H14 Br2 -","- C26 H28 Br4 -","2","1","CR0431","Lukin, K. A.; Kozhushkov, S. I.; Zefirov, N. S.; Yufit, D. S.; Struchkov, Y. T.","Geometry of three-membered rings in triangulanes: an X-ray structural study and additivity scheme for carbon–carbon bond lengths in triangulanes","Acta Crystallographica Section B","1993","49","4","704","708","10.1107/S0108768192013612","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100995","11.549","0.003","12.528","0.002","16.931","0.002","91.13","0.01","99.45","0.02","114.87","0.02","2181.5","0.8","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H39 Ir N3 O P2 -","- C56 H30 Ir N3 O P2 -","- C112 H60 Ir2 N6 O2 P4 -","2","1","CR0435","Wang, J.-C.; Shih, L. J.; Chen, Y.-J.; Wang, Y.; Fronczek, F. R.; Watkins, S. F.","Structure of <i>trans</i>-<i>M</i>(CO)(C~4~N~3~)(PPh~3~)~2~.1.5C~6~H~6~ (<i>M</i> = Ir and Rh): the pyramidal geometry of the tricyanomethanide anion (C~4~N~3~^{-^})","Acta Crystallographica Section B","1993","49","4","680","685","10.1107/S0108768193001466","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100996","11.33","0.004","12.337","0.004","16.908","0.004","91.61","0.02","99.6","0.03","114.48","0.03","2108.3","1.3","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H39 Ir N3 O P2 -","- C57 H30 Ir N4 O P2 -","- C114 H60 Ir2 N8 O2 P4 -","2","1","CR0435","Wang, J.-C.; Shih, L. J.; Chen, Y.-J.; Wang, Y.; Fronczek, F. R.; Watkins, S. F.","Structure of <i>trans</i>-<i>M</i>(CO)(C~4~N~3~)(PPh~3~)~2~.1.5C~6~H~6~ (<i>M</i> = Ir and Rh): the pyramidal geometry of the tricyanomethanide anion (C~4~N~3~^{-^})","Acta Crystallographica Section B","1993","49","4","680","685","10.1107/S0108768193001466","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100997","11.759","0.003","11.779","0.005","16.352","0.003","102.21","0.02","104.61","0.02","94.92","0.03","2118.8","1.2","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H39 N3 O P2 Rh -","- C50 H36 N3 O P2 Rh -","- C100 H72 N6 O2 P4 Rh2 -","2","1","CR0435","Wang, J.-C.; Shih, L. J.; Chen, Y.-J.; Wang, Y.; Fronczek, F. R.; Watkins, S. F.","Structure of <i>trans</i>-<i>M</i>(CO)(C~4~N~3~)(PPh~3~)~2~.1.5C~6~H~6~ (<i>M</i> = Ir and Rh): the pyramidal geometry of the tricyanomethanide anion (C~4~N~3~^{-^})","Acta Crystallographica Section B","1993","49","4","680","685","10.1107/S0108768193001466","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2100998","6.733","0.001","6.831","0.001","24.486","0.002","90","","90","","90","","1126.2","0.3","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N2 O5 S -","- C9 H12 N2 O5 S -","- C36 H48 N8 O20 S4 -","4","1","GR0211","Li, H.; Kennedy, S. D.; Goldstein, B. M.","Solid-state and solution conformations of isotiazofurin: crystallographic, computational and ^1^H NMR studies","Acta Crystallographica Section B","1993","49","4","729","738","10.1107/S0108768193001053","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100999","17.7366","0.0017","9.8219","0.0007","9.0558","0.0011","90","","90","","90","","1577.6","0.3","","","","","","","","","","","","3","P b c 21","P 2c -2b","","","","","- C12 H24 S4 -","- C12 H24 S4 -","- C48 H96 S16 -","4","1","HA0116","Blake, A. J.; Gould, R. O.; Halcrow, M. A.; Schröder, M.","Conformational studies on [16]aneS~4~. Structures of α- and β-[16]aneS~4~ ([16]aneS~4~ = 1,5,9,13-tetrathiacyclohexadecane)","Acta Crystallographica Section B","1993","49","4","773","779","10.1107/S0108768193001910","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101000","5.5605","0.0019","8.124","0.002","17.662","0.01","90","","96.108","0.017","90","","793.3","0.6","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H24 S4 -","- C12 H24 S4 -","- C24 H48 S8 -","2","1","HA0116","Blake, A. J.; Gould, R. O.; Halcrow, M. A.; Schröder, M.","Conformational studies on [16]aneS~4~. Structures of α- and β-[16]aneS~4~ ([16]aneS~4~ = 1,5,9,13-tetrathiacyclohexadecane)","Acta Crystallographica Section B","1993","49","4","773","779","10.1107/S0108768193001910","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101001","12.1646","0.0005","5.5988","0.0002","12.389","0.002","90","","90.47","0.01","90","","843.75","0.14","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H15 N3 O2 -","- C21 H15 N3 O2 -","- C42 H30 N6 O4 -","2","1","HH0630","Duke, N. E. C.; Codding, P. W.","Structural and molecular modeling studies of quinazolinone anticonvulsants","Acta Crystallographica Section B","1993","49","4","719","726","10.1107/S0108768193000576","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","199437","2020-10-21","18:00:00",""
"2101002","10.9354","0.0006","14.502","0.001","13.019","0.001","90","","114.481","0.004","90","","1879","0.2","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C21 H14 Cl N3 O2 -","- C21 H14 Cl N3 O2 -","- C84 H56 Cl4 N12 O8 -","4","1","HH0630","Duke, N. E. C.; Codding, P. W.","Structural and molecular modeling studies of quinazolinone anticonvulsants","Acta Crystallographica Section B","1993","49","4","719","726","10.1107/S0108768193000576","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","199437","2020-10-21","18:00:00",""
"2101003","5.618","0.002","30.329","0.007","10.456","0.004","90","","98.21","0.02","90","","1763.3","1","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N3 O2 -","- C22 H17 N3 O2 -","- C88 H68 N12 O8 -","4","1","HH0630","Duke, N. E. C.; Codding, P. W.","Structural and molecular modeling studies of quinazolinone anticonvulsants","Acta Crystallographica Section B","1993","49","4","719","726","10.1107/S0108768193000576","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","199437","2020-10-21","18:00:00",""
"2101004","13.9347","0.0007","9.6794","0.0006","25.962","0.001","90","","90","","90","","3501.7","0.3","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H14 Cl N3 O2 -","- C21 H14 Cl N3 O2 -","- C168 H112 Cl8 N24 O16 -","8","1","HH0630","Duke, N. E. C.; Codding, P. W.","Structural and molecular modeling studies of quinazolinone anticonvulsants","Acta Crystallographica Section B","1993","49","4","719","726","10.1107/S0108768193000576","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","199437","2020-10-21","18:00:00",""
"2101005","10.2078","0.0004","10.237","0.001","35.676","0.003","90","","90","","90","","3728","0.5","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C184 H144 N16 O16 -","8","1","HH0630","Duke, N. E. C.; Codding, P. W.","Structural and molecular modeling studies of quinazolinone anticonvulsants","Acta Crystallographica Section B","1993","49","4","719","726","10.1107/S0108768193000576","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","199437","2020-10-21","18:00:00",""
"2101006","10.713","0.001","11.991","0.001","8.177","0.001","95.71","0.01","105.14","0.01","79.61","0.01","995.81","0.18","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 O4 -","- C26 O4 -","- C52 O8 -","2","1","HH0631","Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.","Crystal structure correlations in the photochemistry of dimethyl 9-phenyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section B","1993","49","4","754","760","10.1107/S0108768193001144","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2101007","10.206","0.003","16.485","0.001","11.758","0.004","90","","95.48","0.02","90","","1969.2","0.9","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O4 -","- C26 O4 -","- C104 O16 -","4","1","HH0631","Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.","Crystal structure correlations in the photochemistry of dimethyl 9-phenyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section B","1993","49","4","754","760","10.1107/S0108768193001144","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101008","11.074","0.002","25.298","0.006","7.668","0.002","94.22","0.02","94.53","0.02","101.77","0.02","2087.6","0.8","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 O4 -","- C26 O4 -","- C104 O16 -","4","2","HH0631","Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.","Crystal structure correlations in the photochemistry of dimethyl 9-phenyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section B","1993","49","4","754","760","10.1107/S0108768193001144","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2101009","8.762","0.001","13.984","0.001","16.569","0.001","90","","90","","90","","2030.2","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C24 H23 N O5 -","- C24 H23 N O5 -","- C96 H92 N4 O20 -","4","1","MU0306","Lenstra, A. T. H.; Geise, H. J.; De Vos, E.; Esmans, E. L.; Alderweireldt, F. C.; Dillen, J. L. M.","2-(2,4:3,5-Di-<i>O</i>-benzylidene-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>allo</i>-pentitol-1-yl)pyridine, C~24~H~23~NO~5~","Acta Crystallographica Section B","1993","49","4","699","703","10.1107/S0108768192013296","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101010","16.48","0.02","6.399","0.003","13.88","0.01","90","","113.5","0.08","90","","1342","2","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C56 H68 N12 O8 -","4","1","OH0029","Kawai, T.; Endo, Y.; Shudo, K.; Itai, A.; Yamaguchi, K.","Structures of two indolactams","Acta Crystallographica Section B","1993","49","4","769","773","10.1107/S0108768193001806","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101011","15.248","0.005","17.578","0.005","6.01","0.001","90","","92.01","0.02","90","","1609.9","0.7","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N3 O2 -","- C17 H23 N3 O2 -","- C68 H92 N12 O8 -","4","1","OH0029","Kawai, T.; Endo, Y.; Shudo, K.; Itai, A.; Yamaguchi, K.","Structures of two indolactams","Acta Crystallographica Section B","1993","49","4","769","773","10.1107/S0108768193001806","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101012","9.677","0.007","10.96","0.006","16.392","0.008","95.95","0.05","97.85","0.05","115.13","0.05","1533.7","1.8","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H32 N4 Ni S32 -","- C56 H56 N4 Ni S32 -","- C56 H56 N4 Ni S32 -","1","0.5","PA0283","Fettouhi, M.; Ouahab, L.; Grandjean, D.; Toupet, L.","Structures at 293 and 100 K of β-tetrakis[bis(ethylenedithio)tetrathiafulvalene] tetracyanonickelate(II): β-[BEDT-TTF]~4~[Ni(CN)~4~]","Acta Crystallographica Section B","1993","49","4","685","691","10.1107/S0108768192010279","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2101013","9.721","0.004","10.761","0.004","16.431","0.005","95.87","0.03","98.17","0.04","115.71","0.03","1506.8","1.1","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H32 N4 Ni S32 -","- C44 H32 N4 Ni S32 -","- C44 H32 N4 Ni S32 -","1","0.5","PA0283","Fettouhi, M.; Ouahab, L.; Grandjean, D.; Toupet, L.","Structures at 293 and 100 K of β-tetrakis[bis(ethylenedithio)tetrathiafulvalene] tetracyanonickelate(II): β-[BEDT-TTF]~4~[Ni(CN)~4~]","Acta Crystallographica Section B","1993","49","4","685","691","10.1107/S0108768192010279","","","0.71073","molybdenum","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2101014","13.826","0.003","13.826","0.003","11.186","0.003","90","","90","","120","","2138.3","0.9","","","","","","","","","","","","5","P 6/m m m","-P 6 2","","","","","- C10 H18 N O7 Si4 -","- C19 H36 N4.75 O17.5 Si2.83333 -","- C228 H432 N57 O210 Si34 -","12","0.5","SH0023","Miehe, G.; Vogt, T.; Fuess, H.; Müller, U.","A study of disorder in the SiO~2~ host lattice of dodecasil 1H using synchrotron radiation","Acta Crystallographica Section B","1993","49","4","745","754","10.1107/S0108768193001326","","","0.78914","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","203284","2020-10-21","18:00:00",""
"2101015","28.883","0.003","15.189","0.002","15.566","0.002","90","","100.37","0.01","90","","6717.3","1.4","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 O8 -","- C38 O8 -","- C304 O64 -","8","2","SH0026","Steiner, T.; Hinrichs, W.; Saenger, W.; Gigg, R.","`Jumping crystals': X-ray structures of the three crystalline phases of (±)-3,4-di-<i>O</i>-acetyl-1,2,5,6-tetra-<i>O</i>-benzyl-<i>myo</i>-inositol","Acta Crystallographica Section B","1993","49","4","708","718","10.1107/S0108768193000795","","","1.542","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101016","14.269","0.002","14.862","0.002","16.506","0.003","90","","103.21","0.01","90","","3407.7","0.9","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C38 H40 O8 -","- C38 O8 -","- C152 O32 -","4","1","SH0026","Steiner, T.; Hinrichs, W.; Saenger, W.; Gigg, R.","`Jumping crystals': X-ray structures of the three crystalline phases of (±)-3,4-di-<i>O</i>-acetyl-1,2,5,6-tetra-<i>O</i>-benzyl-<i>myo</i>-inositol","Acta Crystallographica Section B","1993","49","4","708","718","10.1107/S0108768193000795","","","1.542","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101017","14.464","0.006","14.923","0.005","16.385","0.006","90","","102.73","0.03","90","","3450","2","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C38 H40 O8 -","- C38 O8 -","- C152 O32 -","4","1","SH0026","Steiner, T.; Hinrichs, W.; Saenger, W.; Gigg, R.","`Jumping crystals': X-ray structures of the three crystalline phases of (±)-3,4-di-<i>O</i>-acetyl-1,2,5,6-tetra-<i>O</i>-benzyl-<i>myo</i>-inositol","Acta Crystallographica Section B","1993","49","4","708","718","10.1107/S0108768193000795","","","1.542","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101018","16.261","0.008","15.23","0.008","14.385","0.007","90","","96.73","0.04","90","","3538","3","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C38 H40 O8 -","- C38 O8 -","- C152 O32 -","4","1","SH0026","Steiner, T.; Hinrichs, W.; Saenger, W.; Gigg, R.","`Jumping crystals': X-ray structures of the three crystalline phases of (±)-3,4-di-<i>O</i>-acetyl-1,2,5,6-tetra-<i>O</i>-benzyl-<i>myo</i>-inositol","Acta Crystallographica Section B","1993","49","4","708","718","10.1107/S0108768193000795","","","1.542","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101019","5.1138","0.0002","8.8569","0.0004","19.1851","0.001","90","","95.484","0.004","90","","864.96","0.07","","","","","","","","","","","","9","C 1 c 1","C -2yc","","","","","- Al4 Ca Fe H2 Li Mg Na O12 Si -","- Al4 Ca H4 Li O12 Si2 -","- Al16 Ca4 H16 Li4 O48 Si8 -","4","1","SH0027","Kassner, D.; Baur, W. H.; Joswig, W.; Eichhorn, K.; Wendschuh-Josties, M.; Kupcik, V.","A test of the importance of weak reflections in resolving a space-group ambiguity involving the presence or absence of an inversion centre","Acta Crystallographica Section B","1993","49","4","646","654","10.1107/S010876819300309X","","","0.5607","Ag","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101020","7.989","0.001","16.543","0.002","11.416","0.001","90","","106.48","0.01","90","","1446.8","0.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 Ca Na2 O13 -","- C8 H12 Ca Na2 O13 -","- C32 H48 Ca4 Na8 O52 -","4","1","ST0595","Emge, T. J.; Oliver, J. D.; Connor, D. S.; Thoman, S. M.; Jason, M. E.","Structure of disodium monocalcium tartrate monosuccinate trihydrate, Na~2~(CaTMS).3H~2~O","Acta Crystallographica Section B","1993","49","4","675","679","10.1107/S0108768193000680","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101021","17.715","0.005","13.156","0.004","17.749","0.005","90","","112.22","0.03","90","","3829","2","22","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H37 Fe O3 P Sn -","- C47 H37 Fe O3 P Sn -","- C188 H148 Fe4 O12 P4 Sn4 -","4","1","ST0609","Gibson, D. H.; Richardson, J. F.; Mbadike, O. P.","1-Carbonyl-μ-carboxylato-1κ<i>C</i>:2κ<i>O</i>:2κ<i>O</i>'-1-η^5^-indenyl-2,2,2-triphenyl-1-(triphenylphosphine)irontin","Acta Crystallographica Section B","1993","49","4","784","786","10.1107/S0108768193005245","","","0.71073","MoKα","","","0.027","","","0.031","","","","","1.16","1.16","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101022","10.162","0.002","5.867","0.001","15.021","0.002","90","","90","0.01","90","","895.6","0.3","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- K3 Na O8 Se2 -","- K3 Na O8 Se2 -","- K12 Na4 O32 Se8 -","4","0.5","AL0550","Fábry, J.; Breczewski, T.; Petrícek, V.","Structure determination of the ferroelastic triple-twinned phase of K~3~Na(SeO~4~)~2~ at 291 K and its parent phase at 390 K","Acta Crystallographica Section B","1993","49","5","826","832","10.1107/S0108768193003702","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101023","5.906","0.003","5.906","0.001","7.552","0.002","90","","90","","120","","228.13","0.14","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","","","","","- K3 Na O8 Se2 -","- K3 Na O8 Se2 -","- K3 Na O8 Se2 -","1","0.0833333","AL0550","Fábry, J.; Breczewski, T.; Petrícek, V.","Structure determination of the ferroelastic triple-twinned phase of K~3~Na(SeO~4~)~2~ at 291 K and its parent phase at 390 K","Acta Crystallographica Section B","1993","49","5","826","832","10.1107/S0108768193003702","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101024","4.013","0.0006","4.013","0.0006","13.088","0.002","90","","90","","90","","210.78","0.04","","","","","","","","","","","","3","I 4/m m m","-I 4 2","","","","","- F4 K2 Ni -","- F4 K2 Ni -","- F8 K4 Ni2 -","2","0.0625","AS0627","Yeh, S. K.; Wu, S. Y.; Lee, C. S.; Wang, Y.","Electron-density distribution in a crystal of potassium tetrafluoronickelate, K~2~NiF~4~","Acta Crystallographica Section B","1993","49","5","806","811","10.1107/S0108768193003246","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101025","8.712","0.005","13.306","0.007","9.531","0.006","90","","96.51","0.05","90","","1097.7","1.1","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 Co N6 O4 -","- C19 H29 Co N6 O4 -","- C38 H58 Co2 N12 O8 -","2","1","AS0632","Takenaka, Y.; Kojima, Y.; Ohashi, Y.","Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(<i>S</i>)-1-cyanoethyl][(<i>S</i>)-phenylethylamine]cobaloxime","Acta Crystallographica Section B","1993","49","5","852","859","10.1107/S010876819300374X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101026","8.746","0.005","13.332","0.006","9.538","0.003","90","","96.6","0.03","90","","1104.8","0.9","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 Co N6 O4 -","- C19 H29 Co N6 O4 -","- C38 H58 Co2 N12 O8 -","2","1","AS0632","Takenaka, Y.; Kojima, Y.; Ohashi, Y.","Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(<i>S</i>)-1-cyanoethyl][(<i>S</i>)-phenylethylamine]cobaloxime","Acta Crystallographica Section B","1993","49","5","852","859","10.1107/S010876819300374X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101027","8.777","0.002","13.39","0.003","9.54","0.002","90","","96.79","0.03","90","","1113.3","0.4","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 Co N6 O4 -","- C19 H29 Co N6 O4 -","- C38 H58 Co2 N12 O8 -","2","1","AS0632","Takenaka, Y.; Kojima, Y.; Ohashi, Y.","Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(<i>S</i>)-1-cyanoethyl][(<i>S</i>)-phenylethylamine]cobaloxime","Acta Crystallographica Section B","1993","49","5","852","859","10.1107/S010876819300374X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101028","8.818","0.002","13.426","0.003","9.553","0.002","90","","96.93","0.02","90","","1122.7","0.4","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 Co N6 O4 -","- C19 H29 Co N6 O4 -","- C38 H58 Co2 N12 O8 -","2","1","AS0632","Takenaka, Y.; Kojima, Y.; Ohashi, Y.","Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(<i>S</i>)-1-cyanoethyl][(<i>S</i>)-phenylethylamine]cobaloxime","Acta Crystallographica Section B","1993","49","5","852","859","10.1107/S010876819300374X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101029","8.818","0.006","13.713","0.006","9.419","0.005","90","","98.8","0.08","90","","1125.5","1.1","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 Co N6 O4 -","- C19 H28 Co N6 O4 -","- C38 H56 Co2 N12 O8 -","2","1","AS0632","Takenaka, Y.; Kojima, Y.; Ohashi, Y.","Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(<i>S</i>)-1-cyanoethyl][(<i>S</i>)-phenylethylamine]cobaloxime","Acta Crystallographica Section B","1993","49","5","852","859","10.1107/S010876819300374X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","206195","2020-10-21","18:00:00",""
"2101030","16.783","0.005","10.739","0.003","6.826","0.004","90","","99.76","0.04","90","","1212.5","0.9","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H33 Co N6 O6 -","- C19 H33 Co N6 O6 -","- C38 H66 Co2 N12 O12 -","2","1","AS0632","Takenaka, Y.; Kojima, Y.; Ohashi, Y.","Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(<i>S</i>)-1-cyanoethyl][(<i>S</i>)-phenylethylamine]cobaloxime","Acta Crystallographica Section B","1993","49","5","852","859","10.1107/S010876819300374X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101031","16.938","0.006","10.758","0.004","6.848","0.005","90","","99.84","0.05","90","","1229.5","1.1","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H33 Co N6 O6 -","- C19 H33 Co N6 O6 -","- C38 H66 Co2 N12 O12 -","2","1","AS0632","Takenaka, Y.; Kojima, Y.; Ohashi, Y.","Crystalline-state reaction of cobaloxime complexes. 16. Two polymorphs of [(<i>S</i>)-1-cyanoethyl][(<i>S</i>)-phenylethylamine]cobaloxime","Acta Crystallographica Section B","1993","49","5","852","859","10.1107/S010876819300374X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101032","17.012","0.002","21.042","0.002","7.6465","0.0006","90","","90","","90","","2737.2","0.5","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C19 H16 O -","- C19 H16 O -","- C152 H128 O8 -","8","1","CR0438","Desiraju, G. R.; Kashino, S.; Coombs, M. M.; Glusker, J. P.","C‒H···O packing motifs in some cyclopenta[<i>a</i>]phenanthrenes","Acta Crystallographica Section B","1993","49","5","880","892","10.1107/S0108768193001703","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101033","3.589","0.008","3.589","0.008","4.9111","0.0014","90","","90","","120","","54.8","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","","","","","- Ca H2 O2 -","- Ca H4 O4 -","- Ca H4 O4 -","1","0.0833333","DU0369","Desgranges, L.; Grebille, D.; Calvarin, G.; Chevrier, G.; Floquet, N.; Niepce, J.-C.","Hydrogen thermal motion in calcium hydroxide: Ca(OH)~2~","Acta Crystallographica Section B","1993","49","5","812","817","10.1107/S0108768193003556","","neutron","0.833","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101034","11.741","0.006","16.155","0.005","25.895","0.007","90","","90","","90","","4912","3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C58 H47 N O12 -","- C58 H47 N O12 -","- C232 H188 N4 O48 -","4","1","HH0626","Forman, J. E.; Marsh, R. E.; Schaefer, W. P.; Dougherty, D. A.","Structure of a cyclophane host molecule","Acta Crystallographica Section B","1993","49","5","892","896","10.1107/S0108768193002435","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","194481","2020-10-21","18:00:00",""
"2101035","10.087","0.001","16.207","0.001","11.233","0.001","90","","107.64","0.01","90","","1750","0.3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C21 H17 Cl O4 -","- C21 H17 Cl O4 -","- C84 H68 Cl4 O16 -","4","1","HH0634","Chen, J.; Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.","Crystal structure correlations in the photochemistry of dimethyl 9-chloromethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section B","1993","49","5","905","909","10.1107/S0108768193004641","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101036","13.893","0.001","15.968","0.002","8.191","0.002","98.13","0.02","91.78","0.02","99.54","0.01","1771.2","0.5","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 Cl O4 -","- C21.5 H18.5 Cl O4 -","- C86 H74 Cl4 O16 -","4","2","HH0634","Chen, J.; Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.","Crystal structure correlations in the photochemistry of dimethyl 9-chloromethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section B","1993","49","5","905","909","10.1107/S0108768193004641","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2101037","14.777","0.001","8.581","0.001","15.192","0.001","90","","112.1","0.01","90","","1784.8","0.3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C21 H17 Cl O4 -","- C21 H17 Cl O4 -","- C84 H68 Cl4 O16 -","4","1","HH0634","Chen, J.; Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.","Crystal structure correlations in the photochemistry of dimethyl 9-chloromethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section B","1993","49","5","905","909","10.1107/S0108768193004641","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101038","9.393","0.002","12.666","0.002","6.061","0.001","90","","107.16","0.01","90","","689","0.2","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- Cu D20 N2 O14 S2 -","- N2 O14 S2 -","- N4 O28 S4 -","2","0.5","HL0025","Figgis, B. N.; Iversen, B. B.; Larson, F. K.; Reynolds, P. A.","<i>X</i>‒<i>N</i> study of the electron density in (ND~4~)~2~Cu(SO~4~)~2~.6D~2~O at 9 K: flexible radial functions are vital","Acta Crystallographica Section B","1993","49","5","794","806","10.1107/S0108768193002812","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101039","5.889","0.003","11.784","0.004","8.226","0.002","90","","90","","90","","570.9","0.4","","","","","","","","","","","","3","P b a m","-P 2 2ab","","","","","- O3 Pb Zr -","- O5.5 Pb Zr -","- O44 Pb8 Zr8 -","8","1","HU0418","Glazer, A. M.; Roleder, K.; Dec, J.","Structure and disorder in single-crystal lead zirconate, PbZrO~3~","Acta Crystallographica Section B","1993","49","5","846","852","10.1107/S0108768193005129","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101040","13.408","0.001","8.762","0.001","13.431","0.001","90","","117.5","0.01","90","","1399.6","0.3","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C72 H56 O12 -","4","1","LI0143","Kumar, V. A.; Venkatesan, K.","Studies on photochromism of a thermally stable fulgide in the crystalline state: X-ray crystallographic investigation of (<i>E</i>)-2-isopropylidene-3-(1-naphthylmethylene)succinic anhydride","Acta Crystallographica Section B","1993","49","5","896","900","10.1107/S0108768193002253","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101041","7.679","0.002","13.368","0.002","11.756","0.002","90","","92.62","0.02","90","","1205.5","0.4","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N2 O2 -","- C11 H16 N2 O2 -","- C44 H64 N8 O8 -","4","1","LI0144","Dastidar, P.; Guru Row, T. N.; Venkatesan, K.","Structural studies of `push–pull' butadienes","Acta Crystallographica Section B","1993","49","5","900","905","10.1107/S0108768193002265","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101042","8.833","0.001","9.419","0.002","9.52","0.001","106.77","0.01","93.14","0.01","109.61","0.01","704.2","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 S2 -","- C14 H12 N2 S2 -","- C28 H24 N4 S4 -","2","1","LI0144","Dastidar, P.; Guru Row, T. N.; Venkatesan, K.","Structural studies of `push–pull' butadienes","Acta Crystallographica Section B","1993","49","5","900","905","10.1107/S0108768193002265","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2101043","17.468","0.001","13.75","0.04","15.218","0.001","90","","125.49","0.01","90","","2976","9","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C128 H144 N16 O16 -","8","1","LI0144","Dastidar, P.; Guru Row, T. N.; Venkatesan, K.","Structural studies of `push‒pull' butadienes","Acta Crystallographica Section B","1993","49","5","900","905","10.1107/S0108768193002265","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101044","9.951","0.001","10.04","0.001","14.764","0.002","90","","98.67","0.01","90","","1458.2","0.3","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 S -","- C15 H15 N3 S -","- C60 H60 N12 S4 -","4","1","LI0144","Dastidar, P.; Guru Row, T. N.; Venkatesan, K.","Structural studies of `push–pull' butadienes","Acta Crystallographica Section B","1993","49","5","900","905","10.1107/S0108768193002265","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101045","10.1776","0.0005","10.1776","0.0005","2.9614","0.0002","90","","90","","90","","306.75","0.03","","","","","","","","","","","","3","I 4/m","-I 4","","","","","- K O16 Ti8 -","- K2 O16 Ti8 -","- K2 O16 Ti8 -","1","0.0625","OH1010","Sasaki, T.; Watanabe, M.; Fujiki, Y.","Structure of K~1.0~Ti~8~O~16~ and K~0.0~Ti~8~O~16~","Acta Crystallographica Section B","1993","49","5","838","841","10.1107/S0108768193004677","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101046","10.164","0.002","10.164","0.002","2.9631","0.0007","90","","90","","90","","306.11","0.11","","","","","","","","","","","","3","I 4/m","-I 4","","","","","- K0 O16 Ti8 -","- K2 O16 Ti8 -","- K2 O16 Ti8 -","1","0.0625","OH1010","Sasaki, T.; Watanabe, M.; Fujiki, Y.","Structure of K~1.0~Ti~8~O~16~ and K~0.0~Ti~8~O~16~","Acta Crystallographica Section B","1993","49","5","838","841","10.1107/S0108768193004677","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101047","14.4803","0.0001","14.4803","0.0001","14.4803","0.0001","90","","90","","90","","3036.22","0.04","","","","","","","","","","","","6","I -4 3 m","I -4 2 3","","","","","- Al12 Cs H44 N11 O96 Si36 -","- Cs12 N72 O96 Si48 -","- Cs12 N72 O96 Si48 -","1","0.0208333","SH0025","Bieniok, A.; Baur, W. H.","Phase transition of zeolite NH~4~-Rho to a high-temperature but low-volume form","Acta Crystallographica Section B","1993","49","5","817","822","10.1107/S0108768193003568","","","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101048","14.8168","0.0002","14.8168","0.0002","14.8168","0.0002","90","","90","","90","","3252.84","0.08","","","","","","","","","","","","6","I -4 3 m","I -4 2 3","","","","","- Al12 Cs H44 N11 O96 Si36 -","- Cs12 N12 O96 Si48 -","- Cs12 N12 O96 Si48 -","1","0.0208333","SH0025","Bieniok, A.; Baur, W. H.","Phase transition of zeolite NH~4~-Rho to a high-temperature but low-volume form","Acta Crystallographica Section B","1993","49","5","817","822","10.1107/S0108768193003568","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101049","6.386","","10.43","","3.798","","90","","90","","90","","252.97","","","","","","","","","","","","","2","C 2 2 2","C 2 2","","","","","- O8 W3 -","- O8 W3 -","- O16 W6 -","2","0.25","AB0311","Sundberg, M.; Zakharov, N. D.; Zibrov, I. P.; Barabanenkov, Yu. A.; Filonenko, V. P.; Werner, P.","Two high-pressure tungsten oxide structures of W~3~O~8~ stoichiometry deduced from high-resolution electron microscopy images","Acta Crystallographica Section B","1993","49","6","951","958","10.1107/S0108768193005701","","","0.71069","electron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101050","10.35","","13.99","","3.774","","90","","90","","90","","546.462","","","","","","","","","","","","","2","P 21 21 2","P 2 2ab","","","","","- O8 W3 -","- O8 W3 -","- O32 W12 -","4","1","AB0311","Sundberg, M.; Zakharov, N. D.; Zibrov, I. P.; Barabanenkov, Yu. A.; Filonenko, V. P.; Werner, P.","Two high-pressure tungsten oxide structures of W~3~O~8~ stoichiometry deduced from high-resolution electron microscopy images","Acta Crystallographica Section B","1993","49","6","951","958","10.1107/S0108768193005701","","","0.71069","electron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101051","20.2","0.02","4.91","0.002","12.054","0.009","90","","90.02","0.04","90","","1195.5","1.6","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","","","","","- C12 H8 Cl2 O2 S -","- C12 H8 Cl2 O2 S -","- C48 H32 Cl8 O8 S4 -","4","0.5","AL0558","Zúñiga, F. J.; Pérez-Mato, J. M.; Breczewski, T.","Structure of the incommensurate phase of 4,4'-dichlorobiphenyl sulfone at 90 K","Acta Crystallographica Section B","1993","49","6","1060","1068","10.1107/S0108768193008195","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101052","4.754","0.0005","4.754","0.0005","12.982","0.0006","90","","90","","120","","254.09","0.06","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","AS0628","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.; Satow, Y.","Synchrotron X-ray study of the electron density in α-Al~2~O~3~","Acta Crystallographica Section B","1993","49","6","973","980","10.1107/S0108768193006901","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","203286","2020-10-21","18:00:00",""
"2101053","4.754","0.0005","4.754","0.0005","12.982","0.0006","90","","90","","120","","254.09","0.06","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","AS0628","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.; Satow, Y.","Synchrotron X-ray study of the electron density in α-Al~2~O~3~","Acta Crystallographica Section B","1993","49","6","973","980","10.1107/S0108768193006901","","","0.6991","electron","","","","","","","","","","","","","","","","","has coordinates","203286","2020-10-21","18:00:00",""
"2101054","4.754","0.0005","4.754","0.0005","12.982","0.0006","90","","90","","120","","254.09","0.06","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","AS0628","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.; Satow, Y.","Synchrotron X-ray study of the electron density in α-Al~2~O~3~","Acta Crystallographica Section B","1993","49","6","973","980","10.1107/S0108768193006901","","","0.9","electron","","","","","","","","","","","","","","","","","has coordinates","203286","2020-10-21","18:00:00",""
"2101055","4.754","0.0005","4.754","0.0005","12.982","0.0006","90","","90","","120","","254.09","0.06","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","AS0628","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.; Satow, Y.","Synchrotron X-ray study of the electron density in α-Al~2~O~3~","Acta Crystallographica Section B","1993","49","6","973","980","10.1107/S0108768193006901","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","203286","2020-10-21","18:00:00",""
"2101056","4.754","0.0005","4.754","0.0005","12.982","0.0006","90","","90","","120","","254.09","0.06","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","AS0628","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N.; Satow, Y.","Synchrotron X-ray study of the electron density in α-Al~2~O~3~","Acta Crystallographica Section B","1993","49","6","973","980","10.1107/S0108768193006901","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","203286","2020-10-21","18:00:00",""
"2101057","4.635","0.001","4.635","0.001","15.023","0.002","90","","90","","120","","279.5","0.09","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","","","","","- C Mg O3 -","- C Mg O3 -","- C6 Mg6 O18 -","6","0.166667","AS0629","Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.","X-ray study of the electron density in magnesite MgCO~3~","Acta Crystallographica Section B","1993","49","6","980","984","10.1107/S0108768193006615","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101058","10.941","0.002","5.3813","0.0005","5.6684","0.0004","90","","92.116","0.008","90","","333.51","0.07","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 N2 O4 -","- C6 H4 N2 O4 -","- C12 H8 N4 O8 -","2","0.5","AS0633","Tonogaki, M.; Kawata, T.; Ohba, S.; Iwata, Y.; Shibuya, I.","Electron-density distribution in crystals of <i>p</i>-nitrobenzene derivatives","Acta Crystallographica Section B","1993","49","6","1031","1039","10.1107/S0108768193005130","","","0.70926","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101059","12.857","0.001","5.0272","0.0002","20.997","0.002","90","","97.072","0.008","90","","1346.81","0.18","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C56 H40 N8 O32 -","8","1","AS0633","Tonogaki, M.; Kawata, T.; Ohba, S.; Iwata, Y.; Shibuya, I.","Electron-density distribution in crystals of <i>p</i>-nitrobenzene derivatives","Acta Crystallographica Section B","1993","49","6","1031","1039","10.1107/S0108768193005130","","","0.70926","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101060","7.393","0.002","6.8005","0.0009","13.814","0.002","90","","90.88","0.01","90","","694.4","0.2","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C7 H6 N2 O3 -","- C7 H6 N2 O3 -","- C28 H24 N8 O12 -","4","1","AS0633","Tonogaki, M.; Kawata, T.; Ohba, S.; Iwata, Y.; Shibuya, I.","Electron-density distribution in crystals of <i>p</i>-nitrobenzene derivatives","Acta Crystallographica Section B","1993","49","6","1031","1039","10.1107/S0108768193005130","","","0.70926","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101061","6.2336","0.0006","4.8377","0.0005","24.352","0.002","90","","94.87","0.08","90","","731.71","0.15","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C7 H5 N2 O3 -","- C7 H6 N2 O3 -","- C28 H24 N8 O12 -","4","1","AS0633","Tonogaki, M.; Kawata, T.; Ohba, S.; Iwata, Y.; Shibuya, I.","Electron-density distribution in crystals of <i>p</i>-nitrobenzene derivatives","Acta Crystallographica Section B","1993","49","6","1031","1039","10.1107/S0108768193005130","","","0.70926","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101062","12.122","0.002","6.0276","0.0009","8.487","0.001","90","","92.72","0.01","90","","619.42","0.16","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","1","AS0633","Tonogaki, M.; Kawata, T.; Ohba, S.; Iwata, Y.; Shibuya, I.","Electron-density distribution in crystals of <i>p</i>-nitrobenzene derivatives","Acta Crystallographica Section B","1993","49","6","1031","1039","10.1107/S0108768193005130","","","0.70926","Mo","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101063","11.723","0.002","15.658","0.003","11.118","0.002","98.71","0.02","90.17","0.04","98.52","0.03","1994.3","0.7","","","","","","","","","","","","5","P 1","P 1","1","","","","- C15 H27 Co N6 O4 -","- C15 Co N6 O4 -","- C60 Co4 N24 O16 -","4","4","AS0637","Takenaka, Y.; Ohashi, Y.; Tamura, T.; Uchida, A.; Sasada, Y.","Three polymorphs of (<i>rac</i>-1-cyanoethyl)(pyrrolidine)cobaloxime","Acta Crystallographica Section B","1993","49","6","1015","1020","10.1107/S0108768193007347","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","278201","2022-09-27","00:27:37",""
"2101064","16.621","0.002","18.803","0.002","9.155","0.001","90","","105.03","0.02","90","","2763.3","0.6","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C24 H36 Co N6 O4 -","- C25 H38 Co N6 O4 -","- C100 H152 Co4 N24 O16 -","4","1","AS0637","Takenaka, Y.; Ohashi, Y.; Tamura, T.; Uchida, A.; Sasada, Y.","Three polymorphs of (<i>rac</i>-1-cyanoethyl)(pyrrolidine)cobaloxime","Acta Crystallographica Section B","1993","49","6","1015","1020","10.1107/S0108768193007347","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101065","9.125","0.001","15.82","0.002","9.348","0.001","90","","102.57","0.01","90","","1317.1","0.3","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H34 Co N5 O8 -","- C22 H34 Co N5 O8 -","- C44 H68 Co2 N10 O16 -","2","1","AS0638","Sakai, Y.; Ohashi, Y.; Yamanaka, M.; Kobayashi, Y.; Arai, Y.; Ohgo, Y.","Crystalline-state reaction of cobaloxime complexes. 17. Requirements for racemization of the bulky dimethoxycarbonylethyl group","Acta Crystallographica Section B","1993","49","6","1010","1014","10.1107/S0108768193007104","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101066","9.803","0.003","15.554","0.003","9.267","0.003","90","","117.24","0.02","90","","1256.3","0.7","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H36 Co N5 O9 -","- C18 H36 Co N5 O9 -","- C36 H72 Co2 N10 O18 -","2","1","AS0638","Sakai, Y.; Ohashi, Y.; Yamanaka, M.; Kobayashi, Y.; Arai, Y.; Ohgo, Y.","Crystalline-state reaction of cobaloxime complexes. 17. Requirements for racemization of the bulky dimethoxycarbonylethyl group","Acta Crystallographica Section B","1993","49","6","1010","1014","10.1107/S0108768193007104","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2101067","9.0985","0.0005","5.4154","0.0003","30.235","0.002","90","","101.233","0.001","90","","1461.2","0.15","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C12 H10 O6 P2 Zr -","- C12 O6 P2 Zr -","- C48 O24 P8 Zr4 -","4","0.5","CR0443","Poojary, M. D.; Hu, H.-L.; Campbell, III, F. L.; Clearfield, A.","Determination of crystal structures from limited powder data sets: crystal structure of zirconium phenylphosphonate","Acta Crystallographica Section B","1993","49","6","996","1001","10.1107/S0108768193006937","","","1.3087","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101068","18.364","0.004","10.485","0.003","9.031","0.004","90","","90","","90","","1738.9","1","","","","","","","","","","","","3","P n a 21","P 2c -2n","","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","1","HH0633","Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.","Cyclooctatetraene formation in the photolyses of dibenzobarrelene diesters","Acta Crystallographica Section B","1993","49","6","1049","1052","10.1107/S0108768193006196","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101069","9.121","0.001","20.486","0.001","10.028","0.001","90","","100.91","0.01","90","","1839.9","0.3","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","HH0633","Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.","Cyclooctatetraene formation in the photolyses of dibenzobarrelene diesters","Acta Crystallographica Section B","1993","49","6","1049","1052","10.1107/S0108768193006196","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2101070","8.2455","0.0004","5.0866","0.0003","10.3659","0.0005","90","","90","","90","","434.76","0.04","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au Ce Cu5 -","- Au Ce Cu5 -","- Au4 Ce4 Cu20 -","4","0.5","SE0121","Ruck, M.; Portisch, G.; Schlager, H. G.; Sieck, M.; Löhneysen, H. v.","Structure and electrical resistivity of the heavy fermion compound CeCu~5~Au","Acta Crystallographica Section B","1993","49","6","936","941","10.1107/S0108768193005233","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""
"2101071","12.255","0.017","12.866","0.014","12.522","0.012","90","","100.53","0.09","90","","1941","4","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 P6 S5 -","- C8 H18 P6 S5 -","- C32 H72 P24 S20 -","4","1","SE0124","Blachnik, R.; Lönnecke, P.; Engelen, B.; Boldt, K.","P~6~S~5~(C~4~H~9~)~2~, the first organophosphorus chalcogen molecule with a brexane skeleton","Acta Crystallographica Section B","1993","49","6","1053","1055","10.1107/S0108768193007621","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101072","3.785","0.001","6.845","0.001","14.485","0.002","100.79","0.01","97.6","0.01","80.91","0.01","361.97","0.12","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 Cl2 N2 O2 -","- C18 H10 Cl2 N2 O2 -","- C18 H10 Cl2 N2 O2 -","1","0.5","SH0037","Mizuguchi, J.; Grubenmann, A.; Rihs, G.","Structures of 3,6-bis(3-chlorophenyl)pyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione and 3,6-bis(4-chlorophenyl)pyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione","Acta Crystallographica Section B","1993","49","6","1056","1060","10.1107/S0108768193007645","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2101073","5.658","0.001","23.099","0.003","5.585","0.001","90","","99.07","0.01","90","","720.8","0.2","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Cl2 N2 O2 -","- C18 H10 Cl2 N2 O2 -","- C36 H20 Cl4 N4 O4 -","2","0.5","SH0037","Mizuguchi, J.; Grubenmann, A.; Rihs, G.","Structures of 3,6-bis(3-chlorophenyl)pyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione and 3,6-bis(4-chlorophenyl)pyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione","Acta Crystallographica Section B","1993","49","6","1056","1060","10.1107/S0108768193007645","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:54",""
"2106880","10.58","","10.58","","10.58","","90","","90","","90","","1184.29","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- Ho2 O3 -","- Ho2 O3 -","- Ho32 O48 -","16","0.333333","","Bartos, A.; Lieb, K.P.; Wiarda, D.; Uhrmacher, M.","Refinement of atomic positions in bixbyite oxides using perturbed angular correlation spectroscopy","Acta Crystallographica B (39,1983-)","1993","49","","165","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106881","10.79","","10.79","","10.79","","90","","90","","90","","1256.22","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- Gd2 O3 -","- Gd2 O3 -","- Gd32 O48 -","16","0.333333","","Bartos, A.; Lieb, K.P.; Uhrmacher, M.; Wiarda, D.","Refinement of atomic positions in bixbyite oxides using perturbed angular correlation spectroscopy","Acta Crystallographica B (39,1983-)","1993","49","","165","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106928","6.646","","6.646","","5.226","","90","","90","","120","","199.904","","","","","","","","","","","","","1","P 3 1 c","P 3 -2c","159","","(Sr1.145 Ti S3).873","","- Sr -","- Sr -","- Sr6 -","6","1","","Onoda, M.; Saeki, M.; Yamamoto, A.; Kato, K.","Structure refinement of the incommensurate composite crystal Sr1.145 Ta S3 through the Rietveld analysis process","Acta Crystallographica B (39,1983-)","1993","49","","929","936","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106934","3.421","","5.97","","24.341","","90","","90","","90","","497.125","","","","","","","","","","","","","2","F m 2 m","F -2 -2","42","","(Bi Se)1.09 Ta Se2","","- Se2 Ta -","- Se2 Ta -","- Se8 Ta4 -","4","0.25","","Petricek, V.; Cisarova, I.; de Boer, J.L.; Zhou, W.; Meetsma, A.; Wiegers, A.; van Smaalen, S.","The modulated structure of the commensurate misfit-layer (Bi Se)1.09 Ta Se2","Acta Crystallographica B (39,1983-)","1993","49","","258","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","208256","2020-10-21","18:00:00",""
"2106935","3.135","","2.984","","12.174","","90","","90","","90","","113.886","","","","","","","","","","","","","2","P m 2 m","P -2 -2","25","","((Bi Se)1.09 Ta Se2).917","","- Bi Se -","- Bi Se -","- Bi Se -","1","0.25","","Petricek, V.; Cisarova, I.; de Boer, J.L.; van Smaalen, S.; Meetsma, A.; Zhou, W.; Wiegers, A.","The modulated structure of the commensurate misfit-layer (Bi Se)1.09 Ta Se2","Acta Crystallographica B (39,1983-)","1993","49","","258","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000038","5.1291","0.0008","5.1291","0.0008","5.1291","0.0008","90","","90","","90","","134.9","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Zirconium oxide (1/2.12)","Arkelite","- O2 Zr -","- O2.12 Zr -","- O8.48 Zr4 -","4","0.0208333","","Martin, U; Boysen, H; Frey, F","Neutron powder investigation of tetragonal and cubic stabilized zirconia, TZP and CSZ, at temperatures up to 1400 K","Acta Crystallographica Section B","1993","49","3","403","413","10.1107/S0108768192011297","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","201983","2020-10-21","18:00:00",""
"9011278","7.189","","4.407","","5.069","","90","","89.96","","90","","160.596","","","","","","","","100","","","","Synthetic","2","C 1 2/m 1","-C 2y","12","","","Calaverite","- Au Te2 -","- Au Te2 -","- Au2 Te4 -","2","0.25","","Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.","High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.0001 GPa","Acta Crystallographica, Section B","1993","49","1","6","11","10.1107/S0108768192007286","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011279","7.189","","4.407","","5.069","","90","","89.96","","90","","160.596","","","","","","","","","","","","Synthetic","2","C 1 2/m 1","-C 2y","12","","","Calaverite","- Au Te2 -","- Au Te2 -","- Au2 Te4 -","2","0.25","","Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.","High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = <0.5 GPa","Acta Crystallographica, Section B","1993","49","1","6","11","10.1107/S0108768192007286","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011280","7.171","","4.385","","5.064","","90","","90.04","","90","","159.237","","","","","","","","410000","","","","Synthetic","2","C 1 2/m 1","-C 2y","12","","","Calaverite","- Au Te2 -","- Au Te2 -","- Au2 Te4 -","2","0.25","","Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.","High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.41 GPa","Acta Crystallographica, Section B","1993","49","1","6","11","10.1107/S0108768192007286","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011281","7.164","","4.371","","5.064","","90","","90","","90","","158.573","","","","","","","","630000","","","","Synthetic","2","C 1 2/m 1","-C 2y","12","","","Calaverite","- Au Te2 -","- Au Te2 -","- Au2 Te4 -","2","0.25","","Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.","High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 0.63 GPa","Acta Crystallographica, Section B","1993","49","1","6","11","10.1107/S0108768192007286","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011282","7.129","","4.314","","5.036","","90","","90.15","","90","","154.879","","","","","","","","1630000","","","","Synthetic","2","C 1 2/m 1","-C 2y","12","","","Calaverite","- Au Te2 -","- Au Te2 -","- Au2 Te4 -","2","0.25","","Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.","High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.63 GPa","Acta Crystallographica, Section B","1993","49","1","6","11","10.1107/S0108768192007286","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011283","7.11","","4.29","","5.05","","90","","90.3","","90","","154.032","","","","","","","","1780000","","","","Synthetic","2","C 1 2/m 1","-C 2y","12","","","Calaverite","- Au Te2 -","- Au Te2 -","- Au2 Te4 -","2","0.25","","Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.","High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.78 GPa","Acta Crystallographica, Section B","1993","49","1","6","11","10.1107/S0108768192007286","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011284","7.1","","4.286","","5.029","","90","","90.3","","90","","153.033","","","","","","","","1890000","","","","Synthetic","2","C 1 2/m 1","-C 2y","12","","","Calaverite","- Au Te2 -","- Au Te2 -","- Au2 Te4 -","2","0.25","","Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.","High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 1.89 GPa","Acta Crystallographica, Section B","1993","49","1","6","11","10.1107/S0108768192007286","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011285","7.1","","4.221","","5.029","","90","","90.4","","90","","150.711","","","","","","","","2400000","","","","Synthetic","2","C 1 2/m 1","-C 2y","12","","","Calaverite","- Au Te2 -","- Au Te2 -","- Au2 Te4 -","2","0.25","","Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.","High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 2.40 GPa","Acta Crystallographica, Section B","1993","49","1","6","11","10.1107/S0108768192007286","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011286","4.1","","4.1","","5.021","","90","","90","","120","","73.095","","","","","","","","3720000","","","","Synthetic","2","P -3 m 1","-P 3 2""","164","","","Calaverite","- Au Te2 -","- Au Te2 -","- Au Te2 -","1","0.0833333","","Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.","High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 3.72 GPa","Acta Crystallographica, Section B","1993","49","1","6","11","10.1107/S0108768192007286","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011287","4.078","","4.078","","5","","90","","90","","120","","72.01","","","","","","","","5130000","","","","Synthetic","2","P -3 m 1","-P 3 2""","164","","","Calaverite","- Au Te2 -","- Au Te2 -","- Au Te2 -","1","0.0833333","","Reithmayer, K.; Steurer, W.; Schulz, H.; de Boer, J. L.","High-pressure single-crystal structure study on calaverite, AuTe2 Sample: P = 5.13 GPa","Acta Crystallographica, Section B","1993","49","1","6","11","10.1107/S0108768192007286","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011288","6.7778","","6.7778","","18.176","","90","","90","","90","","834.979","","","","25","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","Retgersite","- H12 Ni O10 S -","- H12 Ni O10 S -","- H48 Ni4 O40 S4 -","4","0.5","","Ptasiewicz-Bak H; Olovsson, I.; McIntyre, G. J.","Bonding deformation and superposition in the electron density of tetragonal NiSO4*6H2O at 25K Sample: T = 25 K, neutron refinement Note: anisoU's from ICSD","Acta Crystallographica, Section B","1993","49","2","192","201","10.1107/S0108768192009583","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:22",""
"9011289","6.7778","","6.7778","","18.176","","90","","90","","90","","834.979","","","","25","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","Retgersite","- Ni O10 S -","- Ni O10 S -","- Ni4 O40 S4 -","4","0.5","","Ptasiewicz-Bak H; Olovsson, I.; McIntyre, G. J.","Bonding deformation and superposition in the electron density of tetragonal NiSO4*6H2O at 25K Sample: T = 25 K, X-ray refinement","Acta Crystallographica, Section B","1993","49","2","192","201","10.1107/S0108768192009583","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9011290","8.1419","","8.1419","","8.1419","","90","","90","","90","","539.731","","","","","","","","","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Hieratite","- F6 K2 Si -","- F6 K2 Si -","- F24 K8 Si4 -","4","0.0208333","","Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y.","Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6 Sample: .9 angstroms","Acta Crystallographica, Section B","1993","49","6","967","973","10.1107/S0108768193005725","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011291","8.1419","","8.1419","","8.1419","","90","","90","","90","","539.731","","","","","","","","","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Hieratite","- F6 K2 Si -","- F6 K2 Si -","- F24 K8 Si4 -","4","0.0208333","","Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y.","Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6 Sample: .7 angstroms","Acta Crystallographica, Section B","1993","49","6","967","973","10.1107/S0108768193005725","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011292","8.1419","","8.1419","","8.1419","","90","","90","","90","","539.731","","","","","","","","","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Hieratite","- F6 K2 Si -","- F6 K2 Si -","- F24 K8 Si4 -","4","0.0208333","","Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y.","Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6 Sample: Mo K-alpha","Acta Crystallographica, Section B","1993","49","6","967","973","10.1107/S0108768193005725","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011293","8.1419","","8.1419","","8.1419","","90","","90","","90","","539.731","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl6 K2 Pd -","- Cl6 K2 Pd -","- Cl24 K8 Pd4 -","4","0.0208333","","Hester, J. R.; Maslen, E. N.; Spadaccini, N.; Ishizawa, N.; Satow, Y.","Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6","Acta Crystallographica, Section B","1993","49","6","967","973","10.1107/S0108768193005725","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""