# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-11T12:08:59+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica, Section B: Structural Science') AND volume = 60 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
"2102215","14.027","0.001","14.027","0.001","7.088","0.001","90","","90","","120","","1207.8","0.2","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C36 H54 N18 O18 -","6","0.333333","BK5003","Fridman, Natalya; Kapon, Moshe; Sheynin, Yana; Kaftory, Menahem","Different packing in three polymorphs of 2,4,6-trimethoxy-1,3,5-triazine","Acta Crystallographica Section B","2004","60","1","97","102","10.1107/S0108768103026284","","","0.71073","MoKα","","0.0379","0.032","","","0.0801","0.0818","","","","","","1.117","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102216","8.4484","0.0008","8.4322","0.0008","19.404","0.002","90","","90.539","0.007","90","","1382.3","0.2","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 Cl2 Fe N12 O8 -","- C20 H16 Cl2 Fe N12 O8 -","- C40 H32 Cl4 Fe2 N24 O16 -","2","1","BM5003","Money, Victoria A.; Radosavljevic Evans, Ivana; Elhaïk, Jerome; Halcrow, Malcolm A.; Howard, Judith A. K.","An X-ray powder diffraction study of the spin-crossover transition and structure of bis(2,6-dipyrazol-1-ylpyrazine)iron(II) perchlorate","Acta Crystallographica Section B","2004","60","1","41","45","10.1107/S0108768103027897","","","","","","","","","","","","","","3.58","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102217","10.1367","0.0003","10.1367","0.0003","11.705","0.0003","90","","90","","120","","1041.59","0.05","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","?","- Mo12 O48 Zr6 -","- Mo12 O48 Zr6 -","","","BM5004","Simon Allen; Rebecca Ward; Matthew Hampson; Richard K B Gover; John S O Evans","Structures and phase transitions of trigonal ZrMo~2~O~8~ and HfMo~2~O~8~","Acta Crystallographica Section B","2004","60","1","32","40","10.1107/S0108768103025138","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102218","10.1043","0.0003","10.1043","0.0003","11.732","0.0003","90","","90","","120","","1037.33","0.05","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","?","- Hf6 Mo12 O48 -","- Hf6 Mo12 O48 -","","","BM5004","Simon Allen; Rebecca Ward; Matthew Hampson; Richard K B Gover; John S O Evans","Structures and phase transitions of trigonal ZrMo~2~O~8~ and HfMo~2~O~8~","Acta Crystallographica Section B","2004","60","1","32","40","10.1107/S0108768103025138","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102219","5.846","0.0003","5.846","0.0003","5.9941","0.0003","90","","90","","120","","177.408","0.016","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","?","- Mo2 O8 Zr -","- Mo2 O8 Zr -","","","BM5004","Simon Allen; Rebecca Ward; Matthew Hampson; Richard K B Gover; John S O Evans","Structures and phase transitions of trigonal ZrMo~2~O~8~ and HfMo~2~O~8~","Acta Crystallographica Section B","2004","60","1","32","40","10.1107/S0108768103025138","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102220","12.1473","0.0004","9.8811","0.0003","11.4068","0.0003","90","","96.649","0.0001","90","","1359.93","0.07","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Amino-4,6-bis(piperidino)pyrimidine","","- C14 H23 N5 -","- C14 H23 N5 -","- C56 H92 N20 -","4","1","NA5007","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Low, John N.; Glidewell, Christopher","Symmetrically 4,6-disubstituted 2-aminopyrimidines and 2-amino-5-nitrosopyrimidines: interplay of molecular, molecular–electronic and supramolecular structures","Acta Crystallographica Section B","2004","60","1","76","89","10.1107/S0108768103024856","","","0.71073","MoKα","","0.0776","0.0494","","","0.1142","0.1281","","","","","","1.024","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102221","11.3545","0.0003","12.7528","0.0004","16.9511","0.0006","70.038","0.001","73.206","0.001","79.626","0.001","2199.62","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4,6-bis(3-pyridylmethoxy)pyrimidine","","- C16 H15 N5 O2 -","- C16 H15 N5 O2 -","- C96 H90 N30 O12 -","6","3","NA5007","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Low, John N.; Glidewell, Christopher","Symmetrically 4,6-disubstituted 2-aminopyrimidines and 2-amino-5-nitrosopyrimidines: interplay of molecular, molecular–electronic and supramolecular structures","Acta Crystallographica Section B","2004","60","1","76","89","10.1107/S0108768103024856","","","0.71073","MoKα","","0.1668","0.0583","","","0.114","0.148","","","","","","0.899","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102222","13.0037","0.0004","9.113","0.0003","12.4892","0.0003","90","","112.34","0.0012","90","","1368.92","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4,6-bis(morpholino)-5-nitrosopirimidine","","- C12 H18 N6 O3 -","- C12 H18 N6 O3 -","- C48 H72 N24 O12 -","4","1","NA5007","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Low, John N.; Glidewell, Christopher","Symmetrically 4,6-disubstituted 2-aminopyrimidines and 2-amino-5-nitrosopyrimidines: interplay of molecular, molecular‒electronic and supramolecular structures","Acta Crystallographica Section B","2004","60","1","76","89","10.1107/S0108768103024856","","","0.71073","MoKα","","0.0603","0.0426","","","0.1053","0.1141","","","","","","1.038","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102223","12.9416","0.0001","6.6816","0.0003","20.0033","0.0005","90","","113.302","0.0012","90","","1588.61","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4,6-bis(benzylamino)-5-nitrosopyrimidine","","- C18 H18 N6 O -","- C18 H18 N6 O -","- C72 H72 N24 O4 -","4","1","NA5007","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Low, John N.; Glidewell, Christopher","Symmetrically 4,6-disubstituted 2-aminopyrimidines and 2-amino-5-nitrosopyrimidines: interplay of molecular, molecular–electronic and supramolecular structures","Acta Crystallographica Section B","2004","60","1","76","89","10.1107/S0108768103024856","","","0.71073","MoKα","","0.0799","0.0455","","","0.1059","0.1195","","","","","","1.013","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102224","6.881","0.002","9.14","0.003","24.4636","0.001","90","","90","","90","","1538.6","0.7","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Amino-5-nitroso-4,6-bis(3-pyridylmethoxy)pyrimidine","","- C16 H14 N6 O3 -","- C16 H14 N6 O3 -","- C64 H56 N24 O12 -","4","1","NA5007","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Low, John N.; Glidewell, Christopher","Symmetrically 4,6-disubstituted 2-aminopyrimidines and 2-amino-5-nitrosopyrimidines: interplay of molecular, molecular–electronic and supramolecular structures","Acta Crystallographica Section B","2004","60","1","76","89","10.1107/S0108768103024856","","","0.71073","MoKα","","0.0922","0.0487","","","0.0882","0.1003","","","","","","1.004","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102225","9.6487","0.0001","14.8594","0.0002","7.3497","0.0002","90","","101.097","0.001","90","","1034.05","0.03","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4,6-bis(2-hydroxyethylamino)-5-nitrosopyrimidine","","- C8 H14 N6 O3 -","- C8 H14 N6 O3 -","- C32 H56 N24 O12 -","4","1","NA5007","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Low, John N.; Glidewell, Christopher","Symmetrically 4,6-disubstituted 2-aminopyrimidines and 2-amino-5-nitrosopyrimidines: interplay of molecular, molecular–electronic and supramolecular structures","Acta Crystallographica Section B","2004","60","1","76","89","10.1107/S0108768103024856","","","0.71073","MoKα","","0.078","0.0656","","","0.169","0.1804","","","","","","1.039","","","","has coordinates,has disorder","301802","2025-08-19","10:18:47",""
"2102226","8.8604","0.0002","6.8025","0.0001","27.8239","0.0006","90","","91.044","0.001","90","","1676.75","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cyclam/adamantane-1-carboxylic acid/water (1/2/4)","","- C32 H64 N4 O8 -","- C32 H64 N4 O8 -","- C64 H128 N8 O16 -","2","0.5","NA5008","Zakaria, Choudhury M.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Adducts of 1,4,8,11-tetraazacyclotetradecane with carboxylic acids: hydrogen-bonded supramolecular structures in two or three dimensions","Acta Crystallographica Section B","2004","60","1","65","75","10.1107/S0108768103026739","","","0.71073","MoKα","","0.0646","0.0453","","","0.1128","0.124","","","","","","1.045","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102227","19.6462","0.0008","9.0374","0.0004","15.2051","0.0007","90","","94.127","0.002","90","","2692.7","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cyclam/4-aminobenzoic acid/water (1/2/1)","","- C24 H40 N6 O5 -","- C24 H40 N6 O5 -","- C96 H160 N24 O20 -","4","0.5","NA5008","Zakaria, Choudhury M.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Adducts of 1,4,8,11-tetraazacyclotetradecane with carboxylic acids: hydrogen-bonded supramolecular structures in two or three dimensions","Acta Crystallographica Section B","2004","60","1","65","75","10.1107/S0108768103026739","","","0.71073","MoKα","","0.075","0.0473","","","0.1042","0.1172","","","","","","1.069","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102228","9.149","0.0002","12.8557","0.0004","12.4022","0.0004","90","","113.854","0.0019","90","","1334.1","0.07","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","Cyclam/3-hydroxybenzoic acid/water (1/2/2)","","- C24 H40 N4 O8 -","- C24 H40 N4 O8 -","- C48 H80 N8 O16 -","2","1","NA5008","Zakaria, Choudhury M.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Adducts of 1,4,8,11-tetraazacyclotetradecane with carboxylic acids: hydrogen-bonded supramolecular structures in two or three dimensions","Acta Crystallographica Section B","2004","60","1","65","75","10.1107/S0108768103026739","","","0.71073","MoKα","","0.0459","0.0373","","","0.0981","0.1054","","","","","","0.964","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102229","9.7666","0.0003","13.9931","0.0006","15.9476","0.0006","90","","102.28","0.002","90","","2129.61","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cyclam/5-hydroxyisophthalic acid/methanol (1/1/1)","","- C19 H34 N4 O6 -","- C19 H34 N4 O6 -","- C76 H136 N16 O24 -","4","1","NA5008","Zakaria, Choudhury M.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Adducts of 1,4,8,11-tetraazacyclotetradecane with carboxylic acids: hydrogen-bonded supramolecular structures in two or three dimensions","Acta Crystallographica Section B","2004","60","1","65","75","10.1107/S0108768103026739","","","0.71073","MoKα","","0.1093","0.0613","","","0.1601","0.1929","","","","","","1.053","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102230","7.454","0.0007","7.6148","0.0011","12.5939","0.0017","95.85","0.006","97.04","0.008","110.038","0.008","658.52","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H32 Ca N10 O16 -","- C14 H32 Ca N10 O16 -","- C14 H32 Ca N10 O16 -","1","0.5","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.1647","0.0566","","","0.1128","0.1496","","","","","","0.903","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102231","24.9613","0.0004","6.9157","0.0001","14.6427","0.0002","90","","93.149","0.001","90","","2523.88","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 Ba N10 O14 -","- C14 H28 Ba N10 O14 -","- C56 H112 Ba4 N40 O56 -","4","1","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.0828","0.0784","","","0.2058","0.2076","","","","","","1.187","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102232","30.2259","0.0011","6.4043","0.0002","7.3667","0.0003","90","","94.61","0.002","90","","1421.4","0.09","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H36 Ca N10 O16 -","- C18 H36 Ca N10 O16 -","- C36 H72 Ca2 N20 O32 -","2","0.5","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.0785","0.0485","","","0.0872","0.096","","","","","","1.025","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102233","30.642","0.0005","6.4888","0.0001","7.3733","0.0001","90","","94.4319","0.0009","90","","1461.65","0.04","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H36 N10 O16 Sr -","- C18 H36 N10 O16 Sr -","- C36 H72 N20 O32 Sr2 -","2","0.5","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.0282","0.0279","","","0.0688","0.069","","","","","","1.044","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102234","7.1387","0.0002","7.4974","0.0002","13.5644","0.0004","99.504","0.0009","94.308","0.001","99.6","0.0016","702.05","0.03","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H33.592 Ba N10 O17 -","- C16 H33.592 Ba N10 O17 -","- C16 H33.592 Ba N10 O17 -","1","1","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.0311","0.0303","","","0.0698","0.0749","","","","","","1.014","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102235","12.9517","0.0003","7.702","0.0002","26.5416","0.0007","90","","97.277","0.0012","90","","2626.3","0.11","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 N12 O14 Sr -","- C18 H30 N12 O14 Sr -","- C72 H120 N48 O56 Sr4 -","4","0.5","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.0681","0.0486","","","0.126","0.1344","","","","","","1.045","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102236","13.3918","0.0003","7.4669","0.0002","28.8211","0.0007","90","","103.131","0.001","90","","2806.62","0.12","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) glycylglycinato] diaquabariuium:","","- C18 H30 Ba N12 O14 -","- C18 H30 Ba N12 O14 -","- C72 H120 Ba4 N48 O56 -","4","0.5","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.0382","0.0336","","","0.0834","0.0847","","","","","","1.236","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102237","7.5557","0.0003","13.9726","0.0006","29.4179","0.0012","90","","91.803","0.002","90","","3104.2","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H80.246 Ca2 N20 O28.123 -","- C40 H80 Ca2 N20 O28.123 -","- C80 H160 Ca4 N40 O56.246 -","2","1","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.0402","0.0366","","","0.0832","0.0845","","","","","","1.053","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102238","21.6978","0.0002","21.6978","0.0002","7.4057","0.0001","90","","90","","90","","3486.56","0.07","120","2","120","2","","","","","","","","6","P 43","P 4cw","78","","","","- C20 H42 Ba N10 O15 S2 -","- C20 H42 Ba N10 O15 S2 -","- C80 H168 Ba4 N40 O60 S8 -","4","1","NA5011","Godino Salido, M. Luz; Arranz Mascarós, Paloma; López Garzón, Rafael; Gutiérrez Valero, M. Dolores; Low, John N.; Gallagher, John F.; Glidewell, Christopher","Hydrated metal(II) complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, glycylglycine, threonine, serine, valine and methionine: a monomeric complex and coordination polymers in one, two and three dimensions linked by hydrogen bonding","Acta Crystallographica Section B","2004","60","1","46","64","10.1107/S0108768103029136","","","0.71073","MoKα","","0.0393","0.0359","","","0.0864","0.0885","","","","","","1.048","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102239","12.562","0.009","16.156","0.005","21.086","0.008","90","","90","0.003","90","","4279","4","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N,N'-monotiooxalyl-bis(L-leucine methyl ester)","","- C16 H28 N2 O5 S -","- C16 H28 N2 O5 S -","- C128 H224 N16 O40 S8 -","8","2","SN0036","Kojić-Prodić, Biserka; Perić, Berislav; Zoran Štefanić; Anton Meden; Makarević, Janja; Jokić, Milan; Žinić, Mladen","Supramolecular assembling using synthons with NH—CO(S)—CS—NH and NH—CO—CO—NH functionalities: crystal structures of (<i>S</i>,<i>S</i>)-<i>N</i>,<i>N</i>'-monothiooxalyldileucine methyl ester and its dithio analogue","Acta Crystallographica Section B","2004","60","1","90","96","10.1107/S0108768103029173","","","1.54128","CuKα","","","0.0599","","","","0.174","","","","","","1.01","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102240","11.3877","0.0004","11.3877","0.0004","15.9829","0.0006","90","","90","","90","","2072.66","0.13","293","2","","","","","","","","","","5","P 41","P 4w","76","","N,N'-ditiooxalyl-bis(L-leucine methyl ester)","","- C16 H28 N2 O4 S2 -","- C16 H28 N2 O4 S2 -","- C64 H112 N8 O16 S8 -","4","1","SN0036","Kojić-Prodić, Biserka; Perić, Berislav; Zoran Štefanić; Anton Meden; Makarević, Janja; Jokić, Milan; Žinić, Mladen","Supramolecular assembling using synthons with NH—CO(S)—CS—NH and NH—CO—CO—NH functionalities: crystal structures of (<i>S</i>,<i>S</i>)-<i>N</i>,<i>N</i>'-monothiooxalyldileucine methyl ester and its dithio analogue","Acta Crystallographica Section B","2004","60","1","90","96","10.1107/S0108768103029173","","","0.71069","MoKα","","","0.0381","","","","0.1115","","","","","","1.098","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102241","6.614","0.003","18.552","0.007","10.377","0.004","90","","107.47","0.03","90","","1214.6","0.9","291","1","291","1","","","","","","","","4","","","","quininium (R)-mandelate","6'-methoxy (8,9R)-cinchonan-9-ol","","- C28 H32 N2 O5 -","","","2","","SN5002","Schönleber, Andreas; Chapuis, Gervais","Quininium (<i>R</i>)-mandelate, a structure with large <i>Z</i>' described as an incommensurately modulated structure in (3+1)-dimensional superspace","Acta Crystallographica Section B","2004","60","1","108","120","10.1107/S0108768103027605","","","0.71069","MoKα","","0.1604","0.0742","","","0.0721","0.0794","","","","","","1.25","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102242","13.799","0.0006","5.6915","0.0002","9.4197","0.0004","90","","102.356","0.004","90","","722.66","0.05","298","","298","","100","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","0.97","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102243","13.7854","0.0012","5.6547","0.0006","9.4204","0.0009","90","","102.497","0.01","90","","716.94","0.12","298","","","","288000","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102244","2.9005","0.0008","2.9005","","2.829","0.0013","90","","90","","120","","20.611","0.007","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102245","3.562","0.0008","3.562","","3.562","","90","","90","","90","","45.194","0.01","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102246","13.759","0.0009","5.5526","0.0005","9.4305","0.0006","90","","102.923","0.009","90","","702.22","0.09","298","","","","1162000","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102247","2.8995","0.0006","2.8995","","2.8302","0.001","90","","90","","120","","20.607","0.005","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102248","3.5587","0.0005","3.5587","","3.5587","","90","","90","","90","","45.069","0.006","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102249","13.7496","0.0014","5.5234","0.0008","9.4344","0.0011","90","","103.019","0.014","90","","698.07","0.15","298","","","","1443000","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102250","2.8978","0.0009","2.8978","","2.8306","0.0014","90","","90","","120","","20.585","0.007","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102251","3.556","0.0008","3.556","","3.556","","90","","90","","90","","44.96","0.04","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102252","13.7473","0.0014","5.5007","0.0008","9.4358","0.0012","90","","103.104","0.016","90","","694.95","0.16","298","","","","1663000","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102253","2.899","0.0009","2.899","","2.8304","0.0013","90","","90","","120","","20.6","0.007","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102254","3.5551","0.0008","3.5551","","3.5551","","90","","90","","90","","44.93","0.03","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102255","13.7371","0.0011","5.4905","0.0006","9.4299","0.0009","90","","103.068","0.01","90","","692.82","0.12","298","","","","1804000","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102256","2.8994","0.0012","2.8994","","2.8273","0.0018","90","","90","","120","","20.583","0.009","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102257","3.5554","0.0009","3.5554","","3.5554","","90","","90","","90","","44.94","0.04","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102258","5.4614","0.0002","5.46139","","20.0706","0.0011","90","","90","","120","","518.44","0.03","298","","","","1930000","","","","","","","3","R -3 m :H","-R 3 2""","166","Lead phosphate","","","- O8 P2 Pb3 -","- O7.9998 P2 Pb3.00004 -","- O23.9994 P6 Pb9.00012 -","3","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102259","2.8974","0.0006","2.8974","","2.8295","0.001","90","","90","","120","","20.571","0.005","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102260","3.5543","0.0006","3.5543","","3.5543","","90","","90","","90","","44.9","0.02","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102261","13.8108","0.0014","5.6952","0.0007","9.4315","0.0009","90","","102.358","0.01","90","","724.65","0.14","298","","","","100","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102262","2.9017","0.0009","2.9017","","2.8339","0.0014","90","","90","","120","","20.664","0.008","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102263","3.5439","0.0011","3.5439","","3.5439","","90","","90","","90","","44.51","0.05","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102264","13.7849","0.0018","5.5692","0.0007","9.4445","0.001","90","","102.887","0.016","90","","706.8","0.16","298","","","","1000000","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102265","2.903","0.0009","2.903","","2.8315","0.0014","90","","90","","120","","20.666","0.007","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102266","3.5421","0.0011","3.5421","","3.5421","","90","","90","","90","","44.44","0.05","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102267","5.4552","0.0002","5.45515","","20.0656","0.0013","90","","90","","120","","517.13","0.04","298","","","","2270000","","","","","","","3","R -3 m :H","-R 3 2""","166","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3.00004 -","- O24 P6 Pb9.00012 -","3","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102268","2.8993","0.0006","2.8993","","2.8314","0.001","90","","90","","120","","20.613","0.005","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102269","3.5382","0.0007","3.5382","","3.5382","","90","","90","","90","","44.294","0.009","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102270","5.4236","0.00019","5.4236","","19.9856","0.0011","90","","90","","120","","509.12","0.03","298","","","","3460000","","","","","","","3","R -3 m :H","-R 3 2""","166","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3.00004 -","- O24 P6 Pb9.00012 -","3","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102271","2.8974","0.0006","2.8974","","2.8297","0.0009","90","","90","","120","","20.572","0.005","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102272","3.5347","0.0007","3.5347","","3.5347","","90","","90","","90","","44.16","0.03","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102273","5.3925","0.0003","5.39246","","19.908","0.0015","90","","90","","120","","501.34","0.05","298","","","","4840000","","","","","","","3","R -3 m :H","-R 3 2""","166","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O24 P6 Pb9 -","3","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102274","2.8952","0.0009","2.8952","","2.8294","0.0013","90","","90","","120","","20.539","0.007","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102275","3.5323","0.0008","3.5323","","3.5323","","90","","90","","90","","44.08","0.04","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102276","5.3651","0.0003","5.36513","","19.8407","0.0017","90","","90","","120","","494.59","0.05","298","","","","6260000","","","","","","","3","R -3 m :H","-R 3 2""","166","Lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O24 P6 Pb9 -","3","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102277","2.8916","0.0009","2.8916","","2.8298","0.0015","90","","90","","120","","20.491","0.013","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102278","3.5276","0.0009","3.5276","","3.5276","","90","","90","","90","","43.897","0.011","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102279","13.8041","0.0014","5.6877","0.0007","9.4318","0.001","90","","102.373","0.011","90","","723.32","0.14","298","","","","100","","","","","","","3","C 1 2/c 1","-C 2yc","15","Ba-doped lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102280","2.9017","0.0007","2.9017","","2.8286","0.0011","90","","90","","120","","20.626","0.006","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102281","3.5513","0.001","3.5513","","3.5513","","90","","90","","90","","44.79","0.04","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102282","13.7881","0.0015","5.5967","0.0007","9.4441","0.0009","90","","102.788","0.013","90","","710.7","0.14","298","","","","750000","","","","","","","3","C 1 2/c 1","-C 2yc","15","Ba-doped lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102283","2.9003","0.0007","2.9003","","2.8311","","90","","90","","120","","20.625","0.006","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102284","3.5507","0.001","3.5507","","3.5507","","90","","90","","90","","44.77","0.04","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102285","13.7645","0.0014","5.5059","0.0007","9.4551","0.001","90","","103.126","0.015","90","","697.84","0.14","298","","","","1500000","","","","","","","3","C 1 2/c 1","-C 2yc","15","Ba-doped lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102286","2.9008","0.0006","2.9008","","2.8295","0.001","90","","90","","120","","20.62","0.05","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102287","3.5474","0.0009","3.5474","","3.5474","","90","","90","","90","","44.64","0.04","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102288","5.4624","0.0002","5.4624","","20.0769","0.0011","90","","90","","120","","518.79","0.03","298","","","","1730000","","","","","","","3","R -3 m :H","-R 3 2""","166","Ba-doped lead phosphate","","","- O8 P2 Pb3 -","- O7.9998 P2 Pb3.00004 -","- O23.9994 P6 Pb9.00012 -","3","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102289","2.8987","0.0005","2.8987","","2.8295","0.0008","90","","90","","120","","20.589","0.004","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102290","3.5456","0.0006","3.5456","","3.5456","","90","","90","","90","","44.57","0.03","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102291","5.4415","0.0003","5.44152","","20.0312","0.0014","90","","90","","120","","513.66","0.05","298","","","","2240000","","","","","","","3","R -3 m :H","-R 3 2""","166","Ba-doped lead phosphate","","","- O8 P2 Pb3 -","- O7.9998 P2 Pb3.00004 -","- O23.9994 P6 Pb9.00012 -","3","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102292","2.8982","0.0006","2.8982","","2.8314","0.001","90","","90","","120","","20.596","0.005","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102293","3.5442","0.0008","3.5442","","3.5442","","90","","90","","90","","44.52","0.03","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102294","5.4274","0.0003","5.4274","","19.9933","0.0014","90","","90","","120","","510.03","0.05","298","","","","2620000","","","","","","","3","R -3 m :H","-R 3 2""","166","Ba-doped lead phosphate","","","- O8 P2 Pb3 -","- O7.9998 P2 Pb3.00004 -","- O23.9994 P6 Pb9.00012 -","3","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102295","2.8984","0.0006","2.8984","","2.8288","0.001","90","","90","","120","","20.58","0.005","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102296","3.5433","0.0009","3.5433","","3.5433","","90","","90","","90","","44.485","0.004","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102297","5.4368","0.0002","5.4368","","20.0175","0.001","90","","90","","120","","512.42","0.03","298","","","","2370000","","","","","","","3","R -3 m :H","-R 3 2""","166","Ba-doped lead phosphate","","","- O8 P2 Pb3 -","- O7.9998 P2 Pb3.00004 -","- O23.9994 P6 Pb9.00012 -","3","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102298","2.8979","0.0005","2.8979","","2.8289","0.0007","90","","90","","120","","20.574","0.004","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102299","3.5409","0.0005","3.5409","","3.5409","","90","","90","","90","","44.397","0.003","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102300","5.4041","0.0003","5.4041","","19.9364","0.0015","90","","90","","120","","504.22","0.05","298","","","","3290000","","","","","","","3","R -3 m :H","-R 3 2""","166","Ba-doped lead phosphate","","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O24 P6 Pb9 -","3","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102301","2.8945","0.0007","2.8945","","2.8293","0.0011","90","","90","","120","","20.528","0.005","298","","","","","","","","","","","2","P -6 m 2","P -6 2","187","WC","","","- C W -","- C W -","- C W -","1","0.0833333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102302","3.5355","0.0008","3.5355","","3.5355","","90","","90","","90","","44.19","0.04","298","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","WS5002","Angel, R. J.; Bismayer, U.; Marshall, W. G.","Local and long-range order in ferroelastic lead phosphate at high pressure","Acta Crystallographica Section B","2004","60","1","1","9","10.1107/S0108768103026582","","","","","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102303","6.0079","0.0015","5.192","0.0013","8.407","0.002","90","","108.254","0.004","90","","249.04","0.11","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 N2 -","- C4 H10 N2 -","- C8 H20 N4 -","2","0.5","AV5005","Parkin, Andrew; Oswald, Iain D. H.; Parsons, Simon","Structures of piperazine, piperidine and morpholine","Acta Crystallographica Section B","2004","60","2","219","227","10.1107/S0108768104003672","","","0.71073","MoKα","","0.0433","0.0359","","0.0867","0.0853","0.0867","","","","","","0.9357","","","","has coordinates,has Fobs","301802","2025-08-19","10:18:47",""
"2102304","5.2311","0.0005","8.2292","0.0007","11.137","0.001","90","","90","","90","","479.42","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O -","- C4 H9 N O -","- C16 H36 N4 O4 -","4","1","AV5005","Parkin, Andrew; Oswald, Iain D. H.; Parsons, Simon","Structures of piperazine, piperidine and morpholine","Acta Crystallographica Section B","2004","60","2","219","227","10.1107/S0108768104003672","","","0.71073","MoKα","","0.0486","0.0441","","0.1057","0.1016","0.1057","","","","","","1.1148","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102305","8.6989","0.0007","5.2642","0.0004","12.0097","0.001","90","","96.8","0.001","90","","546.09","0.08","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 N -","- C5 H11 N -","- C20 H44 N4 -","4","1","AV5005","Parkin, Andrew; Oswald, Iain D. H.; Parsons, Simon","Structures of piperazine, piperidine and morpholine","Acta Crystallographica Section B","2004","60","2","219","227","10.1107/S0108768104003672","","","0.71073","MoKα","","0.0465","0.0415","","0.1195","0.1171","0.1195","","","","","","1.0187","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102306","9.06","0.001","5.447","0.001","21.56","0.002","90","","95.31","0.01","90","","1059.4","0.2","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Na2 O5 S2 -","- Na2 O5 S2 -","- Na16 O40 S16 -","8","2","BK0141","Carter, Kay L.; Siddiquee, Tasneem A.; Murphy, Kristen L.; Bennett, Dennis W.","The surprisingly elusive crystal structure of sodium metabisulfite","Acta Crystallographica Section B","2004","60","2","155","162","10.1107/S0108768104003325","","","0.71073","MoKα","","","0.0405","","","","0.1148","","","","","","1.147","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102307","6.073","0.001","5.47","0.001","8.318","0.001","90","","103.16","0.01","90","","269.06","0.07","293","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Na2 O5 S2 -","- Na2 O5.075 S2 -","- Na4 O10.15 S4 -","2","1","BK0141","Carter, Kay L.; Siddiquee, Tasneem A.; Murphy, Kristen L.; Bennett, Dennis W.","The surprisingly elusive crystal structure of sodium metabisulfite","Acta Crystallographica Section B","2004","60","2","155","162","10.1107/S0108768104003325","","","0.71073","MoKα","","","0.04","","","","0.1096","","","","","","1.067","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102308","31.536","","6.496","","17.59","","90","","113.92","","90","","3293.96","","","","","","","","","","","","","3","C 1 2/c 1","","15","","","","- C19 H21 N5 -","- C19 N5 -","- C152 N40 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102309","9.692","","67.57","","17.028","","90","","90","","90","","11151.4","","","","","","","","","","","","","4","F d d 2","","43","","","","- C34 H32 O2 Sn -","- C34 H32 O2 Sn -","- C544 H512 O32 Sn16 -","16","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102310","22.233","","9.566","","16.017","","90","","123.78","","90","","2831.42","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cd N4 O8 S2 -","- C28 H24 Cd N4 O8 S2 -","- C112 H96 Cd4 N16 O32 S8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102311","25.252","","9.394","","15.356","","90","","120.21","","90","","3147.98","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C37 H34 N4 Ni O4 -","- C36 H30 N4 Ni O4 -","- C144 H120 N16 Ni4 O16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102312","6.388","","15.594","","7.874","","90","","109.15","","90","","740.96","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 O5 -","- C7 H8 O5 -","- C28 H32 O20 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102313","12.878","","12.878","","10.938","","90","","90","","120","","1570.96","","","","","","","","","","","","","5","P 3 1 c","","159","","","","- C33 H27 N9 O4 Re2 -","- C33 H27 N9 O4 Re2 -","- C66 H54 N18 O8 Re4 -","2","0.333333","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102314","7.51","","17.295","","13.685","","90","","94.6","","90","","1771.76","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N2 S6 Zn -","- C12 H14 N2 S6 Zn -","- C48 H56 N8 S24 Zn4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102315","9.278","","12.75","","19.5881","","90","","103.35","","90","","2254.55","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 B2 Cu F8 N6 -","- C20 H18 B2 Cu F8 N6 -","- C80 H72 B8 Cu4 F32 N24 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102316","5.374","","8.396","","61.99","","90","","90.06","","90","","2796.99","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H54 N2 O2 -","- C27 H54 N2 O2 -","- C108 H216 N8 O8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102317","34.77","","11.19","","11.544","","90","","102.89","","90","","4378.31","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 Mo2 N2 O15 -","- C12 H28 Mo2 N2 O15 -","- C96 H224 Mo16 N16 O120 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102318","21.867","","8.648","","15.033","","90","","119.75","","90","","2468.14","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H42 Cl2 O P2 Ru -","- C19 H42 Cl2 O P2 Ru -","- C76 H168 Cl8 O4 P8 Ru4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102319","13.9","","10.83","","18.39","","90","","94.08","","90","","2761.36","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C18 H48 Li3 Lu O6 -","- C18 Li3 Lu O6 -","- C72 Li12 Lu4 O24 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102320","14.544","","6.32","","18.542","","90","","121.32","","90","","1455.98","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C14 H14 F6 N2 P -","- C14 F6 N2 P -","- C56 F24 N8 P4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102321","21.656","","8.41","","21.078","","90","","128.27","","90","","3013.9","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C22 H49 I2 N4 O5.5 -","- C22 I2 N4 O7 -","- C88 I8 N16 O28 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102322","30.134","","9.806","","17.34","","90","","114.39","","90","","4666.59","","","","","","","","","","","","","3","C 1 2/c 1","","15","","","","- C24 H30 Si3 -","- C24 Si3 -","- C192 Si24 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102323","27.645","","8.03","","10.167","","90","","99.42","","90","","2226.53","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 -","- C24 H48 -","- C96 H192 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102324","13.99","","11.623","","11.96","","90","","114.35","","90","","1771.77","","","","","","","","","","","","","4","C 1 2/c 1","","15","","","","- C18 H17 Co O8 -","- C18 H18 Co O8 -","- C72 H72 Co4 O32 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102325","29.472","","10.781","","12.12","","90","","98.95","","90","","3804.09","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H25 Br N2 O2 S Si2 -","- C12 H25 Br N2 O2 S Si2 -","- C96 H200 Br8 N16 O16 S8 Si16 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102326","25.498","","5.438","","15.136","","90","","121.18","","90","","1795.56","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cl2 N4 O Pd -","- C14 H22 Cl2 N4 O Pd -","- C56 H88 Cl8 N16 O4 Pd4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102327","14.39","","11.418","","22.908","","90","","95.08","","90","","3749.11","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C32 H28 N10 O18 Zn -","- C32 N10 O18 Zn -","- C128 N40 O72 Zn4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102328","15.02","","9.9514","","19.723","","90","","112.18","","90","","2729.85","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C22 H20 Cu2 N6 S6 -","- C22 Cu2 N6 S6 -","- C88 Cu8 N24 S24 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102329","23.144","","6.4466","","7.1648","","90","","91.16","","90","","1068.77","","","","","","","","","","","","","4","C 1 2/c 1","","15","","","","- C12 H8 Mn O5 -","- C12 H6 Mn O5 -","- C48 H24 Mn4 O20 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102330","23.611","","6.4346","","6.9529","","90","","91.38","","90","","1056.03","","","","","","","","","","","","","4","C 1 2/c 1","","15","","","","- C12 H8 Cd O5 -","- C12 H6 Cd O5 -","- C48 H24 Cd4 O20 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102331","11.482","","10.035","","19.669","","90","","91.13","","90","","2265.86","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cr O4 -","- C14 H12 Cr O4 -","- C112 H96 Cr8 O32 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102332","24.724","","7.81","","17.457","","90","","123.88","","90","","2798.5","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H40 N Ni S4 -","- C26 H40 N Ni S4 -","- C104 H160 N4 Ni4 S16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102333","14.209","","19.533","","12.085","","90","","119.04","","90","","2932.45","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Fe N7 O S3 -","- C26 H22 Fe N7 O S3 -","- C104 H88 Fe4 N28 O4 S12 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102334","27.107","","8.282","","14.332","","90","","114.88","","90","","2918.92","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N2 P -","- C17 H15 N2 P -","- C136 H120 N16 P8 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102335","20.333","","11.641","","14.344","","90","","132.77","","90","","2492.35","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C28 H28 B2 Cl2 Zr -","- C28 B2 Cl2 Zr -","- C112 B8 Cl8 Zr4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102336","12.812","","19.261","","22.277","","90","","102.56","","90","","5365.78","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C54 H86 B Cl P4 Ru -","- C52 H84 B P4 Ru -","- C208 H336 B4 P16 Ru4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102337","8.882","","24.565","","6.387","","90","","90","","90","","1393.56","","","","","","","","","","","","","4","I m a 2","","46","","","","- C9 H7 I3 S2 -","- C9 I3 S2 -","- C36 I12 S8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102338","18.093","","10.657","","17.531","","90","","95.85","","90","","3362.67","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Cd Cl2 N8 O8 -","- C30 H32 Cd Cl2 N8 O8 -","- C120 H128 Cd4 Cl8 N32 O32 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102339","15.605","","13.473","","15.962","","90","","117.12","","90","","2986.98","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au Cl O6 P2 -","- C30 H32 Au Cl O6 P2 -","- C120 H128 Au4 Cl4 O24 P8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102340","33.205","","34.327","","8.442","","90","","90","","90","","9622.43","","","","","","","","","","","","","4","F d d 2","","43","","","","- C28 H32 N2 O3 -","- C28 H31 N2 O3 -","- C448 H496 N32 O48 -","16","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102341","16.705","","16.883","","10.667","","90","","107.01","","90","","2876.81","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Co N2 O4 -","- C32 H30 Co N2 O4 -","- C128 H120 Co4 N8 O16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102342","7.4127","","34.03","","6.1829","","90","","90","","90","","1559.66","","","","","","","","","","","","","3","A b a 2","","41","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102343","9.761","","14.521","","10.2151","","90","","109.04","","90","","1368.67","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 N6 O2 -","- C12 H16 N6 O2 -","- C48 H64 N24 O8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102344","21.324","","11.456","","14.495","","90","","97.37","","90","","3511.7","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H34 N7 O16 Pr -","- C26 H34 N7 O16 Pr -","- C104 H136 N28 O64 Pr4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102345","12.309","","17.153","","19.496","","90","","103.45","","90","","4003.42","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H62 O2 Si3 Sm -","- C34 H62 O2 Si3 Sm -","- C136 H248 O8 Si12 Sm4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102346","24.079","","9.973","","14.828","","90","","120.57","","90","","3065.87","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H50 O4 Zn -","- C32 H50 O4 Zn -","- C128 H200 O16 Zn4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102347","17.063","","6.836","","16.492","","90","","122.49","","90","","1622.59","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Cl2 Zr -","- C16 H22 Cl2 Zr -","- C64 H88 Cl8 Zr4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102348","28.639","","12.548","","12.355","","90","","90","","90","","4439.92","","","","","","","","","","","","","6","I m a 2","","46","","","","- C57 H38 Cl2 N6 O2 Zn -","- C57 H38 Cl2 N6 O2 Zn -","- C228 H152 Cl8 N24 O8 Zn4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2102349","18.274","","12.012","","16.477","","90","","93.88","","90","","3608.53","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C28 H34 N10 O6 S4 Sn -","- C28 H34 N10 O12 S4 Sn -","- C112 H136 N40 O48 S16 Sn4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102350","23.981","","16.733","","15.42","","90","","90","","90","","6187.65","","","","","","","","","","","","","6","F d d 2","","43","","","","- C26 H36 Cl2 P2 Ru S2 -","- C26 H30 Cl2 P2 Ru S2 -","- C208 H240 Cl16 P16 Ru8 S16 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102351","10.712","","29.834","","12.108","","90","","112.76","","90","","3568.19","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H48 N2 O4 Rh -","- C38 H48 N2 O4 Rh -","- C152 H192 N8 O16 Rh4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102352","22.147","","15.092","","17.352","","90","","115.11","","90","","5251.67","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C54 H45 F20 Ga Sn2 -","- C54 F20 Ga Sn2 -","- C216 F80 Ga4 Sn8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102353","13.646","","24.618","","17.083","","90","","95.72","","90","","5710.24","","","","","","","","","","","","","9","C 1 2/c 1","","15","","","","- C49.5 H43 B Cl3 F4 N3 Os P4 S4 -","- C50 H40 B Cl4 N3 Os P4 S4 -","- C200 H160 B4 Cl16 N12 Os4 P16 S16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102354","19.605","","11.84","","18.611","","90","","96.58","","90","","4291.59","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H52 N2 P4 Si2 Sn -","- C38 H52 N2 P4 Si2 Sn -","- C152 H208 N8 P16 Si8 Sn4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102355","26.982","","5.6806","","7.439","","90","","105.54","","90","","1098.52","","","","","","","","","","","","","3","C 1 2/c 1","","15","","","","- C14 H11 N3 -","- C15 N2 -","- C60 N8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102356","22.694","","31.366","","8.4986","","90","","90","","90","","6049.47","","","","","","","","","","","","","5","F d d 2","","43","","","","- C32 H30 As2 Mg O6 -","- C32 H30 As2 Mg O6 -","- C256 H240 As16 Mg8 O48 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102357","22.521","","14.974","","10.656","","90","","107.76","","90","","3422.26","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H56 Al3 Cl O4 -","- C26 H56 Al3 Cl O4 -","- C104 H224 Al12 Cl4 O16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","208362","2020-10-21","18:00:00",""
"2102358","11.913","","15.882","","8.24","","90","","124.06","","90","","1291.58","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H4 Ni O2 S7 -","- C7 H4 Ni O2 S7 -","- C28 H16 Ni4 O8 S28 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102359","44.188","","9.8658","","19.6725","","90","","99.03","","90","","8469.93","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C43 H46.5 Mo N1.5 O S4 -","- C42 H45 Mo N O S4 -","- C336 H360 Mo8 N8 O8 S32 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102360","14.283","","13.828","","14.345","","90","","102.84","","90","","2762.37","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N2 Ni O4 S2 -","- C30 H28 N2 Ni O4 S2 -","- C120 H112 N8 Ni4 O16 S8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102361","14.5203","","19.937","","16.385","","90","","108.83","","90","","4489.45","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H64 D6 S2 Si4 -","- C42 H64 D6 S2 Si4 -","- C168 H256 D24 S8 Si16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102362","14.579","","20.084","","16.301","","90","","108.12","","90","","4536.3","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H64 D6 Se2 Si4 -","- C42 H64 D6 Se2 Si4 -","- C168 H256 D24 Se8 Si16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102363","20.115","","11.652","","42.481","","90","","92.08","","90","","9950.14","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 O2 P2 Pd -","- C60 H60 O2 P2 Pd -","- C480 H480 O16 P16 Pd8 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102364","19.589","","18.167","","24.55","","90","","109.07","","90","","8257.22","","","","","","","","","","","","","4","C 1 2/c 1","","15","","","","- C93 H98 N8 O11 -","- C87 N8 O9 -","- C348 N32 O36 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102365","35.88","","7.201","","6.907","","90","","91.19","","90","","1784.19","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C16 H15 Cs O4 S2 -","- C16 H10 Cs O4 S2 -","- C64 H40 Cs4 O16 S8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102366","18.543","","4.561","","15.342","","90","","129.14","","90","","1006.38","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H16 N2 O8 P2 -","- C3 H16 N2 O8 P2 -","- C12 H64 N8 O32 P8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102367","13.83","","11.916","","14.945","","90","","106.91","","90","","2356.42","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C22 H14 Cu N4 O6 S2 -","- C22 Cu N4 O6 S2 -","- C88 Cu4 N16 O24 S8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102368","17.326","","9.26","","7.959","","90","","112.3","","90","","1181.43","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C3 H12 Li2 N6 O7 S -","- C3 Li2 N6 O7 S -","- C12 Li8 N24 O28 S4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102369","38.271","","9.973","","36.093","","90","","123.59","","90","","11475.5","","","","","","","","","","","","","8","C 1 2/c 1","","15","","","","- C106 H64 Cl4 N2 O30 P4 Pd2 Ru12 -","- C106 Cl4 N2 O30 P4 Pd2 Ru12 -","- C424 Cl16 N8 O120 P16 Pd8 Ru48 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102370","31.343","","29.969","","23.979","","90","","90","","90","","22523.9","","","","","","","","","","","","","7","F d d 2","","43","","","","- C106 H60 N2 O32 P4 Pd4 Ru12 -","- C106 H60 N2 O32 P4 Pd4 Ru12 -","- C848 H480 N16 O256 P32 Pd32 Ru96 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","189126","2020-10-21","18:00:00",""
"2102371","8.286","","29.498","","12.225","","90","","90","","90","","2988.04","","","","","","","","","","","","","5","F d d 2","","43","","","","- C10 H14 Mg N6 O7 -","- C10 H14 Mg N6 O7 -","- C80 H112 Mg8 N48 O56 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102372","22.787","","6.367","","9.906","","90","","110.58","","90","","1345.49","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Ca N6 O5 -","- C10 H10 Ca N6 O5 -","- C40 H40 Ca4 N24 O20 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102373","16.65","","9.229","","17.65","","90","","114.98","","90","","2458.44","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C4 H29 Cu2 O23 P4 -","- C4 H6 Cu2 O24 P4 -","- C16 H24 Cu8 O96 P16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102374","15.538","","23.07","","14.521","","90","","120.9","","90","","4466.42","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H62 N4 Rh2 -","- C51 H62 N4 Rh2 -","- C204 H248 N16 Rh8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102375","8.7315","","15.993","","18.719","","90","","96.47","","90","","2597.33","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N6 Zr -","- C28 H32 N6 Zr -","- C112 H128 N24 Zr4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102376","27.5597","","18.4326","","20.1604","","90","","123.95","","90","","8495.52","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H74 Cl2 N20 O13 Zn3 -","- C80 H74 Cl2 N20 O13 Zn3 -","- C320 H296 Cl8 N80 O52 Zn12 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102377","16.212","","14.4198","","25.146","","90","","92.01","","90","","5874.86","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H54 P4 Pb S6 -","- C64 H54 P4 Pb S6 -","- C256 H216 P16 Pb4 S24 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102378","34.102","","8.431","","14.375","","90","","90.48","","90","","4132.87","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C24 H23 Cr Fe O5 -","- C24 H21 Cr Fe O5 -","- C192 H168 Cr8 Fe8 O40 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102379","17.9075","","16.731","","7.7049","","90","","93.71","","90","","2303.63","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Cu2 N6 O7 -","- C22 H20 Cu2 N6 O7 -","- C88 H80 Cu8 N24 O28 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102380","10.108","","13.722","","23.804","","90","","98.01","","90","","3269.45","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 Rh2 -","- C38 H46 Rh2 -","- C152 H184 Rh8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102381","15.561","","19.636","","13.776","","90","","95.71","","90","","4188.45","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C48 H52 Cl2 N2 O2 Zr -","- C48 H46 Cl2 N2 O2 Zr -","- C192 H184 Cl8 N8 O8 Zr4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102382","17.388","","12.174","","14.152","","90","","114.88","","90","","2717.69","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Cl2 N6 Ni O2 -","- C24 H30 Cl2 N6 Ni O2 -","- C96 H120 Cl8 N24 Ni4 O8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102383","16.1695","","11.8116","","7.0266","","90","","99.53","","90","","1323.47","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C10 H13 Cu N3 O6 S -","- C10 H9 Cu N3 O6 S -","- C40 H36 Cu4 N12 O24 S4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102384","19.287","","16.831","","18.189","","90","","118.21","","90","","5203.17","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H34 F10 P2 Pt -","- C54 H34 F10 P2 Pt -","- C216 H136 F40 P8 Pt4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102385","16.354","","16.035","","19.793","","90","","90","","90","","5190.44","","","","","","","","","","","","","7","F d d 2","","43","","","","- C6 H14 Ge3 In N2 O S8 -","- In4 S8 -","- In32 S64 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102386","10.903","","13.228","","18.035","","90","","95.26","","90","","2590.14","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C20 H27 Cd N11 O6 -","- C18 H24 Cd N10 O6 -","- C72 H96 Cd4 N40 O24 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102387","42.084","","20.589","","9.925","","90","","90","","90","","8599.69","","","","","","","","","","","","","5","F d d 2","","43","","","","- C26 H18 Fe N2 S2 -","- C26 H18 Fe N2 S2 -","- C416 H288 Fe16 N32 S32 -","16","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102388","20.359","","7.717","","20.62","","90","","117.02","","90","","2886.01","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 Fe2 O4 Si2 -","- C26 H36 Fe2 O4 Si2 -","- C104 H144 Fe8 O16 Si8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102389","21.72","","8.633","","15.515","","90","","119.45","","90","","2533.29","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C19 H43 Cl2 Ir O P2 -","- C19 H42 Cl2 Ir O P2 -","- C76 H168 Cl8 Ir4 O4 P8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102390","11.4","","20.186","","4.569","","90","","90","","90","","1051.42","","","","","","","","","","","","","4","F d d 2","","43","","","","- C3 H8 N2 O -","- C3 H8 N2 O -","- C24 H64 N16 O8 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102391","10.668","","15.026","","13.817","","90","","96.74","","90","","2199.52","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C12 H30 N9 Nd O9 -","- C12 N9 Nd O9 -","- C48 N36 Nd4 O36 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102392","16.674","","29.469","","9.552","","90","","90","","90","","4693.53","","","","","","","","","","","","","5","F d d 2","","43","","","","- C16 H32 Cl3 Gd O4 -","- C16 H32 Cl3 Gd O4 -","- C128 H256 Cl24 Gd8 O32 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102393","26.633","","10.204","","15.907","","90","","110.33","","90","","4053.65","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C16 H52 Co4 N12 O14 S8 -","- C16 Co4 N12 O14 S8 -","- C64 Co16 N48 O56 S32 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102394","15.645","","13.51","","18.56","","90","","103.59","","90","","3813.08","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 O12 -","- C44 H44 O12 -","- C176 H176 O48 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","301802","2025-08-19","10:18:47",""
"2102395","17.725","","4.402","","25.88","","90","","94.21","","90","","2013.85","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Br4 F2 N2 Sn2 -","- C12 H16 Br4 F2 N2 Sn2 -","- C48 H64 Br16 F8 N8 Sn8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102396","20.558","","7.254","","13.79","","90","","100.47","","90","","2022.23","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H22 I4 N2 Pt2 -","- C8 H22 I4 N2 Pt2 -","- C32 H88 I16 N8 Pt8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102397","23.0821","","9.9109","","17.6074","","90","","119","","90","","3522.92","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 Ir2 N2 -","- C42 H44 Ir2 N2 -","- C168 H176 Ir8 N8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102398","32.252","","8.561","","13.72","","90","","90","","90","","3788.22","","","","","","","","","","","","","4","F d d 2","","43","","","","- C16 H26 N6 Ti -","- C16 H26 N6 Ti -","- C128 H208 N48 Ti8 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102399","12.856","","23.531","","9.979","","90","","134.55","","90","","2151.31","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C14 H36 Cu N6 O4 -","- C14 H36 Cu N7 O7 -","- C56 H144 Cu4 N28 O28 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102400","15.879","","45.775","","6.078","","90","","90","","90","","4417.86","","","","","","","","","","","","","5","F d d 2","","43","","","","- C24 H22 Cu N2 O5 -","- C24 Cu N2 O5 -","- C192 Cu8 N16 O40 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102401","13.098","","52.076","","9.772","","90","","90","","90","","6665.4","","","","","","","","","","","","","4","F d d 2","","43","","","","- C19 H15 N O5 -","- C19 H15 N O5 -","- C304 H240 N16 O80 -","16","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102402","17.852","","7.674","","12.763","","90","","129.29","","90","","1353.24","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 F2 Ge N2 O2 -","- C12 H20 F2 Ge N2 O2 -","- C48 H80 F8 Ge4 N8 O8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102403","9.199","","12.632","","12.532","","90","","93.7","","90","","1453.2","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Ge N6 O4 -","- C10 H14 Ge N6 O4 -","- C40 H56 Ge4 N24 O16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102404","29.014","","24.945","","11.7128","","90","","90","","90","","8477.19","","","","","","","","","","","","","5","F d d 2","","43","","","","- C11 H32 B10 Br P -","- C11 B10 Br P -","- C176 B160 Br16 P16 -","16","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102405","17.843","","19.036","","16.685","","90","","119.17","","90","","4948.48","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C52 H40 Cd F8 N6 O10 -","- C52 Cd F8 N6 O10 -","- C208 Cd4 F32 N24 O40 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102406","13.5632","","9.4138","","19.424","","90","","92","","90","","2478.57","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C16 H16 F12 Hg N8 P2 -","- C16 H10 F12 Hg N8 P2 -","- C64 H40 F48 Hg4 N32 P8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102407","6.381","","14.153","","17.73","","90","","81.8","","90","","1584.83","","","","","","","","","","","","","3","C 1 2/c 1","","15","","","","- C18 H24 N2 -","- C18 N2 -","- C72 N8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102408","18.741","","10.446","","19.27","","90","","114.64","","90","","3428.96","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H56 Li2 O4 Si4 -","- C24 H56 Li2 O4 Si4 -","- C96 H224 Li8 O16 Si16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102409","15.657","","16.468","","14.069","","90","","101.64","","90","","3552.94","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C36 H34 Cl2 N8 Ru -","- C36 H32 Cl2 N8 Ru -","- C144 H128 Cl8 N32 Ru4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102410","15.928","","4.983","","16.17","","90","","91.33","","90","","1283.06","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H10 O2 -","- C20 H10 O2 -","- C80 H40 O8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102411","20.49","","12.39","","21.171","","90","","91.54","","90","","5372.76","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C40 H51 Au Cl12 O17 -","- C40 H40 Au Cl12 O12 -","- C160 H160 Au4 Cl48 O48 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102412","15.286","","10.143","","10.49","","90","","93.77","","90","","1622.91","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Cu N2 O4 -","- C20 H12 Cu N2 O4 -","- C80 H48 Cu4 N8 O16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102413","17.51","","10.394","","9.373","","90","","95.88","","90","","1696.9","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Mn N2 O4 -","- C20 H12 Mn N2 O4 -","- C80 H48 Mn4 N8 O16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102414","30.292","","11.845","","17.881","","90","","102.98","","90","","6251.92","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C67 H84 Al4 N4 O4 -","- C52 H28 Al4 N4 O4 -","- C208 H112 Al16 N16 O16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102415","19.696","","10.603","","21.82","","90","","116.07","","90","","4093.2","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H52 Cl2 Mg O24 -","- C28 H52 Cl2 Mg O24 -","- C112 H208 Cl8 Mg4 O96 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102416","13.098","","14.61","","16.146","","90","","92.97","","90","","3085.58","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H54 Br2 P2 Pd2 -","- C24 H54 Br2 P2 Pd2 -","- C96 H216 Br8 P8 Pd8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102417","7.763","","13.893","","17.611","","90","","93.75","","90","","1895.3","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Cl4 S2 Sn -","- C15 H16 Cl4 S2 Sn -","- C60 H64 Cl16 S8 Sn4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102418","22.2292","","7.4107","","13.0246","","90","","99.84","","90","","2114.03","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Fe N2 S4 -","- C20 H24 Fe N2 S4 -","- C80 H96 Fe4 N8 S16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102419","25.124","","12.855","","12.36","","90","","95.07","","90","","3976.28","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 N9 -","- C18 H20 N9 -","- C144 H160 N72 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102420","16.809","","8.889","","21.232","","90","","101.47","","90","","3109.03","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 N4 O13 Sr -","- C24 H48 N4 O13 Sr -","- C96 H192 N16 O52 Sr4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102421","12.538","","11.095","","14.864","","90","","104.07","","90","","2005.69","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Au B F4 N2 -","- C20 H22 Au B F4 N2 -","- C80 H88 Au4 B4 F16 N8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102422","19.865","","6.93","","33.57","","90","","98.47","","90","","4570.99","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H33 Cl2 N Ru -","- C22 H33 Cl2 N Ru -","- C176 H264 Cl16 N8 Ru8 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102423","9.597","","9.597","","17.029","","90","","90","","120","","1358.29","","","","","","","","","","","","","6","P -3 1 c","","163","","","","- C18 H42 Cl2 Mn N8 O8 -","- C18 H42 Cl2 Mn N8 -","- C36 H84 Cl4 Mn2 N16 -","2","0.166667","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102424","28.358","","15.105","","15.822","","90","","102.52","","90","","6616.15","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C32.5 H30.75 Cl2 Cu N4.25 O8 -","- C32 H30 Cl2 Cu N4 O8 -","- C256 H240 Cl16 Cu8 N32 O64 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102425","20.6686","","17.449","","17.0768","","90","","106.16","","90","","5915.35","","","","","","","","","","","","","7","C 1 2/c 1","","15","","","","- C48 H61 F12 Ir2 N O13 S7 -","- C52 H68 F12 Ir2 N O14 S7 -","- C208 H272 F48 Ir8 N4 O56 S28 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102426","18.702","","36.317","","8.502","","90","","90","","90","","5774.56","","","","","","","","","","","","","5","F d d 2","","43","","","","- C22 H34 N8 Ni O10 -","- C22 H34 N8 Ni O10 -","- C176 H272 N64 Ni8 O80 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102427","17.445","","8.1602","","20.762","","90","","94.28","","90","","2947.33","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C26 H48 Cl2 N2 Si2 Ti -","- C26 Cl2 N2 Si2 Ti -","- C104 Cl8 N8 Si8 Ti4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102428","14.755","","11.169","","11.723","","90","","93.01","","90","","1929.27","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 Cl2 N4 Sn -","- C14 H26 Cl2 N4 Sn -","- C56 H104 Cl8 N16 Sn4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102429","9.303","","67.316","","15.607","","90","","90","","90","","9773.74","","","","","","","","","","","","","5","F d d 2","","43","","","","- C28 H26 O3 S Si -","- C28 H26 O3 S Si -","- C448 H416 O48 S16 Si16 -","16","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102430","25.345","","7.201","","11.137","","90","","108.02","","90","","1932.9","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O10 Zn -","- C18 H18 O10 Zn -","- C72 H72 O40 Zn4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102431","9.807","","15.232","","4.54","","90","","90","","90","","678.186","","","","","","","","","","","","","3","A m a 2","","40","","","","- C7 H6 N4 -","- C7 H7 N4 -","- C28 H28 N16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102432","15.95","","19.598","","18.534","","90","","90.61","","90","","5793.18","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C63 H72 O12 -","- C63 H72 O12 -","- C252 H288 O48 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102433","13.309","","9.591","","16.449","","90","","94.83","","90","","2092.2","","","","","","","","","","","","","4","C 1 2/c 1","","15","","","","- C22 H32 Cl2 Zr -","- C22 Cl2 Zr -","- C88 Cl8 Zr4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102434","18.829","","12.206","","17.233","","90","","97.28","","90","","3928.68","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 Cu N10 O6 S4 -","- C34 H36 Cu N10 O6 S4 -","- C136 H144 Cu4 N40 O24 S16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102435","17.908","","3.717","","14.87","","90","","95.3","","90","","985.575","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cl2 Fe N2 S2 -","- C6 H6 Cl2 Fe N2 S2 -","- C24 H24 Cl8 Fe4 N8 S8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102436","20.645","","6.414","","12.186","","90","","121.29","","90","","1378.93","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N4 O4 -","- C12 H18 N4 O4 -","- C48 H72 N16 O16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102437","17.598","","10.0198","","14.9081","","90","","99.12","","90","","2595.49","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Cl2 Mo N2 O2 -","- C24 H36 Cl2 Mo N2 O2 -","- C96 H144 Cl8 Mo4 N8 O8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102438","22.958","","19.861","","8.724","","90","","90","","90","","3977.87","","","","","","","","","","","","","4","F d d 2","","43","","","","- C20 H36 O2 S -","- C20 O4 S2 -","- C160 O32 S16 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102439","32.668","","23.772","","13.688","","90","","90","","90","","10629.9","","","","","","","","","","","","","7","F d d 2","","43","","","","- C38 H60 Ag2 F12 N12 O6 P2 -","- C38 H52 Ag2 F12 N12 O6 P2 -","- C304 H416 Ag16 F96 N96 O48 P16 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102440","22.178","","17.612","","19.575","","90","","117.66","","90","","6772.18","","","","","","","","","","","","","7","C 1 2/c 1","","15","","","","- C60 H70 N10 O13 P2 Pd2 S2 -","- C60 H12 N10 O19 P2 Pd2 S2 -","- C240 H48 N40 O76 P8 Pd8 S8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102441","15.587","","8.856","","21.78","","90","","93.85","","90","","2999.69","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 N2 -","- C36 H40 N2 -","- C144 H160 N8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102442","13.316","","13.5443","","16.085","","90","","108.47","","90","","2751.59","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Cl2 Co N12 O8 -","- C18 H30 Cl2 Co N12 O8 -","- C72 H120 Cl8 Co4 N48 O32 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102443","18.536","","15.225","","18.433","","90","","91.35","","90","","5200.54","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 N4 Ni Si2 -","- C24 H30 N4 Ni Si2 -","- C192 H240 N32 Ni8 Si16 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102444","18.928","","8.3716","","20.174","","90","","104","","90","","3101.77","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C30 H42 N4 Ni Si2 -","- C30 H38 N4 Ni Si2 -","- C120 H152 N16 Ni4 Si8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102445","38.593","","12.709","","14.175","","90","","95.51","","90","","6920.41","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 Cl3 Fe N12 O14 -","- C22 H30 Cl3 Fe N12 O14 -","- C176 H240 Cl24 Fe8 N96 O112 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102446","15.3413","","10.1378","","18.8657","","90","","113.11","","90","","2698.67","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cu N6 O8 S4 -","- C20 H22 Cu N6 O8 S4 -","- C80 H88 Cu4 N24 O32 S16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102447","21.777","","9.763","","21.705","","90","","115.23","","90","","4174.45","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Co F12 N4 O8 -","- C36 H36 Co F12 N4 O8 -","- C144 H144 Co4 F48 N16 O32 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102448","16.959","","10.6103","","10.4614","","90","","107.68","","90","","1793.51","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Mn O10 -","- C16 H18 Mn O10 -","- C64 H72 Mn4 O40 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102449","45.646","","10.97","","11.982","","90","","97.22","","90","","5952.25","","","","","","","","","","","","","4","C 1 2/c 1","","15","","","","- C29 H46 O4 S -","- C29 H48 O4 S -","- C232 H384 O32 S8 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102450","19.7343","","11.0721","","14.668","","90","","91.98","","90","","3203.05","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 Cl8 N4 Pd -","- C24 H34 Cl8 N4 Pd -","- C96 H136 Cl32 N16 Pd4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102451","24.894","","11.134","","15.615","","90","","111.74","","90","","4020.17","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 B F4 N O2 -","- C26 H16 B F4 N O2 -","- C208 H128 B8 F32 N8 O16 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102452","24.6435","","7.009","","14.649","","90","","115.15","","90","","2290.39","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N4 O2 P2 S4 -","- C20 H22 N4 O2 P2 S4 -","- C80 H88 N16 O8 P8 S16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102453","19.07","","17.916","","23.934","","90","","108.96","","90","","7733.59","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C96 H90 F2 N8 O8 -","- C96 H46 F2 N8 O8 -","- C384 H184 F8 N32 O32 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102454","16.454","","15.1066","","22.046","","90","","107.98","","90","","5212.23","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C29 H24 Cl2 N3 O P -","- C29 H22 Cl4 N3 O P -","- C232 H176 Cl32 N24 O8 P8 -","8","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102455","18.834","","16.257","","20.366","","90","","112.35","","90","","5767.31","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H44 Au2 Co2 O6 P4 -","- C56 H44 Au2 Co2 O6 P4 -","- C224 H176 Au8 Co8 O24 P16 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102456","12.426","","15.357","","12.823","","90","","93.18","","90","","2443.2","","","","","","","","","","","","","4","C 1 2/c 1","","15","","","","- C24 H46 N4 Ru -","- C24 H42 N4 Ru -","- C96 H168 N16 Ru4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102457","22.964","","13.206","","16.105","","90","","108.43","","90","","4633.54","","","","","","","","","","","","","5","C 1 2/c 1","","15","","","","- C16 H48 N4 S14 Sn6 -","- S14 Sn6 -","- S56 Sn24 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102458","15.86","","9.098","","12.228","","90","","101.05","","90","","1731.72","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H10 O6 -","- C26 H10 O6 -","- C104 H40 O24 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102459","23.105","","9.615","","24.103","","90","","118.88","","90","","4688.66","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 F12 N2 O2 P4 Ru -","- C44 H40 F12 N2 O2 P4 Ru -","- C176 H160 F48 N8 O8 P16 Ru4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102460","20.194","","12.319","","18.204","","90","","124.92","","90","","3713.24","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C30 H36 Cl2 N8 Ni2 O13 -","- C30 H28 Cl2 N8 Ni2 O13 -","- C120 H112 Cl8 N32 Ni8 O52 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102461","21.305","","11.47","","14.436","","90","","97.41","","90","","3498.24","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H34 N7 Nd O16 -","- C26 H34 N7 Nd O16 -","- C104 H136 N28 Nd4 O64 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102462","16.698","","64.74","","9.592","","90","","90","","90","","10369.2","","","","","","","","","","","","","4","F d d 2","","43","","","","- C28 H36 Fe2 O3 -","- C28 H36 Fe2 O3 -","- C448 H576 Fe32 O48 -","16","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199553","2020-10-21","18:00:00",""
"2102463","42.155","","17.544","","8.67","","90","","90","","90","","6412.05","","","","","","","","","","","","","5","F d d 2","","43","","","","- C30 H50 B Li2 N5 -","- C30 H50 B Li2 N5 -","- C240 H400 B8 Li16 N40 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102464","8.517","","15.921","","9.624","","90","","115.59","","90","","1177","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H24 B2 Cr N2 -","- C6 H24 B2 Cr N2 -","- C24 H96 B8 Cr4 N8 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102465","7.858","","29.601","","20.564","","90","","90","","90","","4783.28","","","","","","","","","","","","","5","F d d 2","","43","","","","- C28 H18 Cr2 Fe O6 -","- C28 H18 Cr2 Fe O6 -","- C224 H144 Cr16 Fe8 O48 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102466","15.848","","45.803","","7.023","","90","","90","","90","","5097.9","","","","","","","","","","","","","7","F d d 2","","43","","","","- C12 H26 F12 N8 O3 P2 Pt -","- C12 F12 N8 O3 P2 Pt -","- C96 F96 N64 O24 P16 Pt8 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102467","21.762","","9.685","","22.073","","90","","114.94","","90","","4218.4","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C36 H36 F12 Mn N4 O8 -","- C36 F12 Mn N4 O8 -","- C144 F48 Mn4 N16 O32 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102468","22.079","","11.562","","21.302","","90","","112.25","","90","","5033.01","","","","","","","","","","","","","6","C 1 2/c 1","","15","","","","- C41 H37 F18 Gd N4 O10 -","- C41 F18 Gd N4 O10 -","- C164 F72 Gd4 N16 O40 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102469","20.932","","20.932","","17.688","","90","","90","","120","","6711.67","","","","","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C22 H57 Cl4 Cu3 N9 O19 -","- C22 Cl4 Cu3 N9 O10 -","- C132 Cl24 Cu18 N54 O60 -","6","0.333333","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","203908","2020-10-21","18:00:00",""
"2102470","13.442","","22.223","","20.912","","90","","94.38","","90","","6228.62","","","","","","","","","","","","","7","C 1 2/c 1","","15","","","","- C60 H42 Ag2 Cd2 N12 O4 S6 -","- C60 Ag2 Cd2 N12 O4 S6 -","- C240 Ag8 Cd8 N48 O16 S24 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102471","20.462","","20.517","","12.867","","90","","90","","90","","5401.81","","","","","","","","","","","","","5","F d d 2","","43","","","","- C16 H41 Cl2 N5 Si4 -","- C16 H41 Cl2 N5 Si4 -","- C128 H328 Cl16 N40 Si32 -","8","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102472","9.2758","","10.736","","9.853","","90","","106.51","","90","","940.756","","","","","","","","","","","","","7","P 1 21 1","","4","","","","- C12 H19 I N2 O6 S Si -","- C12 H19 I N2 O6 S Si -","- C24 H38 I2 N4 O12 S2 Si2 -","2","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102473","8.5317","","9.7835","","11.7665","","112.46","","102.76","","96.79","","862.577","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 As2 Li2 O6 -","- C36 H40 As2 Li2 O6 -","- C36 H40 As2 Li2 O6 -","1","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102474","27.506","","10.44","","19.595","","90","","121.49","","90","","4798.28","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H78 Na O6 Sb -","- C46 H78 Na O6 Sb -","- C184 H312 Na4 O24 Sb4 -","4","0.5","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2102475","13.033","","16.865","","21.579","","90","","94.19","","90","","4730.42","","","","","","","","","","","","","6","P 1 2/n 1","","13","","","","- C46 H38 Cd F8 N6 O6 -","- C46 Cd F8 N6 O6 -","- C184 Cd4 F32 N24 O24 -","4","1","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102476","15.583","","27.28","","13.401","","90","","90","","90","","5696.82","","","","","","","","","","","","","6","P n n n","","48","","","","- C64 H40 Cd F12 N6 O6 -","- C68 Cd2 F12 N8 O8 -","- C272 Cd8 F48 N32 O32 -","4","","BK0142","Marsh, Richard E.","Space group <i>Cc</i>: an update","Acta Crystallographica Section B","2004","60","2","252","253","10.1107/S0108768104003878","","","","","","","","","","","","","","","","","","","","","has coordinates","199552","2020-10-21","18:00:00",""
"2102477","7.5542","0.0006","11.3112","0.0009","13.4773","0.001","90","","95.92","0.006","90","","1145.45","0.15","90","1","90","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4(5)-nitro-5(4)-methoxy-1H-imidazole","","- C4 H5 N3 O3 -","- C4 H5 N3 O3 -","- C32 H40 N24 O24 -","8","1","BK5004","Kubicki, Maciej","Two tautomers in one crystal: 4(5)-nitro-5(4)-methoxyimidazole","Acta Crystallographica Section B","2004","60","2","191","196","10.1107/S0108768104003179","","","0.71073","MoKα","","0.0404","0.0311","","","0.076","0.0795","","","","","","1.103","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102478","7.5542","0.0006","11.3112","0.0009","13.4773","0.001","90","","95.92","0.006","90","","1145.45","0.15","90","1","90","1","","","","","","","","4","C 1 c 1","C -2yc","9","","4(5)-nitro-5(4)-methoxy-1H-imidazole","","- C4 H5 N3 O3 -","- C4 H5 N3 O3 -","- C32 H40 N24 O24 -","8","2","BK5004","Kubicki, Maciej","Two tautomers in one crystal: 4(5)-nitro-5(4)-methoxyimidazole","Acta Crystallographica Section B","2004","60","2","191","196","10.1107/S0108768104003179","","","0.71073","MoKα","","0.0386","0.0285","","","0.0701","0.0735","","","","","","1.06","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102479","15.0687","0.0001","17.6502","0.0002","29.4386","0.0003","90","","90","","90","","7829.65","0.13","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2003vt02vh02b","","","- C56 H122 N2 O51 -","- C56 H92 N2 O51 -","- C224 H368 N8 O204 -","4","1","BM5006","Llamas-Saiz, Antonio L.","Crystal structure of the supramolecular linear polymer formed by the self-assembly of mono-6-deoxy-6-adamantylamide-β-cyclodextrin","Acta Crystallographica Section B","2004","60","2","204","210","10.1107/S0108768104003775","","","1.5418","CuKα","","0.0887","0.085","","","0.244","0.25","","","","","","1.05","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102480","12.871","0.003","23.939","0.005","5.887","0.0012","90","","90","","90","","1813.9","0.7","305","2","305","2","","","","","","","","3","F d d 2","F 2 -2d","43","2-biphenylol","","","- C12 H10 O -","- C12 H9 O -","- C96 H72 O8 -","8","0.5","BS5004","Parkin, Sean; Hao, Xiang; Brock, Carolyn Pratt","2-Biphenylol revisited","Acta Crystallographica Section B","2004","60","2","197","203","10.1107/S0108768104003696","","","0.71073","MoKα","","0.1026","0.0446","","","0.1112","0.1331","","","","","","0.963","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102481","12.874","0.002","23.94","0.003","5.888","0.001","90","","90","","90","","1814.7","0.5","294","2","294","2","","","","","","","","3","F d d 2","F 2 -2d","43","2-biphenylol","","","- C12 H10 O -","- C12 H9 O -","- C96 H72 O8 -","8","0.5","BS5004","Parkin, Sean; Hao, Xiang; Brock, Carolyn Pratt","2-Biphenylol revisited","Acta Crystallographica Section B","2004","60","2","197","203","10.1107/S0108768104003696","","","0.71073","MoKα","","0.0396","0.0332","","","0.0776","0.0812","","","","","","1.045","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102482","12.882","0.001","23.533","0.002","5.7815","0.0008","90","","90","","90","","1752.7","0.3","145","2","145","2","","","","","","","","3","F d d 2","F 2 -2d","43","2-biphenylol","","","- C12 H10 O -","- C12 H9 O -","- C96 H72 O8 -","8","0.5","BS5004","Parkin, Sean; Hao, Xiang; Brock, Carolyn Pratt","2-Biphenylol revisited","Acta Crystallographica Section B","2004","60","2","197","203","10.1107/S0108768104003696","","","0.71073","MoKα","","0.0284","0.0269","","","0.0641","0.0651","","","","","","1.117","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102483","12.875","0.003","23.416","0.005","5.75","0.0012","90","","90","","90","","1733.5","0.7","90","0.2","90","2","","","","","","","","3","F d d 2","F 2 -2d","43","2-biphenylol","","","- C12 H10 O -","- C12 H9 O -","- C96 H72 O8 -","8","0.5","BS5004","Parkin, Sean; Hao, Xiang; Brock, Carolyn Pratt","2-Biphenylol revisited","Acta Crystallographica Section B","2004","60","2","197","203","10.1107/S0108768104003696","","","0.71073","MoKα","","0.0313","0.0298","","","0.0725","0.0738","","","","","","1.078","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102484","7.5284","0.0012","5.8848","0.0009","10.436","0.002","90","","90","","90","","462.35","0.14","175","","175","","","","","","","","","4","","","","","ammonium tetrafluoroberyllate","","- Be F4 H8 N2 -","","","4","","CK5001","Palatinus, Lukáš; Amami, Mongi; van Smaalen, Sander","Structure of incommensurate ammonium tetrafluoroberyllate studied by structure refinements and the maximum entropy method","Acta Crystallographica Section B","2004","60","2","127","137","10.1107/S0108768104000874","","","0.71","synchrotron","","0.0622","0.0341","","","0.0384","0.0399","","","","","","1.99","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2102485","9.951","0.001","12.201","0.001","11.844","0.001","100.4","0.01","102.9","0.01","102.9","0.01","1325.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","diphenyl [(3-phenylthioureido)phenylpropyl]phosphonate","","- C28 H27 N2 O3 P S -","- C28 H27 N2 O3 P S -","- C56 H54 N4 O6 P2 S2 -","2","1","DE5004","Chęcińska, Lilianna; Fábián, László; Kudzin, Zbigniew H.","Structural studies of (<i>N</i>-phenylthioureidoalkyl- and -aryl)phosphonates","Acta Crystallographica Section B","2004","60","2","211","218","10.1107/S0108768104002770","","","1.54178","CuKα","","0.0628","0.0411","","","0.1126","0.1186","","","","","","0.944","","","","has coordinates,has Fobs","301802","2025-08-19","10:18:47",""
"2102486","9.953","0.001","10.046","0.001","12.701","0.001","96.66","0.01","104.45","0.01","99.84","0.01","1194.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","diphenyl [1-(3-phenylthioureido)benzyl]phosphonate","","- C26 H23 N2 O3 P S -","- C26 H23 N2 O3 P S -","- C52 H46 N4 O6 P2 S2 -","2","1","DE5004","Chęcińska, Lilianna; Fábián, László; Kudzin, Zbigniew H.","Structural studies of (<i>N</i>-phenylthioureidoalkyl- and -aryl)phosphonates","Acta Crystallographica Section B","2004","60","2","211","218","10.1107/S0108768104002770","","","1.54178","CuKα","","0.0986","0.038","","","0.0819","0.0903","","","","","","0.999","","","","has coordinates,has Fobs","301802","2025-08-19","10:18:47",""
"2102487","10.688","0.003","9.888","0.002","22.961","0.002","90","","97.79","0.001","90","","2404.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","diphenyl [2,2-dimethyl-1-(3-phenylthioureido)propyl]phosphonate","","- C24 H27 N2 O3 P S -","- C24 H27 N2 O3 P S -","- C96 H108 N8 O12 P4 S4 -","4","1","DE5004","Chęcińska, Lilianna; Fábián, László; Kudzin, Zbigniew H.","Structural studies of (<i>N</i>-phenylthioureidoalkyl- and -aryl)phosphonates","Acta Crystallographica Section B","2004","60","2","211","218","10.1107/S0108768104002770","","","1.54178","CuKα","","0.0605","0.0451","","","0.134","0.1372","","","","","","1.063","","","","has coordinates,has Fobs","301802","2025-08-19","10:18:47",""
"2102488","5.2951","0.0003","8.1213","0.0004","27.256","0.002","90","","90","","90","","1172.09","0.12","100","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Tryptophan Formic acid","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","LC5002","Scheins, Stephan; Dittrich, Birger; Messerschmidt, Marc; Luger, Peter; Paulmann, Carsten","Atomic volumes and charges in a system with a strong hydrogen bond: <small>L</small>-tryptophan formic acid","Acta Crystallographica Section B","2004","60","2","184","190","10.1107/S0108768104001739","","","0.54","Synchrotron","","","0.0223","","","","0.0234","","","","","","1.2389","","","","has coordinates,has Fobs","301802","2025-08-19","10:18:47",""
"2102489","10.56","0.004","10.56","0.004","11.952","0.011","90","","116.216","","90","","1195.7","1.3","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","Sulfuric acid octahydrate","","","- H18 O12 S -","- H18 O12 S -","- H72 O48 S4 -","4","1","NA5005","Hirsch, Tomas K.; Ojamäe, Lars","An investigation of H-atom positions in sulfuric acid crystal structures","Acta Crystallographica Section B","2004","60","2","179","183","10.1107/S0108768104000540","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102490","10.56","0.004","10.56","0.004","11.952","0.011","90","","116.216","","90","","1195.7","1.3","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","Sulfuric acid octahydrate","","","- H18 O12 S -","- H18 O12 S -","- H72 O48 S4 -","4","1","NA5005","Hirsch, Tomas K.; Ojamäe, Lars","An investigation of H-atom positions in sulfuric acid crystal structures","Acta Crystallographica Section B","2004","60","2","179","183","10.1107/S0108768104000540","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102491","6.8182","0.001","26.876","0.005","5.936","0.001","90","","121.42","","90","","928.2","0.3","","","","","","","","","","","","3","I 1 m 1","I -2y","8","","","","- H15 O10.5 S -","- H15 O10.5 S -","- H60 O42 S4 -","4","1","NA5005","Hirsch, Tomas K.; Ojamäe, Lars","An investigation of H-atom positions in sulfuric acid crystal structures","Acta Crystallographica Section B","2004","60","2","179","183","10.1107/S0108768104000540","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102492","6.8182","0.001","26.876","0.005","5.936","0.001","90","","121.42","","90","","928.2","0.3","","","","","","","","","","","","3","I 1 m 1","I -2y","8","","","","- H15 O10.5 S -","- H15 O10.5 S -","- H60 O42 S4 -","4","1","NA5005","Hirsch, Tomas K.; Ojamäe, Lars","An investigation of H-atom positions in sulfuric acid crystal structures","Acta Crystallographica Section B","2004","60","2","179","183","10.1107/S0108768104000540","","","0.71073","MoKα","","","","","","","","","","","","","","","","warnings","has coordinates","301802","2025-08-19","10:18:47",""
"2102493","15.2124","0.0005","18.958","0.0004","23.3561","0.0007","86.713","0.002","85.727","0.002","81.563","0.002","6637","0.3","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","Triphenylsilanol–1,4-diazabicyclo[2.2.2]octane (4/1)","","- C78 H76 N2 O4 Si4 -","- C78 H76 N2 O4 Si4 -","- C312 H304 N8 O16 Si16 -","4","2","NA5012","Turkington, David E.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Hydrogen-bonded adducts of triphenylsilanol with diamines: a finite ten-molecule aggregate, and chain, sheet and framework structures built from O—H···O, O—H···N and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section B","2004","60","2","238","248","10.1107/S0108768104002344","","","0.71073","MoKα","","0.1916","0.0727","","","0.1693","0.2252","","","","","","0.955","","","","has coordinates,has disorder","301802","2025-08-19","10:18:47",""
"2102494","8.6418","0.0002","14.1263","0.0003","16.3149","0.0004","64.5048","0.001","84.1339","0.001","79.7744","0.0013","1768.42","0.07","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","Triphenylsilanol–1,2-bis(4-pyridyl)ethene (4/1)","","- C84 H74 N2 O4 Si4 -","- C84 H74 N2 O4 Si4 -","- C84 H74 N2 O4 Si4 -","1","0.5","NA5012","Turkington, David E.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Hydrogen-bonded adducts of triphenylsilanol with diamines: a finite ten-molecule aggregate, and chain, sheet and framework structures built from O—H···O, O—H···N and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section B","2004","60","2","238","248","10.1107/S0108768104002344","","","0.71073","MoKα","","0.0626","0.0414","","","0.0985","0.1094","","","","","","1.021","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102495","14.6528","0.001","8.1361","0.0004","16.7852","0.001","90","","117.868","0.004","90","","1769","0.19","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triphenylsilanol–N,N'-dimethylpiperazine (2/1)","","- C42 H46 N2 O2 Si2 -","- C42 H46 N2 O2 Si2 -","- C84 H92 N4 O4 Si4 -","2","0.5","NA5012","Turkington, David E.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Hydrogen-bonded adducts of triphenylsilanol with diamines: a finite ten-molecule aggregate, and chain, sheet and framework structures built from O—H···O, O—H···N and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section B","2004","60","2","238","248","10.1107/S0108768104002344","","","0.71073","MoKα","","0.0813","0.0472","","","0.115","0.1326","","","","","","1.034","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102496","8.7793","0.0004","14.3503","0.0007","16.8948","0.0006","76.612","0.002","88.287","0.002","83.816","0.002","2058.58","0.16","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","Triphenylsilanol–1,2-bis(4-pyridyl)ethane–water (2/1/1)","","- C48 H46 N2 O3 Si2 -","- C48 H46 N2 O3 Si2 -","- C96 H92 N4 O6 Si4 -","2","1","NA5012","Turkington, David E.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Hydrogen-bonded adducts of triphenylsilanol with diamines: a finite ten-molecule aggregate, and chain, sheet and framework structures built from O—H···O, O—H···N and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section B","2004","60","2","238","248","10.1107/S0108768104002344","","","0.71073","MoKα","","0.1193","0.0586","","","0.1284","0.1552","","","","","","1.018","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102497","8.9058","0.0004","13.9098","0.0008","16.9083","0.0008","75.053","0.003","88.509","0.003","86.951","0.003","2020.67","0.18","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","Triphenylsilanol–4,4'-bipyridyl–water (2/1/2)","","- C46 H44 N2 O4 Si2 -","- C46 H44 N2 O4 Si2 -","- C92 H88 N4 O8 Si4 -","2","1","NA5012","Turkington, David E.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher","Hydrogen-bonded adducts of triphenylsilanol with diamines: a finite ten-molecule aggregate, and chain, sheet and framework structures built from O—H···O, O—H···N and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section B","2004","60","2","238","248","10.1107/S0108768104002344","","","0.71073","MoKα","","0.1066","0.052","","","0.1082","0.1312","","","","","","1.013","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102498","18.46948","0.00006","16.1745","0.00005","16.82131","0.00005","90","","90","","90","","5025.11","0.03","293","","293","","","","","","","","","2","C m c e","-C 2ac 2","64","","magnesium iridium","","- Ir Mg -","- Ir Mg -","- Ir152 Mg152 -","152","9.5","AV5006","Cerný, Radovan; Renaudin, Guillaume; Favre-Nicolin, Vincent; Hlukhyy, Viktor; Pöttgen, Rainer","Mg~1+<i>x~</i>Ir~1{-~<i>x</i>} (<i>x</i> = 0, 0.037 and 0.054), a binary intermetallic compound with a new orthorhombic structure type determined from powder and single-crystal X-ray diffraction","Acta Crystallographica Section B","2004","60","3","272","281","10.1107/S0108768104009346","","","0.50012","synchrotron","","","","","","","","","","","","","","","","","has coordinates","198532","2020-10-21","18:00:00",""
"2102499","5.8164","0.0003","5.8164","0.0003","5.8164","0.0003","90","","90","","90","","196.772","0.018","","","293","2","","","","","","","","2","F 2 3","","","","","","- Cu2 Se -","- Cu8.24 Se4 -","- Cu8.24 Se4 -","","","AV5007","Machado, K. D.; de Lima, J. C.; Grandi, T. A.; Campos, C. E. M.; Maurmann, C. E.; Gasperini, A. A. M.; Souza, S. M.; Pimenta, A. F.","Structural study of Cu~2{-~<i>x</i>}Se alloys produced by mechanical alloying","Acta Crystallographica Section B","2004","60","3","282","286","10.1107/S0108768104007475","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102500","5.7762","0.0003","5.7762","0.0003","5.7762","0.0003","90","","90","","90","","192.72","0.017","","","293","2","","","","","","","","2","F m -3 m","","","","","","- Cu1.8 Se -","- Cu7.36 Se4 -","- Cu7.36 Se4 -","","","AV5007","Machado, K. D.; de Lima, J. C.; Grandi, T. A.; Campos, C. E. M.; Maurmann, C. E.; Gasperini, A. A. M.; Souza, S. M.; Pimenta, A. F.","Structural study of Cu~2{-~<i>x</i>}Se alloys produced by mechanical alloying","Acta Crystallographica Section B","2004","60","3","282","286","10.1107/S0108768104007475","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102501","7.0281","0.001","6.9388","0.0009","11.5612","0.0015","90","","106.735","0.012","90","","539.92","0.13","295","1","295","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1-phenyl-4-nitro-5-bromo-imidazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C20 H16 Br2 N6 O4 -","2","0.5","BK5005","Kubicki, Maciej","Structural phase transitions, and Br···N and Br···Br interactions in 1-phenyl-2-methyl-4-nitro-5-bromoimidazole","Acta Crystallographica Section B","2004","60","3","333","342","10.1107/S0108768104005853","","","0.71073","MoKα","","0.0343","0.0291","","","0.0718","0.0745","","","","","","1.021","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102502","7.018","0.0014","6.916","0.0012","11.546","0.002","90","","106.41","0.015","90","","537.57","0.17","250","1","250","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1-phenyl-4-nitro-5-bromo-imidazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C20 H16 Br2 N6 O4 -","2","0.5","BK5005","Kubicki, Maciej","Structural phase transitions, and Br···N and Br···Br interactions in 1-phenyl-2-methyl-4-nitro-5-bromoimidazole","Acta Crystallographica Section B","2004","60","3","333","342","10.1107/S0108768104005853","","","0.71073","MoKα","","0.0576","0.0422","","","0.0917","0.0996","","","","","","0.999","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102503","6.9955","0.0009","6.8657","0.0008","22.99","0.002","90","","106.356","0.01","90","","1059.5","0.2","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-phenyl-4-nitro-5-bromo-imidazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C40 H32 Br4 N12 O8 -","4","1","BK5005","Kubicki, Maciej","Structural phase transitions, and Br···N and Br···Br interactions in 1-phenyl-2-methyl-4-nitro-5-bromoimidazole","Acta Crystallographica Section B","2004","60","3","333","342","10.1107/S0108768104005853","","","0.71073","MoKα","","0.0925","0.0492","","","0.1225","0.1366","","","","","","1.127","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102504","6.9854","0.0012","6.8362","0.0009","22.945","0.002","90","","106.466","0.013","90","","1050.8","0.3","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-phenyl-4-nitro-5-bromo-imidazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C40 H32 Br4 N12 O8 -","4","1","BK5005","Kubicki, Maciej","Structural phase transitions, and Br···N and Br···Br interactions in 1-phenyl-2-methyl-4-nitro-5-bromoimidazole","Acta Crystallographica Section B","2004","60","3","333","342","10.1107/S0108768104005853","","","0.71073","MoKα","","0.0947","0.0435","","","0.0838","0.0947","","","","","","1.017","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102505","6.9723","0.0005","6.8169","0.0004","22.9","0.0012","90","","106.478","0.006","90","","1043.72","0.12","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-phenyl-4-nitro-5-bromo-imidazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C40 H32 Br4 N12 O8 -","4","1","BK5005","Kubicki, Maciej","Structural phase transitions, and Br···N and Br···Br interactions in 1-phenyl-2-methyl-4-nitro-5-bromoimidazole","Acta Crystallographica Section B","2004","60","3","333","342","10.1107/S0108768104005853","","","0.71073","MoKα","","0.0407","0.0329","","","0.0651","0.0678","","","","","","1.069","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102506","6.9654","0.001","6.8215","0.001","11.3983","0.0017","92.683","0.013","106.506","0.012","90.277","0.012","518.6","0.14","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","1-phenyl-4-nitro-5-bromo-imidazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C20 H16 Br2 N6 O4 -","2","1","BK5005","Kubicki, Maciej","Structural phase transitions, and Br···N and Br···Br interactions in 1-phenyl-2-methyl-4-nitro-5-bromoimidazole","Acta Crystallographica Section B","2004","60","3","333","342","10.1107/S0108768104005853","","","0.71073","MoKα","","0.0605","0.0578","","","0.16","0.1613","","","","","","1.114","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102507","6.9923","0.0012","6.8497","0.001","22.9702","0.0016","90","","106.419","0.014","90","","1055.3","0.3","170","1","170","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-phenyl-4-nitro-5-bromo-imidazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C40 H32 Br4 N12 O8 -","4","1","BK5005","Kubicki, Maciej","Structural phase transitions, and Br···N and Br···Br interactions in 1-phenyl-2-methyl-4-nitro-5-bromoimidazole","Acta Crystallographica Section B","2004","60","3","333","342","10.1107/S0108768104005853","","","0.71073","MoKα","","0.1008","0.0453","","","0.0886","0.0997","","","","","","1.01","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102508","7.3422","0.0004","12.9876","0.0007","13.9429","0.0008","90","","90","","90","","1329.56","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Di-μ-hydroxobis[cis-diammineplatinum(II)] bis(perchlorate)","","- Cl2 H14 N4 O10 Pt2 -","- Cl2 H12 N4 O10 Pt2 -","- Cl8 H48 N16 O40 Pt8 -","4","1","BM5007","Sakai, Ken; Konno, Yosuke; Takayama, Noboru; Takahashi, Satoru","First bent form for the hydroxo-bridged <i>cis</i>-diammineplatinum(II) dimer [Pt~2~(NH~3~)~4~(μ-OH)~2~](ClO~4~)~2~","Acta Crystallographica Section B","2004","60","3","255","262","10.1107/S0108768104004513","","","0.71073","MoKα","","0.0264","0.0238","","","0.0551","0.0562","","","","","","0.977","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102509","6.963","0.001","12.4686","0.0016","14.854","0.0015","90","","101.01","0.01","90","","1265.9","0.3","0","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","cis-Diaqua-(2,2-bipyridyl-N,N')-copper sulfate","","- C10 H12 Cu N2 O6 S -","- C10 Cu N2 O6 S -","- C40 Cu4 N8 O24 S4 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102510","9.515","0.007","11.909","0.009","13.003","0.01","90","","90","","90","","1473.4","1.9","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","Dinitro-(1,4,7,10-tetra-azacyclododecane) cobalt(iii) chloride monhydrate","","- C8 H22 Cl Co N6 O5 -","- C8 H22 Cl Co N6 O5 -","- C32 H88 Cl4 Co4 N24 O20 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoKα","","0.0289","0.028","","","0.0877","0.0877","","","","","","1.455","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102511","13.1422","0.0015","12.1676","0.0015","34.638","0.004","90","","90","","90","","5538.9","1.1","0","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","3',6'-O-(1,1,3,3-Tetraisopropyl-disiloxane-1,3-diyl)-neplancin A","","- C23 H39 N5 O4 Si2 -","- C23 N5 O4 Si2 -","- C184 N40 O32 Si16 -","8","1","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102512","27.869","0.001","5.771","0.003","11.758","0.005","90","","91.43","0.01","90","","1890.5","1.3","0","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","(R*,R*)-4,4'-Bi(1-t-butylcyclohexen-3-one)","","- C20 H30 O2 -","- C20 O2 -","- C80 O8 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102513","18.63","0.0018","16.61","0.002","16.972","0.003","90","","108.02","0.009","90","","4994.3","1.2","0","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","N-(3-Aminpropyl)-N'-3-(anthracen-9-ylmethyl)aminpropylethane-1,2-diamin)- chloro-copper chloride monhydrate","","- C23 H34 Cl2 Cu N4 O -","- C23 H34 Cl2 Cu N4 O -","- C184 H272 Cl16 Cu8 N32 O8 -","8","1","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2102514","19.036","0.01","6.508","0.002","29.178","0.018","90","","90","","90","","3615","3","0","","","","","","","","","","","6","C 2 2 21","C 2c 2","20","","Calcium bis(phenxypenicillin) dihydrate","","- C32 H38 Ca N4 O12 S2 -","- C32 Ca N4 O12 S2 -","- C128 Ca4 N16 O48 S8 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102515","15.151","0.019","22.13","0.02","6.874","0.005","90","","90","","90","","2305","4","0","","","","","","","","","","","5","C m c 21","C 2c -2","36","","tris(Methyltriethylammonium) bis(dicarbonyl-(4,4',5,5'-tetracyan-2,2'-bi -imidazole-N,N')-iridium) dicyan-(4,4',5,5'-tetracyan-2,2'-bi-imidazole-N,N') -platinum acetonitrile solvate.","","- C21 H18 M N10 O2 -","- C21 H21 N10 O2 Pt -","- C84 H84 N40 O8 Pt4 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","194481","2020-10-21","18:00:00",""
"2102516","6.707","0.001","17.023","0.004","22.938","0.002","90","","90","","90","","2618.9","0.8","0","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","4-(2-Chloro-4,5-dimethoxybenzylidene)-2-methyl-5-oxazolone","","- C13 H12 Cl N O4 -","- C13 H12 Cl N O4 -","- C104 H96 Cl8 N8 O32 -","8","","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102517","23.1914","0.001","8.65","0.001","21.9","0.001","90","","90","","90","","4393.3","0.6","0","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","Insine 5'-monphosphate nnahydrate","","- C10 H33 N4 O18.5 P -","- C10 N4 O18 P -","- C80 N32 O144 P8 -","8","1","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102518","8.626","0.002","28.871","0.008","8.868","0.003","90","","99.02","0.02","90","","2181.2","1.1","0","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-((mu!2$-Acetato-O,O')-(acetato-O,O')-(pyridine)-zinc(ii))","","- C18 H22 N2 O8 Zn2 -","- C18 N2 O8 Zn2 -","- C72 N8 O32 Zn8 -","4","1","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102519","11.78","0.002","9.734","0.002","8.401","0.002","90","","104.05","0.02","90","","934.5","0.3","0","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","bis(Pyridine)-tetra-aqua-iron(ii) diacetate","","- C14 H24 Fe N2 O8 -","- C14 H24 Fe N2 O8 -","- C28 H48 Fe2 N4 O16 -","2","0.25","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","199471","2020-10-21","18:00:00",""
"2102520","17.257","0.004","5.533","0.001","18.053","0.004","90","","98.14","0.02","90","","1706.4","0.6","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","trans-(1,4,8,11-Tetra-azacyclotetradecane)-dioxo-rhenium hexafluorophosphate","","- C10 H24 F6 N4 O2 P Re -","- C10 F6.04 N4 O2 P Re -","- C40 F24.16 N16 O8 P4 Re4 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoKα","","0.086","0.0771","","","0.1851","0.1919","","","","","","1.319","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102521","20.939","0.002","25.243","0.004","16.048","0.001","90","","90","","90","","8482.4","1.7","0","","","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","bis(mu!4$-N,N-Diethylcarbamato-O,O',O'',O''')-tetrakis(mu!3$-N,N-diethylcarba- mato-O,O',O'')-hexakis(mu!2$-N,N-diethylcarbamato-O,O')-hexa-iron","","- C60 H120 Fe6 N12 O24 -","- C60 Fe6 N12 O24 -","- C240 Fe24 N48 O96 -","4","0.25","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102522","29.327","0.012","16.743","0.007","19.458","0.006","90","","90","","90","","9554","6","0","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","bis(2,2'-bis(p-tolylphosphin)-1,1-binaphthyl)-palladium(0) benzene solvate","","- C120 H104 P4 Pd -","- C120 P4 Pd -","- C480 P16 Pd4 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102523","30.123","0.013","7.564","0.006","11.044","0.006","90","","91.27","0.01","90","","2516","3","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","bis(4-Amin-N-2-thiazolylbenzenesulfonamide-N)-dichloro-methanl-copper(ii) bis(Sulfathiazole-N)-dichloro-methanl-copper(ii)","","- C19 H22 Cl2 Cu N6 O5 S4 -","- C19 Cl2 Cu N6 O5 S4 -","- C76 Cl8 Cu4 N24 O20 S16 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoKα","","0.055","0.053","","","0.1556","0.1562","","","","","","1.163","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102524","15.2963","0.0019","6.2028","0.0007","17.815","0.0018","90","","106.196","0.004","90","","1623.2","0.3","0","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(tetrakis(mu!2$-4-Aminbenzoato)-diaqua-di-cadmium tetrahydrate)","","- C14 H18 Cd N2 O7 -","- C14 Cd N2 O7 -","- C56 Cd4 N8 O28 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102525","10.391","0.002","7.252","0.003","20.662","0.002","90","","97.47","0.02","90","","1543.8","0.7","0","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Ferrocenylmethylene-2-phenyl-4H-oxazol-5-one","","- C20 H15 Fe N O2 -","- C20 H15 Fe N O2 -","- C80 H60 Fe4 N4 O8 -","4","1","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","199471","2020-10-21","18:00:00",""
"2102526","13.303","0.003","7.835","0.002","18.169","0.004","90","","90","","90","","1893.7","0.8","0","","293","2","","","","","","","","5","P m n a","-P 2ac 2","53","","bis((mu!2$-Chloro)-diaqua-(2,4-pentanedione-O,O')-magnesium) diaqua-bis(2,4-pe ntanedione-O,O')-magnesium dichloride","","- C20 H44 Cl6 Mg3 O14 -","- C20 Cl6 Mg3 O14 -","- C40 Cl12 Mg6 O28 -","2","0.25","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoKα","","0.166","0.129","","","0.4471","0.4726","","","","","","2.65","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102527","20.639","0.003","16.657","0.003","6.705","0.003","90","","90","","90","","2305.1","1.2","0","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","tris((mu!2$-Cyan)-tetracarbonyl-rhenium)","","- C12 N6 O12 Re3 -","- C12 N6 O12 Re3 -","- C48 N24 O48 Re12 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102528","5.628","0.001","7.207","0.002","13.126","0.002","90","","100.12","0.06","90","","524.1","0.2","0","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-(4'-Cyanphenylthio)-5-methylthiadiazole","","- C10 H7 N3 S2 -","- C10 H7 N3 S2 -","- C20 H14 N6 S4 -","2","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102529","11.183","0.003","11.183","0.003","3.525","0.002","90","","90","","90","","440.8","0.3","0","","","","","","","","","","","4","P 42/m","-P 4c","84","","trans-bis(mu!2$-Chloro)-dichloro-dicarbonyl-di-platinum(ii)","","- C2 Cl4 O2 Pt2 -","- C2 Cl4 O2 Pt2 -","- C4 Cl8 O4 Pt4 -","2","0.25","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102530","7.11","0.004","6.993","0.004","7.678","0.004","90","","117.04","0.04","90","","340","0.3","0","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dihydro-1H-pyrrolizine-3,5(2H,6H)-dione","","- C7 H9 N O2 -","- C7 N O2 -","- C14 N2 O4 -","2","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102531","17.514","0.004","10.639","0.002","20.106","0.004","90","","102.29","0.03","90","","3660.5","1.4","0","","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Dichloro-(S-methyl beta-N-((2-hydroxyphenyl)ethylidene)dithiocarbazato)-bis (triphenylphosphine)-rhenium(v)","","- C38 H33 Cl2 N2 P2 Re S2 -","- C38 Cl2 N2 P2 Re S2 -","- C152 Cl8 N8 P8 Re4 S8 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoKα","","0.0498","0.0492","","","0.2545","0.2588","","","","","","1.182","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102532","16.409","0.003","10.506","0.004","7.825","0.003","90","","90","","90","","1349","0.8","0","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","bis(eta$6!-Benzene)-chromium hydroxide trihydrate","","- C12 H19 Cr O4 -","- C12 H12 Cr O4 -","- C48 H48 Cr4 O16 -","4","","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102533","11.0341","0.001","16.814","0.002","10.844","0.001","90","","90","","90","","2011.9","0.4","0","","","","","","","","","","","6","C m c m","-C 2c 2","63","","mer,trans-Trichloro-phenylimido-bis(trimethylphosphine)-rhenium","","- C12 H23 Cl3 N P2 Re -","- C12 H23 Cl3 N P2 Re -","- C48 H92 Cl12 N4 P8 Re4 -","4","0.25","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","199781","2020-10-21","18:00:00",""
"2102534","11.2624","","9.711","","25.998","","90","","90","","90","","2843.38","","0","","","","","","","","","","","3","C m c m","-C 2c 2","63","","mu!3$-eta$4!,eta$4!-Buta-1,3-dien-1,4-diyl)-(mu!2$-hydrido)-tris (eta$4!-cyclo-octa-1,5-diene)-tri-iridium","","- C12 H13 Ir3 -","- C12 Ir3 -","- C48 Ir12 -","4","0.25","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102535","15.592","0.002","8.642","0.002","16.677","0.002","90","","114.773","0.009","90","","2040.4","0.6","0","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","bis(1,4-Dimethyl-9-triptycyl)ethyne chloroform solvate","","- C48 H36 Cl6 -","- C48 Cl6 -","- C96 Cl12 -","2","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102536","13.869","0.004","10.851","0.003","12.799","0.005","90","","90","","90","","1926.2","1.1","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","tris(1,2-Di-imidobenzene)-technetium(vii) pertechnetate","","- C18 H18 N6 O4 Tc2 -","- C18 N6 Tc2 -","- C72 N24 Tc8 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoKα","","0.1215","0.1215","","","0.6052","0.6059","","","","","","3.25","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102537","8.929","0.002","8.437","0.002","7.542","0.002","90","","92.65","0.03","90","","567.6","0.2","0","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","bis(n-propylamine)dichloropalladium(II)","","- C6 H18 Cl2 N2 Pd -","- C6 H18 Cl2 N2 Pd -","- C12 H36 Cl4 N4 Pd2 -","2","0.25","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102538","11.253","0.002","13.75","0.002","29.289","0.006","78.01","0.02","89.72","0.02","81.16","0.02","4378.6","1.4","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","1-(perfluorobutyl)undecanoic acid","","- C15 H21 F9 O2 -","- C15 H21 F9 O2 -","- C150 H210 F90 O20 -","10","5","DE5003","Lehmler, Hans-Joachim; Parkin, Sean; Brock, Carolyn Pratt","Packing conflicts in the <i>Z</i>' = 5 structure of CF~3~(CF~2~)~3~(CH~2~)~10~COOH","Acta Crystallographica Section B","2004","60","3","325","332","10.1107/S0108768104005609","","","0.71073","MoKα","","0.1305","0.0495","","","0.0869","0.107","","","","","","0.97","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102539","14.0059","0.0001","5.1399","0.0001","41.9853","0.0006","90","","90","","90","","3022.48","0.08","78","2","78","2","","","","","","","","4","P n a 21","P 2c -2n","33","","alpha form of 6-(2',4'-dinitrobenzyl)-2,2'-bipyridine","","- C17 H12 N4 O4 -","- C17 H12 N4 O4 -","- C136 H96 N32 O32 -","8","2","OG0001","Ohashi, Yuji","Packing-dependent photochromism: the case of photoinduced intramolecular proton transfer in 6-(2',4'-dinitrobenzyl)-2,2'-bipyridine","Acta Crystallographica Section B","2004","60","3","343","349","10.1107/S0108768104005506","","","0.71073","MoKα","","0.1017","0.064","","","0.1564","0.1794","","","","","","1.033","","","","has coordinates,has Fobs","301802","2025-08-19","10:18:47",""
"2102540","20.836","0.0003","5.2746","0.0001","14.0971","0.0002","90","","104.457","0.001","90","","1500.24","0.04","78","2","78","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","gamma form of 6-(2',4'-dinitrobenzyl)-2,2'-bipyridine","","- C17 H12 N4 O4 -","- C17 H12 N4 O4 -","- C68 H48 N16 O16 -","4","1","OG0001","Ohashi, Yuji","Packing-dependent photochromism: the case of photoinduced intramolecular proton transfer in 6-(2',4'-dinitrobenzyl)-2,2'-bipyridine","Acta Crystallographica Section B","2004","60","3","343","349","10.1107/S0108768104005506","","","0.71073","MoKα","","0.0573","0.0489","","","0.1413","0.1526","","","","","","1.112","","","","has coordinates,has Fobs","301802","2025-08-19","10:18:47",""
"2102541","8.7336","0.0004","10.959","0.0007","17.2709","0.001","91.232","0.004","92.703","0.004","109.472","0.004","1555.53","0.16","345","2","345","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid","","- C11 H12 O3 -","- C11 H12 O3 -","- C66 H72 O18 -","6","3","WS5009","Fernandes, Manuel A.; Levendis, Demetrius C.; Schoening, F. R. Ludwig","A new polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid: single-to-single-crystal phase transformation and mechanism","Acta Crystallographica Section B","2004","60","3","300","314","10.1107/S0108768104009048","","","0.71073","MoKα","","0.1022","0.0494","","","0.1262","0.1524","","","","","","1.021","","","","has coordinates,has Fobs","301802","2025-08-19","10:18:47",""
"2102542","8.7373","0.0005","11.0167","0.0008","17.295","0.001","91.187","0.004","92.775","0.005","108.938","0.004","1571.62","0.18","375","2","375","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid","","- C11 H12 O3 -","- C11 H12 O3 -","- C66 H72 O18 -","6","3","WS5009","Fernandes, Manuel A.; Levendis, Demetrius C.; Schoening, F. R. Ludwig","A new polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid: single-to-single-crystal phase transformation and mechanism","Acta Crystallographica Section B","2004","60","3","300","314","10.1107/S0108768104009048","","","0.71073","MoKα","","0.1554","0.0492","","","0.1169","0.1569","","","","","","0.876","","","","has coordinates,has Fobs","301802","2025-08-19","10:18:47",""
"2102543","8.6759","0.0011","11.0003","0.0013","17.299","0.002","92.552","0.003","92.347","0.002","111.155","0.003","1535.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C11 H12 O3 -","- C11 H12 O3 -","- C66 H72 O18 -","6","3","WS5009","Fernandes, Manuel A.; Levendis, Demetrius C.; Schoening, F. R. Ludwig","A new polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid: single-to-single-crystal phase transformation and mechanism","Acta Crystallographica Section B","2004","60","3","300","314","10.1107/S0108768104009048","","","0.71073","MoKα","","0.16","0.0678","","","0.1724","0.2202","","","","","","0.904","","","","has coordinates,has disorder,has Fobs","301802","2025-08-19","10:18:47",""
"2102544","8.6452","0.0013","10.8577","0.0017","17.262","0.003","92.47","0.003","92.102","0.003","112.563","0.003","1492.4","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C11 H12 O3 -","- C11 H12 O3 -","- C66 H72 O18 -","6","3","WS5009","Fernandes, Manuel A.; Levendis, Demetrius C.; Schoening, F. R. Ludwig","A new polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid: single-to-single-crystal phase transformation and mechanism","Acta Crystallographica Section B","2004","60","3","300","314","10.1107/S0108768104009048","","","0.71069","MoKα","","0.1075","0.053","","","0.117","0.1357","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102545","8.6452","0.0013","10.8577","0.0017","17.262","0.003","92.47","0.003","92.102","0.003","112.563","0.003","1492.4","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C11 H12 O3 -","- C11 H12 O3 -","- C66 H72 O18 -","6","3","WS5010","Fernandes, Manuel A.; Levendis, D. C.","Photodimerization of the α'-polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid in the solid state. I. Monitoring the reaction at 293K","Acta Crystallographica Section B","2004","60","3","315","324","10.1107/S0108768104007955","","","0.71069","MoKα","","0.1075","0.053","","","0.117","0.1357","","","","","","1.033","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102546","8.6164","0.001","10.8765","0.0014","17.292","0.002","93.157","0.002","92.001","0.002","112.657","0.003","1490.4","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C11 H12 O3 -","- C11 H12 O3 -","- C66 H72 O18 -","6","3","WS5010","Fernandes, Manuel A.; Levendis, D. C.","Photodimerization of the α'-polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid in the solid state. I. Monitoring the reaction at 293K","Acta Crystallographica Section B","2004","60","3","315","324","10.1107/S0108768104007955","","","0.71069","MoKα","","0.1136","0.0525","","","0.1176","0.1416","","","","","","1.002","","","","has coordinates,has disorder","301802","2025-08-19","10:18:47",""
"2102547","8.4919","0.0013","10.9148","0.0017","17.372","0.003","96.027","0.003","91.772","0.003","111.956","0.003","1480.8","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C11 H12 O3 -","- C11 H12 O3 -","- C66 H72 O18 -","6","3","WS5010","Fernandes, Manuel A.; Levendis, D. C.","Photodimerization of the α'-polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid in the solid state. I. Monitoring the reaction at 293K","Acta Crystallographica Section B","2004","60","3","315","324","10.1107/S0108768104007955","","","0.71073","MoKα","","0.1386","0.0624","","","0.1421","0.1715","","","","","","1.034","","","","has coordinates,has disorder","301802","2025-08-19","10:18:47",""
"2102548","8.3863","0.0013","10.9711","0.0018","17.427","0.003","98.323","0.003","91.809","0.003","111.336","0.003","1471.6","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C11 H12 O3 -","- C11 H12 O3 -","- C66 H72 O18 -","6","3","WS5010","Fernandes, Manuel A.; Levendis, D. C.","Photodimerization of the α'-polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid in the solid state. I. Monitoring the reaction at 293K","Acta Crystallographica Section B","2004","60","3","315","324","10.1107/S0108768104007955","","","0.71073","MoKα","","0.1169","0.0543","","","0.1181","0.1395","","","","","","0.985","","","","has coordinates,has disorder","301802","2025-08-19","10:18:47",""
"2102549","8.3099","0.0012","11.0026","0.0016","17.471","0.003","99.768","0.003","91.912","0.003","110.392","0.003","1468.2","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","WS5010","Fernandes, Manuel A.; Levendis, D. C.","Photodimerization of the α'-polymorph of <i>ortho</i>-ethoxy-<i>trans</i>-cinnamic acid in the solid state. I. Monitoring the reaction at 293K","Acta Crystallographica Section B","2004","60","3","315","324","10.1107/S0108768104007955","","","0.71073","MoKα","","0.0878","0.0455","","","0.1014","0.1158","","","","","","1.007","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102550","7.6044","0.0001","7.6044","0.0001","2.9063","0.0001","90","","90","","120","","145.546","0.006","295","","295","","","","","","","","","2","P 63/m","-P 6c","176","β silicon nitride","","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.166667","AV5009","du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F.","Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~","Acta Crystallographica Section B","2004","60","4","388","405","10.1107/S010876810401393X","","","0.75022","synx","","0.0196","0.0196","","0.0146","","0.0146","","","2.0102","","","2.0102","","","","has coordinates","201912","2020-10-21","18:00:00",""
"2102551","7.6044","0.0001","7.6044","0.0001","2.9063","0.0001","90","","90","","120","","145.546","0.006","295","","295","","","","","","","","","2","P 63","P 6c","173","β silicon nitride","","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.333333","AV5009","du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F.","Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~","Acta Crystallographica Section B","2004","60","4","388","405","10.1107/S010876810401393X","","","0.75022","synx","","0.0184","0.0184","","0.0135","","0.0135","","","1.8771","","","1.8771","","","","has coordinates","201912","2020-10-21","18:00:00",""
"2102552","7.6015","0.0003","7.6015","0.0003","2.9061","0.0001","90","","90","","120","","145.425","0.013","200","","295","","","","","","","","","2","P 63/m","-P 6c","176","β silicon nitride","","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.166667","AV5009","du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F.","Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~","Acta Crystallographica Section B","2004","60","4","388","405","10.1107/S010876810401393X","","","0.75037","synx","","0.0136","0.0136","","0.0114","","0.0114","","","1.8857","","","1.8857","","","","has coordinates","201912","2020-10-21","18:00:00",""
"2102553","7.6015","0.0003","7.6015","0.0003","2.9061","0.0001","90","","90","","120","","145.425","0.013","200","","295","","","","","","","","","2","P 63","P 6c","173","β silicon nitride","","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.333333","AV5009","du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F.","Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~","Acta Crystallographica Section B","2004","60","4","388","405","10.1107/S010876810401393X","","","0.75037","synx","","0.0129","0.0129","","0.0106","","0.0106","","","1.7564","","","1.7564","","","","has coordinates","201912","2020-10-21","18:00:00",""
"2102554","7.602","0.0002","7.602","0.0002","2.906","0.0001","90","","90","","120","","145.439","0.009","150","","295","","","","","","","","","2","P 63/m","-P 6c","176","β silicon nitride","","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.166667","AV5009","du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F.","Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~","Acta Crystallographica Section B","2004","60","4","388","405","10.1107/S010876810401393X","","","0.75037","synx","","0.0143","0.0143","","0.0136","","0.0136","","","1.8369","","","1.8369","","","","has coordinates","201912","2020-10-21","18:00:00",""
"2102555","7.602","0.0002","7.602","0.0002","2.906","0.0001","90","","90","","120","","145.439","0.009","150","","295","","","","","","","","","2","P 63","P 6c","173","β silicon nitride","","","- N4 Si3 -","- N4 Si3 -","- N8 Si6 -","2","0.333333","AV5009","du Boulay, D.; Ishizawa, N.; Atake, T.; Streltsov, V.; Furuya, K.; Munakata, F.","Synchrotron X-ray and <i>ab initio</i> studies of β-Si~3~N~4~","Acta Crystallographica Section B","2004","60","4","388","405","10.1107/S010876810401393X","","","0.75037","synx","","0.0149","0.0149","","0.0136","","0.0136","","","1.841","","","1.841","","","","has coordinates","201912","2020-10-21","18:00:00",""
"2102556","11.792","0.001","3.9214","0.0004","10.189","0.001","90","","100.596","0.002","90","","463.12","0.08","295","","295","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Li3 O13 V6 -","- Li3 O13 V6 -","- Li6 O26 V12 -","2","0.25","BM5009","Höwing, Jonas; Gustafsson, Torbjörn; Thomas, John O.","Li~3+{δ~}V~6~O~13~: a short-range-ordered lithium insertion mechanism","Acta Crystallographica Section B","2004","60","4","382","387","10.1107/S0108768104013096","","","0.56083","AgKα","","0.0567","0.0567","","","0.0593","0.0593","","","","","","2.09","","","","has coordinates","133633","2020-10-21","18:00:00",""
"2102557","11.7236","0.0006","3.9155","0.0002","10.1521","0.0005","90","","100.592","0.002","90","","458.08","0.04","295","","295","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Li3.25 O13 V6 -","- Li3.2478 O13 V6 -","- Li6.4956 O26 V12 -","2","0.25","BM5009","Höwing, Jonas; Gustafsson, Torbjörn; Thomas, John O.","Li~3+{δ~}V~6~O~13~: a short-range-ordered lithium insertion mechanism","Acta Crystallographica Section B","2004","60","4","382","387","10.1107/S0108768104013096","","","0.872","synchrotron","","0.0293","0.0293","","","0.048","0.048","","","","","","3.24","","","","has coordinates","133633","2020-10-21","18:00:00",""
"2102558","11.6666","0.0001","8.1343","0.0001","23.8366","0.0002","90","","99.6985","0.0006","90","","2229.75","0.04","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutyl)pentasulfane","","- C16 H24 Cl2 O2 S5 -","- C16 H24 Cl2 O2 S5 -","- C64 H96 Cl8 O8 S20 -","4","1","CK5003","Rae, David; Linden, Anthony; Majchrzak, Agnieszka; Mloston, Grzegorz; Heimgartner, Heinz","Bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)pentasulfane: an Occupancy Modulated Structure","Acta Crystallographica, Section B","2004","60","4","416","423","10.1107/S0108768104010699","","","0.71073","MoKα","","0.0517","0.0325","","","0.0782","0.0863","","","","","","1.035","","","","has coordinates,has disorder","301802","2025-08-19","10:18:47",""
"2102559","11.6666","0.0001","8.1343","0.0001","23.8366","0.0002","90","","99.6985","0.0006","90","","2229.75","0.04","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutyl)pentasulfane","","- C16 H24 Cl2 O2 S5 -","- C16 H24 Cl2 O2 S5 -","- C64 H96 Cl8 O8 S20 -","4","1","CK5003","Rae, David; Linden, Anthony; Majchrzak, Agnieszka; Mloston, Grzegorz; Heimgartner, Heinz","Bis(1-chloro-2,2,4,4-tetramethyl-3-oxocyclobutan-1-yl)pentasulfane: an Occupancy Modulated Structure","Acta Crystallographica, Section B","2004","60","4","416","423","10.1107/S0108768104010699","","","0.71073","MoKα","","","0.039","","","0.059","0.059","","","","","","1.42","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102560","4.185","0.0007","4.185","0.0007","4.185","0.0007","90","","90","","90","","73.3","0.02","190","1","190","1","","","","","","","","3","P m -3 m","-P 4 2 3","221","potassium manganese trifluoride","potassium manganese trifluoride","","- F3 K Mn -","- F3 K Mn -","- F3 K Mn -","1","0.0208333","LC5001","Ivanov, Yury; Tanaka, Kiyoaki","Electron density and electrostatic potential of KMnF~3~: A phase transition study","Acta Crystallographica, Section B","2004","60","3","359","368","10.1107/S0108768104009437","","","0.71069","MoKα","","","0.006","","","0.0086","0.0089","","","","","","0.99","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2102561","4.1869","0.0005","4.1869","0.0005","4.1869","0.0005","90","","90","","90","","73.4","0.02","240","1","240","1","","","","","","","","3","P m -3 m","-P 4 2 3","221","potassium manganese trifluoride","potassium manganese trifluoride","","- F3 K Mn -","- F3 K Mn -","- F3 K Mn -","1","0.0208333","LC5001","Ivanov, Yury; Tanaka, Kiyoaki","Electron density and electrostatic potential of KMnF~3~: A phase transition study","Acta Crystallographica, Section B","2004","60","3","359","368","10.1107/S0108768104009437","","","0.71069","MoKα","","","0.0064","","","0.009","0.0095","","","","","","1.02","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2102562","4.1893","0.0002","4.1893","0.0002","4.1893","0.0002","90","","90","","90","","73.52","0.01","298","1","298","1","","","","","","","","3","P m -3 m","-P 4 2 3","221","potassium manganese trifluoride","potassium manganese trifluoride","","- F3 K Mn -","- F3 K Mn -","- F3 K Mn -","1","0.0208333","LC5001","Ivanov, Yury; Tanaka, Kiyoaki","Electron density and electrostatic potential of KMnF~3~: A phase transition study","Acta Crystallographica, Section B","2004","60","3","359","368","10.1107/S0108768104009437","","","0.71069","MoKα","","","0.0053","","","0.0071","0.0076","","","","","","0.99","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2102563","7.7795","0.0002","19.6931","0.0006","4.90643","0.00011","90","","103.691","0.0015","90","","730.32","0.03","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","hygroscopic alpha-lactose","4-O-beta-D-galactopyranosyl-D-glucopyranose","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","1","LC5007","Cyril Platteau; Jacques Lefebvre; Frederic Affouard; Patrick Derollez","<i>Ab initio</i> structure determination of the hygroscopic anhydrous form of α-lactose by powder X-ray diffraction","Acta Crystallographica Section B","2004","60","4","453","460","10.1107/S0108768104014375","","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102564","3.6673","0.0006","9.7608","0.0019","11.8421","0.0015","97.647","0.013","90.219","0.013","100.537","0.016","412.87","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","2-hydroxyisophthalic acid","2-hydroxybenzene-1,2-dioic acid","","- C8 H8 O6 -","- C8 H8 O6 -","- C16 H16 O12 -","2","1","NA5013","Bawa, Shaleen; Coté, Marie L.; Dubois, Patrick; Lalancette, Roger A.; Thompson, Hugh W.","2-Hydroxyisophthalic acid: hydrogen-bonding patterns in the monohydrate and the tetraphenylphosphonium salt. An instance of dramatic acidity enhancement by symmetric, internally hydrogen-bonded anion stabilization","Acta Crystallographica Section B","2004","60","4","438","446","10.1107/S0108768104012686","","","0.71073","MoKα","","0.084","0.059","","","0.173","0.186","","","","","","1.11","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102565","15.287","0.005","8.027","0.003","22.144","0.007","90","","101.15","0.02","90","","2666","1.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetraphenylphosphonium 2-hydroxyisophthalate","tetraphenylphosphonium 2-hydroxybenzene-1,3-dioate","","- C32 H25 O5 P -","- C32 H25 O5 P -","- C128 H100 O20 P4 -","4","1","NA5013","Bawa, Shaleen; Coté, Marie L.; Dubois, Patrick; Lalancette, Roger A.; Thompson, Hugh W.","2-Hydroxyisophthalic acid: hydrogen-bonding patterns in the monohydrate and the tetraphenylphosphonium salt. An instance of dramatic acidity enhancement by symmetric, internally hydrogen-bonded anion stabilization","Acta Crystallographica Section B","2004","60","4","438","446","10.1107/S0108768104012686","","","0.71073","MoKα","","0.133","0.063","","","0.113","0.137","","","","","","1.01","","","","has coordinates,has Fobs","301802","2025-08-19","10:18:47",""
"2102566","21.3279","0.0008","8.9299","0.0004","8.8382","0.0004","90","","99.4537","0.0017","90","","1660.43","0.12","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","2,2',3,3',4,4'-Hexaacetato-6,6'-bis-O-methylsulfonyl-α,α'-trehalose","","- C26 H38 O21 S2 -","- C26 H38 O21 S2 -","- C52 H76 O42 S4 -","2","0.5","NA5016","Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L.","Supramolecular structures of substituted α,α'-trehalose derivatives","Acta Crystallographica Section B","2004","60","4","461","471","10.1107/S0108768104010912","","","0.71073","MoKα","","0.0575","0.0514","","","0.132","0.1453","","","","","","1.051","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102567","18.1484","0.0009","21.1046","0.0009","23.4224","0.0014","90","","90","","90","","8971.1","0.8","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2',3,3',4,4'-Hexaacetato-6,6'-bis-O-(4-toluenesulfonyl)-α,α'-trehalose","","- C38 H46 O21 S2 -","- C38 H46 O21 S2 -","- C304 H368 O168 S16 -","8","2","NA5016","Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L.","Supramolecular structures of substituted α,α'-trehalose derivatives","Acta Crystallographica Section B","2004","60","4","461","471","10.1107/S0108768104010912","","","0.71073","MoKα","","0.1322","0.0596","","","0.1118","0.1364","","","","","","0.961","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102568","12.2281","0.0004","15.5803","0.0006","18.1066","0.0008","90","","90","","90","","3449.6","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2',3,3',4,4'-Hexaacetato-6,6'-diazido-α,α'-trehalose ethanol solvate","","- C24.7 H34.1 N6 O15.35 -","- C24.7 H34.1 N6 O15.35 -","- C98.8 H136.4 N24 O61.4 -","4","1","NA5016","Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L.","Supramolecular structures of substituted α,α'-trehalose derivatives","Acta Crystallographica Section B","2004","60","4","461","471","10.1107/S0108768104010912","","","0.71073","MoKα","","0.1312","0.0704","","","0.1614","0.1909","","","","","","0.993","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102569","8.8385","0.0002","21.8363","0.0008","8.0831","0.0002","90","","90","","90","","1560.04","0.08","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","2,2',3,3'-Tetraacetato-6,6'-bis(N-acetylamino)-α,α'-trehalose dihydrate","","- C24 H40 N2 O17 -","- C24 H40 N2 O17 -","- C48 H80 N4 O34 -","2","0.5","NA5016","Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L.","Supramolecular structures of substituted α,α'-trehalose derivatives","Acta Crystallographica Section B","2004","60","4","461","471","10.1107/S0108768104010912","","","0.71073","MoKα","","0.0706","0.0546","","","0.1381","0.1475","","","","","","1.12","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102570","8.6093","0.0002","8.6093","0.0002","22.1566","0.0008","90","","90","","90","","1642.25","0.08","120","2","120","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","6,6'-diamino-α,α'-trehalose dihydrate","","- C12 H28 N2 O11 -","- C12 H28 N2 O11 -","- C48 H112 N8 O44 -","4","0.5","NA5016","Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L.","Supramolecular structures of substituted α,α'-trehalose derivatives","Acta Crystallographica Section B","2004","60","4","461","471","10.1107/S0108768104010912","","","0.71073","MoKα","","0.0585","0.0434","","","0.1156","0.1256","","","","","","0.975","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102571","16.1564","0.0006","9.3589","0.0003","8.3326","0.0003","90","","96.333","0.001","90","","1252.25","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Iodo-N-(4-nitrobenzyl)aniline","","- C13 H11 I N2 O2 -","- C13 H11 I N2 O2 -","- C52 H44 I4 N8 O8 -","4","1","NA5018","Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L.","Isomeric iodo-<i>N</i>-(nitrobenzyl)anilines: interplay of hard and soft hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2004","60","4","472","480","10.1107/S0108768104012017","","","0.71073","MoKα","","0.0308","0.0277","","","0.0655","0.0668","","","","","","1.084","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102572","7.0966","0.0002","12.5908","0.0004","13.836","0.0006","90","","90","","90","","1236.27","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Iodo-N-(4-nitrobenzyl))aniline","","- C13 H11 I N2 O2 -","- C13 H11 I N2 O2 -","- C52 H44 I4 N8 O8 -","4","1","NA5018","Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L.","Isomeric iodo-<i>N</i>-(nitrobenzyl)anilines: interplay of hard and soft hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2004","60","4","472","480","10.1107/S0108768104012017","","","0.71073","MoKα","","0.042","0.0297","","","0.0469","0.0495","","","","","","1.013","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102573","21.2778","0.0015","8.1809","0.0005","7.2793","0.0004","90","","94.316","0.002","90","","1263.53","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Iodo-N-(3-nitrobenzyl))aniline","","- C13 H11 I N2 O2 -","- C13 H11 I N2 O2 -","- C52 H44 I4 N8 O8 -","4","1","NA5018","Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L.","Isomeric iodo-<i>N</i>-(nitrobenzyl)anilines: interplay of hard and soft hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2004","60","4","472","480","10.1107/S0108768104012017","","","0.71073","MoKα","","0.0727","0.0352","","","0.058","0.0652","","","","","","0.998","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102574","8.1685","0.0001","10.8834","0.0002","15.4372","0.0002","76.9219","0.0009","80.0727","0.0007","74.2167","0.0007","1277.36","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Iodo-N-(2-nitrobenzyl))aniline","","- C13 H11 I N2 O2 -","- C13 H11 I N2 O2 -","- C52 H44 I4 N8 O8 -","4","2","NA5018","Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L.","Isomeric iodo-<i>N</i>-(nitrobenzyl)anilines: interplay of hard and soft hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2004","60","4","472","480","10.1107/S0108768104012017","","","0.71073","MoKα","","0.0416","0.038","","","0.1034","0.106","","","","","","1.137","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102575","5.0472","0.0002","11.3381","0.0005","16.8796","0.0007","90","","94.331","0.003","90","","963.19","0.07","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","3-carboethoxy-6-benzyloxy-4-methoxymethyl-beta carboline","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C46 H44 N4 O8 -","2","1","NA5019","Ferretti, Valeria; Gilli, Paola; Borea, Pier Andrea","Structural features controlling the binding of β-carbolines to the benzodiazepine receptor","Acta Crystallographica Section B","2004","60","4","481","489","10.1107/S0108768104013564","","","0.7107","MoKα","","0.0543","0.0434","","","0.0978","0.1033","","","","","","1.077","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102576","9.9033","0.0005","11.5758","0.0004","17.1805","0.0009","90","","90","","90","","1969.55","0.16","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ZK91296","3-carboxyethoxy-5-benzyloxy-4-methoxymethyl-beta-carboline","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C92 H88 N8 O16 -","4","1","NA5019","Ferretti, Valeria; Gilli, Paola; Borea, Pier Andrea","Structural features controlling the binding of β-carbolines to the benzodiazepine receptor","Acta Crystallographica Section B","2004","60","4","481","489","10.1107/S0108768104013564","","","0.7107","MoKα","","0.0785","0.0482","","","0.0974","0.1105","","","","","","1.04","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102577","14.3632","0.0005","7.6804","0.0002","19.6712","0.0007","90","","90.934","0.0012","90","","2169.74","0.12","293","","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-carbomethylamide-beta-carboline","3-carbomethylamide-beta-carboline","","- C13 H11 N3 O -","- C13 H11 N3 O -","- C104 H88 N24 O8 -","8","1","NA5019","Ferretti, Valeria; Gilli, Paola; Borea, Pier Andrea","Structural features controlling the binding of β-carbolines to the benzodiazepine receptor","Acta Crystallographica Section B","2004","60","4","481","489","10.1107/S0108768104013564","","","0.7107","MoKα","","0.0723","0.0482","","","0.1253","0.1484","","","","","","1.125","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102578","16.9891","0.0004","12.5409","0.0003","13.7967","0.0004","90","","121.896","0.0011","90","","2495.67","0.11","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","harmine hydrochloride","1-methyl-7-methoxy-beta-carboline hydrochloride hemihydrate","","- C13 H14 Cl N2 O1.5 -","- C13 H14 Cl N2 O1.5 -","- C104 H112 Cl8 N16 O12 -","8","1","NA5019","Ferretti, Valeria; Gilli, Paola; Borea, Pier Andrea","Structural features controlling the binding of β-carbolines to the benzodiazepine receptor","Acta Crystallographica Section B","2004","60","4","481","489","10.1107/S0108768104013564","","","0.7107","MoKα","","0.0819","0.0472","","","0.1058","0.1285","","","","","","1.136","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102579","10.5077","0.0009","13.2881","0.0012","13.515","0.0012","90","","101.924","0.001","90","","1846.3","0.3","90","0.2","90","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","knime","HIV protease inhibitor KNI272: iQoa-Mta-Apns-Thz-tBu methanol","","- C34 H45 N5 O7 S2 -","- C34 H45 N5 O7 S2 -","- C68 H90 N10 O14 S4 -","2","1","OG5001","Doi, Mitsunobu; Kimura, Tooru; Ishida, Toshimasa; Kiso, Yoshiaki","Rigid backbone moiety of KNI-272, a highly selective HIV protease inhibitor: methanol, acetone and dimethylsulfoxide solvated forms of 3-[3-benzyl-2-hydroxy-9-(isoquinolin-5-yloxy)-6-methylsulfanylmethyl-5,8-dioxo-4,7-diazanonanoyl]-<i>N</i>-<i>tert</i>-butyl-1,3-thiazolidine-4-carboxamide","Acta Crystallographica Section B","2004","60","4","433","437","10.1107/S0108768104013047","","","0.71073","MoKα","","0.0349","0.0333","","","0.0835","0.0846","","","","","","1.026","","","","has coordinates,has disorder","301802","2025-08-19","10:18:47",""
"2102580","29.39","0.006","12.882","0.003","10.609","0.002","90","","103.373","0.003","90","","3907.7","1.4","90","0.2","90","0.2","","","","","","","","5","C 1 2 1","C 2y","5","","HIV protease inhibitor KNI272: iQoa-Mta-Apns-Thz-tBu dimethylsuloxide","","- C35 H47 N5 O7 S3 -","- C35 H47 N5 O7 S3 -","- C140 H188 N20 O28 S12 -","4","1","OG5001","Doi, Mitsunobu; Kimura, Tooru; Ishida, Toshimasa; Kiso, Yoshiaki","Rigid backbone moiety of KNI-272, a highly selective HIV protease inhibitor: methanol, acetone and dimethylsulfoxide solvated forms of 3-[3-benzyl-2-hydroxy-9-(isoquinolin-5-yloxy)-6-methylsulfanylmethyl-5,8-dioxo-4,7-diazanonanoyl]-<i>N</i>-<i>tert</i>-butyl-1,3-thiazolidine-4-carboxamide","Acta Crystallographica Section B","2004","60","4","433","437","10.1107/S0108768104013047","","","0.71073","MoKα","","0.0526","0.0443","","","0.1136","0.1184","","","","","","0.992","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102581","10.6395","0.0007","13.213","0.0009","14.6921","0.001","90","","98.931","0.001","90","","2040.4","0.2","90","0.2","90","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","knia","HIV protease inhibitor KNI272: iQoa-Mta-Apns-Thz-tBu diacetone","","- C39 H53 N5 O8 S2 -","- C39 H53 N5 O8 S2 -","- C78 H106 N10 O16 S4 -","2","1","OG5001","Doi, Mitsunobu; Kimura, Tooru; Ishida, Toshimasa; Kiso, Yoshiaki","Rigid backbone moiety of KNI-272, a highly selective HIV protease inhibitor: methanol, acetone and dimethylsulfoxide solvated forms of 3-[3-benzyl-2-hydroxy-9-(isoquinolin-5-yloxy)-6-methylsulfanylmethyl-5,8-dioxo-4,7-diazanonanoyl]-<i>N</i>-<i>tert</i>-butyl-1,3-thiazolidine-4-carboxamide","Acta Crystallographica Section B","2004","60","4","433","437","10.1107/S0108768104013047","","","0.71073","MoKα","","0.0295","0.0286","","","0.0729","0.0736","","","","","","1.034","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102582","7.114","0.0002","3.57177","0.0001","6.2846","0.00017","90","","90.069","0.003","90","","159.689","0.008","293","","295","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","vanadium pentoxide","divanadium pentoxide","","- O5 V2 -","- O5 V2 -","- O10 V4 -","2","0.5","SN0038","Filonenko, V. P.; Sundberg, M.; Werner, P.-E.; Zibrov, I. P.","Structure of a high-pressure phase of vanadium pentoxide, β-V~2~O~5~","Acta Crystallographica Section B","2004","60","4","375","381","10.1107/S0108768104012881","","neutron","1.47","neutron","","","","","","","","","","1.07","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102584","11.9503","0.0019","7.9347","0.0013","12.1664","0.0019","90","","118.321","0.003","90","","1015.6","0.3","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-benzylideneaniline","","- C13 H11 N -","- C13 H11 N -","- C52 H44 N4 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0858","0.0461","","","0.1117","0.1354","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","301802","2025-08-19","10:18:47",""
"2102585","11.8429","0.0009","7.7182","0.0005","12.1211","0.0009","90","","118.341","0.001","90","","975.14","0.12","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-benzylideneaniline","","- C13 H11 N -","- C13 H11 N -","- C52 H44 N4 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0427","0.0351","","","0.0953","0.103","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102586","6.6639","0.0007","30.878","0.003","7.6091","0.0009","90","","133.576","0.002","90","","1134.3","0.2","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-benzylidene-4-carboxyaniline","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0698","0.0603","","","0.1536","0.1596","","","","","","1.112","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102587","6.6193","0.0005","30.381","0.002","7.5764","0.0006","90","","134.151","0.001","90","","1093.21","0.14","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-benzylidene-4-carboxyaniline","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0466","0.0448","","","0.1123","0.1134","","","","","","1.133","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102588","15.5033","0.0012","7.2979","0.0005","12.7983","0.0008","90","","123.625","0.001","90","","1205.74","0.15","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-nitroaniline","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.073","0.0441","","","0.1064","0.1253","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","301802","2025-08-19","10:18:47",""
"2102589","15.4449","0.0013","7.107","0.0005","12.6557","0.0009","90","","123.37","0.001","90","","1160.15","0.15","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-nitroaniline","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0476","0.0368","","","0.1004","0.1095","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","301802","2025-08-19","10:18:47",""
"2102590","12.8889","0.0008","7.1007","0.0004","14.0304","0.0008","90","","102.815","0.001","90","","1252.08","0.13","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-nitrobenzylidene)-4-methoxyaniline","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0675","0.0462","","","0.12","0.1414","","","","","","1.018","","","","has coordinates,has Fobs","301802","2025-08-19","10:18:47",""
"2102591","12.7478","0.0007","6.9429","0.0004","13.998","0.0008","90","","102.446","0.001","90","","1209.8","0.12","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-nitrobenzylidene)-4-methoxyaniline","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.042","0.0381","","","0.106","0.1108","","","","","","1.05","","","","has coordinates,has Fobs","301802","2025-08-19","10:18:47",""
"2102592","7.1098","0.0005","12.5649","0.0009","14.3814","0.001","72.617","0.001","83.926","0.001","86.144","0.001","1218.33","0.15","300","","300","","","","","","","","","4","P -1","-P 1","2","","N-(4-nitrobenzylidene)-4-methylaniline","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","2","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0791","0.0499","","","0.128","0.15","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","301802","2025-08-19","10:18:47",""
"2102593","6.961","0.0004","12.3496","0.0007","14.3296","0.0008","73.168","0.001","82.719","0.001","85.061","0.001","1167.99","0.11","90","","90","","","","","","","","","4","P -1","-P 1","2","","N-(4-nitrobenzylidene)-4-methylaniline","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","2","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0411","0.0375","","","0.1066","0.1105","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","301802","2025-08-19","10:18:47",""
"2102594","10.2529","0.0006","12.644","0.0007","18.2037","0.001","90","","95.998","0.001","90","","2347","0.2","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-methoxybenzylidene)aniline","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","2","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.1194","0.0566","","","0.113","0.1472","","","","","","1.012","","","","has coordinates,has Fobs","301802","2025-08-19","10:18:47",""
"2102595","10.0666","0.0013","12.6374","0.0017","17.732","0.002","90","","95.226","0.003","90","","2246.4","0.5","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-methoxybenzylidene)aniline","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","2","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0546","0.0425","","","0.1079","0.1176","","","","","","1.029","","","","has coordinates,has Fobs","301802","2025-08-19","10:18:47",""
"2102596","12.2403","0.0008","13.8088","0.0009","7.4287","0.0005","90","","90","","90","","1255.63","0.14","300","","300","","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(4-methoxybenzylidene)-4-methylaniline","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0773","0.0545","","","0.1415","0.1614","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","301802","2025-08-19","10:18:47",""
"2102597","12.0319","0.0017","13.819","0.0019","7.263","0.001","90","","90","","90","","1207.6","0.3","90","","90","","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(4-methoxybenzylidene)-4-methylaniline","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","BK5007","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Torsional vibration and central bond length of <i>N</i>-benzylideneanilines","Acta Crystallographica Section B","2004","60","5","578","588","10.1107/S0108768104016532","","","0.71073","MoKα","","0.0356","0.0338","","","0.091","0.0925","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102598","14.6363","0.0011","10.8175","0.0008","14.7228","0.0011","90","","101.943","0.001","90","","2280.6","0.3","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-nitrobenzylidene)aniline","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","2","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.1245","0.0649","","","0.1367","0.1741","","","","","","1.032","","","","has coordinates,has disorder","301802","2025-08-19","10:18:47",""
"2102599","14.4053","0.0011","10.7367","0.0008","14.7627","0.0012","90","","101.617","0.002","90","","2236.5","0.3","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-nitrobenzylidene)aniline","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","2","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0671","0.0466","","","0.1138","0.1309","","","","","","1.024","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102600","14.2105","0.0012","10.6596","0.0009","14.8045","0.0012","90","","101.228","0.002","90","","2199.6","0.3","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-nitrobenzylidene)aniline","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","2","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0463","0.0391","","","0.1059","0.112","","","","","","1.021","","","","has coordinates,has Fobs","301802","2025-08-19","10:18:47",""
"2102601","5.9663","0.0005","7.3989","0.0007","13.7221","0.0012","90","","99.12","0.002","90","","598.09","0.09","300","","300","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N-(4-chlorobenzylidene)-4-methylaniline","","- C14 H12 Cl N -","- C14 H12 Cl N -","- C28 H24 Cl2 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0781","0.0599","","","0.1746","0.1948","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102602","5.9174","0.0005","7.2879","0.0006","13.7049","0.00011","90","","99.233","0.002","90","","583.37","0.07","200","","200","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N-(4-chlorobenzylidene)-4-methylaniline","","- C14 H12 Cl N -","- C14 H12 Cl N -","- C28 H24 Cl2 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0604","0.053","","","0.1412","0.1477","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102603","5.8827","0.0006","7.1953","0.0007","13.6919","0.0014","90","","99.385","0.002","90","","571.79","0.1","90","","90","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N-(4-chlorobenzylidene)-4-methylaniline","","- C14 H12 Cl N -","- C14 H12 Cl N -","- C28 H24 Cl2 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0628","0.0591","","","0.1378","0.1414","","","","","","0.602","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102604","9.8766","0.0007","4.8839","0.0004","12.0187","0.0009","90","","90.499","0.001","90","","579.72","0.08","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-methylaniline","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0645","0.0518","","","0.1371","0.1489","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102605","9.8649","0.0006","4.8663","0.0003","11.9484","0.0008","90","","90.518","0.001","90","","573.57","0.06","250","","250","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-methylaniline","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0565","0.0477","","","0.1271","0.1346","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102606","9.8565","0.0006","4.8494","0.0003","11.8748","0.0007","90","","90.561","0.001","90","","567.57","0.06","200","","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-methylaniline","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0522","0.0454","","","0.1269","0.1342","","","","","","1.079","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102607","9.8477","0.0006","4.8327","0.0003","11.7991","0.0007","90","","90.631","0.001","90","","561.5","0.06","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-methylaniline","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0482","0.0433","","","0.1206","0.1261","","","","","","1.059","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102608","9.8184","0.0006","4.8159","0.0003","11.7536","0.0007","90","","90.689","0.001","90","","555.72","0.06","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-methylaniline","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0436","0.0406","","","0.1171","0.1207","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102609","9.7961","0.0006","4.8169","0.0003","11.7947","0.0007","90","","90.614","0.001","90","","556.52","0.06","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-methylaniline","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0457","0.0417","","","0.1185","0.1228","","","","","","1.053","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102610","9.8177","0.0005","4.815","0.0003","11.7497","0.0006","90","","90.691","0.001","90","","555.39","0.05","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-methylaniline","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0442","0.0402","","","0.1145","0.1187","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102611","9.8781","0.0007","4.8848","0.0004","12.0214","0.0009","90","","90.488","0.001","90","","580.04","0.08","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-methylaniline","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0652","0.0508","","","0.1358","0.149","","","","","","1.059","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102612","9.8785","0.0007","4.8853","0.0003","12.0209","0.0008","90","","90.489","0.001","90","","580.1","0.07","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-methylaniline","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0685","0.0535","","","0.145","0.1584","","","","","","1.065","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102613","9.7951","0.0005","4.8164","0.0003","11.7933","0.0007","90","","90.617","0.001","90","","556.34","0.06","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(4-methylbenzylidene)-4-methylaniline","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","0.5","BK5008","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of <i>N</i>-benzylideneanilines in crystals","Acta Crystallographica Section B","2004","60","5","589","597","10.1107/S0108768104016623","","","0.71073","MoKα","","0.0466","0.0426","","","0.12","0.1245","","","","","","1.054","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102614","4.2279","0.001","8.009","0.002","13.569","0.003","101.18","0.005","98.946","0.005","102.349","0.005","430.91","0.18","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","bi-(4-pyridyl-N-oxide).1,4-diiodo-2,3,5,6-tetrafluorobenzene","","- C16 H8 F4 I2 N2 O2 -","- C16 H8 F4 I2 N2 O2 -","- C16 H8 F4 I2 N2 O2 -","1","0.5","BS5005","Riccardo Bianchi; Alessandra Forni; Tullio Pilati","Experimental Electron Density Study of the Supramolecular Aggregation between 4,4'-dipyridyl-N,N'-dioxide and 1,4-diiodotetrafluorobenzene at 90K","Acta Crystallographica, Section B","2004","60","4","559","568","10.1107/S0108768104014557","","","0.71073","MoKα","","0.0272","","","","","0.0504","","","","","","1.014","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102615","16.0682","0.0006","16.0682","0.0006","11.5317","0.0009","90","","90","","120","","2578.4","0.2","105","2","105","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","L-Isoleucyl-L-isoleucine nitrate","","- C13.08 H25 N3 O6 -","- C13.081 H25 N3 O6 -","- C78.486 H150 N18 O36 -","6","1","DE5006","Görbitz, Carl Henrik","A crystallographic titration of the dipeptide <small>L</small>-isoleucyl-<small>L</small>-isoleucine","Acta Crystallographica Section B","2004","60","5","569","577","10.1107/S0108768104014569","","","0.71073","MoKα","","0.1079","0.0682","","","0.1612","0.1808","","","","","","1.058","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102616","16.2957","0.0019","23.426","0.002","9.5842","0.0009","90","","90","","90","","3658.7","0.6","105","2","105","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","L-Isoleucyl-L-isoleucine L-Isoleucyl-L-isoleucinium nitrate acetonitrile solvate","","- C13.8 H27.2 N3.4 O4.7 -","- C13.812 H27.218 N3.399 O4.674 -","- C110.496 H217.744 N27.192 O37.392 -","8","2","DE5006","Görbitz, Carl Henrik","A crystallographic titration of the dipeptide <small>L</small>-isoleucyl-<small>L</small>-isoleucine","Acta Crystallographica Section B","2004","60","5","569","577","10.1107/S0108768104014569","","","0.71073","MoKα","","0.0545","0.0472","","","0.1238","0.129","","","","","","1.14","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2102617","7.6341","0.0003","12.5335","0.0006","16.3923","0.0007","90","","90","","90","","1568.45","0.12","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Isoleucyl-L-isoleucine dihydrate","","- C12 H28 N2 O5 -","- C12 H28 N2 O5 -","- C48 H112 N8 O20 -","4","1","DE5006","Görbitz, Carl Henrik","A crystallographic titration of the dipeptide <small>L</small>-isoleucyl-<small>L</small>-isoleucine","Acta Crystallographica Section B","2004","60","5","569","577","10.1107/S0108768104014569","","","0.71073","MoKα","","0.0333","0.0294","","","0.0782","0.0795","","","","","","1.048","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102618","6.7765","0.0015","9.718","0.002","11.882","0.003","81.58","0.003","80.484","0.003","88.35","0.003","763.4","0.3","105","2","105","2","","","","","","","","4","P 1","P 1","1","","Ammonium L-Leucyl-L-Leucinate","","- C12 H27 N3 O3 -","- C12 H27 N3 O3 -","- C24 H54 N6 O6 -","2","2","DE5006","Görbitz, Carl Henrik","A crystallographic titration of the dipeptide <small>L</small>-isoleucyl-<small>L</small>-isoleucine","Acta Crystallographica Section B","2004","60","5","569","577","10.1107/S0108768104014569","","","0.71073","MoKα","","0.083","0.0443","","","0.0928","0.108","","","","","","0.983","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102619","11.667","0.011","10.803","0.011","15.868","0.016","90","","108.2","0.09","90","","1900","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","catechol dinosylate","2-{[(4-nitrophenoxy)sulfonyl]oxy}phenyl 4-nitrophenyl sulfate","","- C18 H12 N2 O10 S2 -","- C18 H12 N2 O10 S2 -","- C72 H48 N8 O40 S8 -","4","0.5","DE5007","Munro, Orde Quentin; Mariah, Lynette","Conformational analysis: crystallographic, molecular mechanics and quantum chemical studies of C—H···O hydrogen bonding in the flexible bis(nosylate) derivative of catechol","Acta Crystallographica Section B","2004","60","5","598","608","10.1107/S0108768104019846","","","0.71073","MoKα","","0.0524","0.0458","","","0.1111","0.1157","","","","","","1.145","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102620","10.634","0.001","9.131","0.001","11.03","0.001","90","","108.076","0.002","90","","1018.14","0.17","150","5","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Br2 Cl6 N2 O2 Pt -","- C10 H14 Br2 Cl6 N2 O2 Pt -","- C20 H28 Br4 Cl12 N4 O4 Pt2 -","2","0.5","DE5008","Zordan, Fiorenzo; Brammer, Lee","Water molecules insert into N—H···Cl—<i>M</i> hydrogen bonds while <i>M</i>—Cl···<i>X</i>—C halogen bonds remain intact in dihydrates of halopyridinium hexachloroplatinates","Acta Crystallographica Section B","2004","60","5","512","519","10.1107/S0108768104016064","","","0.71073","MoKα","","0.0283","0.0235","","","0.0662","0.0688","","","","","","0.997","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102621","7.968","0.002","7.32","0.002","18.243","0.004","90","","100.3","0.004","90","","1046.9","0.5","150","5","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C10 H14 Cl6 I2 N2 O2 Pt -","- C10 H14 Cl6 I2 N2 O2 Pt -","- C20 H28 Cl12 I4 N4 O4 Pt2 -","2","0.5","DE5008","Zordan, Fiorenzo; Brammer, Lee","Water molecules insert into N—H···Cl—<i>M</i> hydrogen bonds while <i>M</i>—Cl···<i>X</i>—C halogen bonds remain intact in dihydrates of halopyridinium hexachloroplatinates","Acta Crystallographica Section B","2004","60","5","512","519","10.1107/S0108768104016064","","","0.71073","MoKα","","0.0594","0.039","","","0.0892","0.0969","","","","","","1.069","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102622","7.395","0.002","11.002","0.002","13.727","0.003","97.453","0.003","95.101","0.003","103.968","0.003","1066.2","0.4","150","5","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H14 Cl6 I2 N2 O2 Pt -","- C10 H14 Cl6 I2 N2 O2 Pt -","- C20 H28 Cl12 I4 N4 O4 Pt2 -","2","1","DE5008","Zordan, Fiorenzo; Brammer, Lee","Water molecules insert into N—H···Cl—<i>M</i> hydrogen bonds while <i>M</i>—Cl···<i>X</i>—C halogen bonds remain intact in dihydrates of halopyridinium hexachloroplatinates","Acta Crystallographica Section B","2004","60","5","512","519","10.1107/S0108768104016064","","","0.71073","MoKα","","0.0744","0.0589","","","0.1821","0.1935","","","","","","1.034","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102623","4.797","0.002","7.673","0.002","15.654","0.004","96.98","0.02","97.03","0.02","103.34","0.02","549.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Br I N2 O3 -","- C8 H6 Br I N2 O3 -","- C16 H12 Br2 I2 N4 O6 -","2","1","NA5014","Demartin, Francesco; Filippini, Giuseppe; Gavezzotti, Angelo; Rizzato, Silvia","X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano","Acta Crystallographica Section B","2004","60","5","609","620","10.1107/S0108768104014466","","","0.71073","MoKα","","0.0342","0.0313","","0.0984","0.0853","","","","","1.088","1.088","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102624","13.644","0.001","9.55","0.001","8.754","0.001","90","","121.31","0.02","90","","974.5","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H5 N3 O6 -","- C7 H5 N3 O6 -","- C28 H20 N12 O24 -","4","0.5","NA5014","Demartin, Francesco; Filippini, Giuseppe; Gavezzotti, Angelo; Rizzato, Silvia","X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano","Acta Crystallographica Section B","2004","60","5","609","620","10.1107/S0108768104014466","","","0.71073","MoKα","","0.048","0.0342","","0.1465","0.1232","","","","0.811","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102625","7.7","0.002","8.329","0.002","8.694","0.002","87.89","0.01","65.1","0.01","67.33","0.01","461.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H5 N3 O6 -","- C7 H5 N3 O6 -","- C14 H10 N6 O12 -","2","1","NA5014","Demartin, Francesco; Filippini, Giuseppe; Gavezzotti, Angelo; Rizzato, Silvia","X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano","Acta Crystallographica Section B","2004","60","5","609","620","10.1107/S0108768104014466","","","0.71073","MoKα","","0.0419","0.0368","","0.1112","0.1059","","","","1.063","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102626","9.686","0.002","11.368","0.002","9.976","0.002","90","","98.74","0.02","90","","1085.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O5 -","- C9 H9 N3 O5 -","- C36 H36 N12 O20 -","4","1","NA5014","Demartin, Francesco; Filippini, Giuseppe; Gavezzotti, Angelo; Rizzato, Silvia","X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano","Acta Crystallographica Section B","2004","60","5","609","620","10.1107/S0108768104014466","","","0.71073","MoKα","","0.0597","0.0511","","0.1651","0.1519","","","","1.057","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102627","10.43","0.002","9.991","0.002","9.574","0.002","90","","99.51","0.01","90","","984","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N2 O3 -","- C9 H10 N2 O3 -","- C36 H40 N8 O12 -","4","1","NA5014","Demartin, Francesco; Filippini, Giuseppe; Gavezzotti, Angelo; Rizzato, Silvia","X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano","Acta Crystallographica Section B","2004","60","5","609","620","10.1107/S0108768104014466","","","0.71073","MoKα","","0.0816","0.0482","","0.1573","0.135","","","","1.045","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102628","12.239","0.002","10.582","0.002","13.582","0.003","90","","90","","90","","1759","0.6","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C14 H14 N6 O8 -","- C14 H14 N6 O8 -","- C56 H56 N24 O32 -","4","0.5","NA5014","Demartin, Francesco; Filippini, Giuseppe; Gavezzotti, Angelo; Rizzato, Silvia","X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano","Acta Crystallographica Section B","2004","60","5","609","620","10.1107/S0108768104014466","","","0.71073","MoKα","","0.0426","0.0368","","0.1193","0.1098","","","","1.146","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102629","10.0091","0.0016","10.0091","0.0016","22.467","0.006","90","","90","","90","","2250.8","0.8","293","2","293","2","","","","","","","Synthetic","4","I 41/a c d :2","-I 4bd 2c","142","Barium copper cyclosilicate","Barium copper cyclosilicate","Colinowensite","- Ba Cu O6 Si2 -","- Ba Cu O6 Si2 -","- Ba16 Cu16 O96 Si32 -","16","0.5","NA5017","Sparta, Karine M.; Roth, Georg","Reinvestigation of the structure of BaCuSi~2~O~6~ – evidence for a phase transition at high temperature","Acta Crystallographica Section B","2004","60","5","491","495","10.1107/S0108768104011644","","","0.71069","MoKα","","0.0592","0.0283","","","0.0414","0.0424","","","","","","1.261","","","","has coordinates","282068","2023-03-26","10:12:31",""
"2102630","7.1104","0.0013","7.1104","0.0013","11.175","0.003","90","","90","","90","","565","0.2","640","2","640","2","","","","","","","Synthetic","4","I 4/m m m","-I 4 2","139","Barium copper cyclosilicate","Barium copper cyclosilicate","","- Ba Cu O6 Si2 -","- Ba Cu O6 Si2 -","- Ba4 Cu4 O24 Si8 -","4","0.125","NA5017","Sparta, Karine M.; Roth, Georg","Reinvestigation of the structure of BaCuSi~2~O~6~ – evidence for a phase transition at high temperature","Acta Crystallographica Section B","2004","60","5","491","495","10.1107/S0108768104011644","","","0.71069","MoKα","","0.0217","0.0153","","","0.0249","0.0251","","","","","","1.023","","","","has coordinates","282068","2023-03-26","10:12:31",""
"2102631","25.169","0.003","15.018","0.003","19.429","0.004","90","","93.3","0.02","90","","7332","2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","Ba@C74","endohedral Barium fullerene [74]","","- C122 H56 Ba Co N4 -","- C122 Ba Co N4 -","- C488 Ba4 Co4 N16 -","4","1","NA5020","Karen Friese; Martin Panthöfer; Guang Wu; Martin Jansen","?","Acta Crystallographica, Section B","2004","60","4","520","527","10.1107/S010876810401451X","","","0.643","synchrotron","","0.265","0.1309","","","0.1455","0.1862","","","","","","2.44","","","","has coordinates","192328","2020-10-21","18:00:00",""
"2102632","12.2832","0.0006","18.0705","0.0015","10.4767","0.0003","90","","90.106","0.003","90","","2325.4","0.2","300","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 B2 Br6 F8 Fe N24 -","- C18 H30 B2 Br6 F8 Fe N24 -","- C36 H60 B4 Br12 F16 Fe2 N48 -","2","0.5","NA5021","Dova, Eva; Peschar, René; Sakata, Makoto; Kato, Kenichi; Stassen, Arno F.; Schenk, Henk; Haasnoot, Jaap G.","Structures of Fe^II^ spin-crossover complexes from synchrotron powder-diffraction data","Acta Crystallographica Section B","2004","60","5","528","538","10.1107/S0108768104015356","","","0.999995","synchrotron","","","","","","","","","","6.38","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102633","11.9297","0.0007","17.8169","0.0008","10.2874","0.0003","90","","89.992","0.002","90","","2186.59","0.17","300","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 B2 Br6 F8 Fe N24 -","- C18 H30 B2 Br6 F8 Fe N24 -","- C36 H60 B4 Br12 F16 Fe2 N48 -","2","0.5","NA5021","Dova, Eva; Peschar, René; Sakata, Makoto; Kato, Kenichi; Stassen, Arno F.; Schenk, Henk; Haasnoot, Jaap G.","Structures of Fe^II^ spin-crossover complexes from synchrotron powder-diffraction data","Acta Crystallographica Section B","2004","60","5","528","538","10.1107/S0108768104015356","","","0.999995","synchrotron","","","","","","","","","","6.62","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102634","12.6425","0.00019","18.0349","0.0003","10.64881","0.00015","90","","90.308","0.0011","90","","2427.96","0.06","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 B2 F8 Fe I6 N24 -","- C18 H30 B2 F8 Fe I6 N24 -","- C36 H60 B4 F16 Fe2 I12 N48 -","2","0.5","NA5021","Dova, Eva; Peschar, René; Sakata, Makoto; Kato, Kenichi; Stassen, Arno F.; Schenk, Henk; Haasnoot, Jaap G.","Structures of Fe^II^ spin-crossover complexes from synchrotron powder-diffraction data","Acta Crystallographica Section B","2004","60","5","528","538","10.1107/S0108768104015356","","","0.75003","synchrotron","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102635","12.3177","0.0003","17.6766","0.0004","10.4685","0.0003","90","","90.5991","0.0017","90","","2279.23","0.1","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 B2 F8 Fe I6 N24 -","- C18 H30 B2 F8 Fe I6 N24 -","- C36 H60 B4 F16 Fe2 I12 N48 -","2","0.5","NA5021","Dova, Eva; Peschar, René; Sakata, Makoto; Kato, Kenichi; Stassen, Arno F.; Schenk, Henk; Haasnoot, Jaap G.","Structures of Fe^II^ spin-crossover complexes from synchrotron powder-diffraction data","Acta Crystallographica Section B","2004","60","5","528","538","10.1107/S0108768104015356","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102636","9.082","0.001","7.847","0.0007","15.197","0.0008","90","","96.842","0.005","90","","1075.32","0.16","122.4","0.5","122.4","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium tetraaqua dimethanol dihydrogen phthalate","Magnesium tetraaqua dimethanol dihydrogen phthalate","","- C18 H26 Mg O14 -","- C18 H26 Mg O14 -","- C36 H52 Mg2 O28 -","2","0.5","NS5001","Langkilde, A.; Madsen, D.; Larsen, S.","Structures of three salts of phthalic acid; variation in crystal packing and geometry of the hydrogen phthalate ion","Acta Crystallographica Section B","2004","60","5","502","511","10.1107/S0108768104018051","","","0.71073","MoKα","","0.0711","0.0435","","","0.1187","0.1481","","","","","","1.228","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102637","23.289","0.005","10.279","0.003","15.298","0.002","90","","93.8","0.02","90","","3654.1","1.4","122.4","0.5","122.4","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","diethylammonium hydrogen phtalate","Diethylammonium hydrogen phthalate","","- C12 H17 N O4 -","- C12 H17 N O4 -","- C144 H204 N12 O48 -","12","3","NS5001","Langkilde, A.; Madsen, D.; Larsen, S.","Structures of three salts of phthalic acid; variation in crystal packing and geometry of the hydrogen phthalate ion","Acta Crystallographica Section B","2004","60","5","502","511","10.1107/S0108768104018051","","","1.5418","CuKα","","0.0494","0.0346","","","0.0854","0.094","","","","","","1.03","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102638","7.179","0.003","9.0034","0.0017","24.61","0.004","90","","98.76","0.02","90","","1572.1","0.8","122.4","0.5","122.4","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(2'-pyridylamino)-pyridinium hydrogen phthalate","2-(2'-pyridylamino)-pyridinium hydrogen phthalate","","- C18 H15 N3 O4 -","- C18 H14 N3 O4 -","- C72 H56 N12 O16 -","4","1","NS5001","Langkilde, A.; Madsen, D.; Larsen, S.","Structures of three salts of phthalic acid; variation in crystal packing and geometry of the hydrogen phthalate ion","Acta Crystallographica Section B","2004","60","5","502","511","10.1107/S0108768104018051","","","0.7107","MoKα","","0.0734","0.054","","","0.1373","0.149","","","","","","1.176","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102639","11.279","0.002","20.634","0.004","19.542","0.004","90","","90","","90","","4548","1.5","10","2","10","2","","","","","","","","3","P b 21 a","P -2a -2ab","29","3,5-di-tert-butylpyrazole","","","- C11 H20 N2 -","- C11 H20 N2 -","- C176 H320 N32 -","16","4","TA5008","Sobolev, Alexandre N.; White, Allan H.","Temperature dependence of the crystal structure of 3,5-di-<i>tert</i>-butylpyrazole from 10K","Acta Crystallographica Section B","2004","60","5","621","625","10.1107/S0108768104017380","","","0.71073","MoKα","","0.0485","0.04","","","0.0956","0.1015","","","","","","1.068","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102640","11.366","0.002","20.654","0.005","19.723","0.004","90","","90","","90","","4630","1.7","100","2","100","2","","","","","","","","3","P b 21 a","P -2a -2ab","29","3,5-di-tert-butylpyrazole","","","- C11 H20 N2 -","- C11 H20 N2 -","- C176 H320 N32 -","16","4","TA5008","Sobolev, Alexandre N.; White, Allan H.","Temperature dependence of the crystal structure of 3,5-di-<i>tert</i>-butylpyrazole from 10K","Acta Crystallographica Section B","2004","60","5","621","625","10.1107/S0108768104017380","","","0.71073","MoKα","","0.1001","0.0787","","","0.1994","0.2257","","","","","","1.155","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102641","11.356","0.002","20.637","0.004","9.85","0.002","90","","90","","90","","2308.4","0.8","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,5-di-tert-butylpyrazole","","","- C11 H20 N2 -","- C11 H20 N2 -","- C88 H160 N16 -","8","1","TA5008","Sobolev, Alexandre N.; White, Allan H.","Temperature dependence of the crystal structure of 3,5-di-<i>tert</i>-butylpyrazole from 10K","Acta Crystallographica Section B","2004","60","5","621","625","10.1107/S0108768104017380","","","0.71073","MoKα","","0.0972","0.0634","","","0.1419","0.1616","","","","","","1.081","","","","has coordinates,has disorder","301802","2025-08-19","10:18:47",""
"2102642","11.482","0.001","21.13","0.002","9.992","0.001","90","","90","","90","","2424.2","0.4","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,5-di-tert-butylpyrazole","","","- C11 H20 N2 -","- C11 H20 N2 -","- C88 H160 N16 -","8","1","TA5008","Sobolev, Alexandre N.; White, Allan H.","Temperature dependence of the crystal structure of 3,5-di-<i>tert</i>-butylpyrazole from 10K","Acta Crystallographica Section B","2004","60","5","621","625","10.1107/S0108768104017380","","","0.71073","MoKα","","0.154","0.0897","","","0.2633","0.3347","","","","","","0.985","","","","has coordinates,has disorder","301802","2025-08-19","10:18:47",""
"2102643","7.3837","0.0008","7.4622","0.0006","13.3949","0.0012","96.204","0.007","98.046","0.008","90.943","0.008","726.12","0.12","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- Cr2 K2 O7 -","- Cr2 K2 O7 -","- Cr8 K8 O28 -","4","2","BK0147","Weakley, T. J. R.; Ylvisaker, E. R.; Yager, R. J.; Stephens, J. E.; Wiegel, R. D.; Mengis, M.; Bauer, M. R.; Wu, P.; Photinos, P.; Abrahams, S. C.","Phase transitions in K~2~Cr~2~O~7~ and structural redeterminations of phase II","Acta Crystallographica, Section B: Structural Science","2004","60","6","705","715","10.1107/s010876810402333x","","","0.71073","MoKα","","0.053","0.029","","0.081","","0.042","","","1.86","","","1.95","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102644","7.3807","0.0009","7.4593","0.0011","13.391","0.0016","96.205","0.011","98.033","0.01","90.914","0.012","725.37","0.16","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- Cr2 K2 O7 -","- Cr2 K2 O7 -","- Cr8 K8 O28 -","4","2","BK0147","Weakley, T. J. R.; Ylvisaker, E. R.; Yager, R. J.; Stephens, J. E.; Wiegel, R. D.; Mengis, M.; Bauer, M. R.; Wu, P.; Photinos, P.; Abrahams, S. C.","Phase transitions in K~2~Cr~2~O~7~ and structural redeterminations of phase II","Acta Crystallographica, Section B: Structural Science","2004","60","6","705","715","10.1107/s010876810402333x","","","0.71073","MoKα","","0.036","0.025","","0.074","","0.04","","","1.58","","","1.74","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102645","26.645","0.006","7.6902","0.0014","5.7223","0.0008","90","","90","","90","","1172.5","0.4","293","2","293","2","","","","","","","","4","C c c 2","C 2 -2c","37","","Bis(4-bromophenyl) ether","","- C12 H8 Br2 O -","- C12 H8 Br2 O -","- C48 H32 Br8 O4 -","4","0.5","BM5012","Eriksson, Lars; Eriksson, Johan; Hu, Jiwei","Di-<i>p</i>-bromophenyl ether, a redetermined crystal structure derived from low-quality diffraction data","Acta Crystallographica Section B","2004","60","6","734","738","10.1107/S0108768104023225","","","0.71073","MoKα","","0.1488","0.0629","","","0.1172","0.1482","","","","","","1.005","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102646","10.735","0.002","11.067","0.003","14.259","0.004","75.65","0.017","83.84","0.02","61.096","0.019","1436.6","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H62 N10 O8 P6 -","- C58 H62 N10 O8 P6 -","- C58 H62 N10 O8 P6 -","1","0.5","BM5015","Coles, Simon J; Davies, David B.; Hursthouse, Michael B.; Kiliç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Yenilmez Çiftçi, Gonul","Structural investigations of phosphorus–nitrogen compounds. 6. Relationships between molecular parameters in per-<i>X</i>-substituted bridged spermine derivatives and basicity constants Σα<i>R</i> of substituents","Acta Crystallographica Section B","2004","60","6","739","747","10.1107/S0108768104025947","","","0.71073","MoKα","","0.0661","0.0551","","","0.1453","0.152","","","","","","1.069","","","","has coordinates,has Fobs","301802","2025-08-19","10:18:47",""
"2102647","9.871","0.002","29.741","0.006","11.838","0.002","90","","106.18","0.03","90","","3337.7","1.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H46 N10 O8 P6 -","- C22 H46 N10 O8 P6 -","- C88 H184 N40 O32 P24 -","4","1","BM5015","Coles, Simon J; Davies, David B.; Hursthouse, Michael B.; Kiliç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Yenilmez Çiftçi, Gonul","Structural investigations of phosphorus–nitrogen compounds. 6. Relationships between molecular parameters in per-<i>X</i>-substituted bridged spermine derivatives and basicity constants Σα<i>R</i> of substituents","Acta Crystallographica Section B","2004","60","6","739","747","10.1107/S0108768104025947","","","0.71073","MoKα","","0.1409","0.0629","","","0.1246","0.1541","","","","","","0.964","","","","has coordinates,has Fobs","301802","2025-08-19","10:18:47",""
"2102648","11.0388","0.0002","30.2194","0.0005","17.8858","0.0004","90","","93.002","0.001","90","","5958.3","0.2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C64 H68 N10 P6 -","- C64 H68 N10 P6 -","- C256 H272 N40 P24 -","4","0.5","BM5015","Coles, Simon J; Davies, David B.; Hursthouse, Michael B.; Kiliç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Yenilmez Çiftçi, Gonul","Structural investigations of phosphorus–nitrogen compounds. 6. Relationships between molecular parameters in per-<i>X</i>-substituted bridged spermine derivatives and basicity constants Σα<i>R</i> of substituents","Acta Crystallographica Section B","2004","60","6","739","747","10.1107/S0108768104025947","","","0.71073","MoKα","","0.0608","0.0419","","","0.1008","0.1095","","","","","","1.023","","","","has coordinates,has Fobs","301802","2025-08-19","10:18:47",""
"2102649","13.112","0.003","15.16","0.003","17.546","0.004","81.67","0.03","74.73","0.03","67.08","0.03","3095.5","1.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H70 N18 O P6 -","- C58 H70 N18 O P6 -","- C116 H140 N36 O2 P12 -","2","1","BM5015","Coles, Simon J; Davies, David B.; Hursthouse, Michael B.; Kiliç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Yenilmez Çiftçi, Gonul","Structural investigations of phosphorus‒nitrogen compounds. 6. Relationships between molecular parameters in per-<i>X</i>-substituted bridged spermine derivatives and basicity constants Σα<i>R</i> of substituents","Acta Crystallographica Section B","2004","60","6","739","747","10.1107/S0108768104025947","","","0.71073","MoKα","","0.221","0.0662","","","0.1213","0.1683","","","","","","0.934","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102650","30.586","0.01","9.66","0.002","18.449","0.005","90","","94.599","0.01","90","","5433","3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 N18 P6 -","- C42 H54 N18 P6 -","- C168 H216 N72 P24 -","4","1","BM5015","Coles, Simon J; Davies, David B.; Hursthouse, Michael B.; Kiliç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Yenilmez Çiftçi, Gonul","Structural investigations of phosphorus‒nitrogen compounds. 6. Relationships between molecular parameters in per-<i>X</i>-substituted bridged spermine derivatives and basicity constants Σα<i>R</i> of substituents","Acta Crystallographica Section B","2004","60","6","739","747","10.1107/S0108768104025947","","","0.71073","MoKα","","0.2388","0.1174","","","0.2218","0.2772","","","","","","1.103","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102651","13.476","0.003","14.437","0.003","16.34","0.003","111.28","0.03","96.87","0.03","93.69","0.03","2921","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H102 N18 P6 -","- C42 H102 N18 P6 -","- C84 H204 N36 P12 -","2","1","BM5015","Coles, Simon J; Davies, David B.; Hursthouse, Michael B.; Kiliç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Yenilmez Çiftçi, Gonul","Structural investigations of phosphorus–nitrogen compounds. 6. Relationships between molecular parameters in per-<i>X</i>-substituted bridged spermine derivatives and basicity constants Σα<i>R</i> of substituents","Acta Crystallographica Section B","2004","60","6","739","747","10.1107/S0108768104025947","","","0.71073","MoKα","","0.0652","0.0412","","","0.0999","0.1104","","","","","","1.021","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102652","4.9863","0.0002","4.9863","0.0002","13.2142","0.0007","90","","90","","120","","284.53","0.02","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102653","4.9106","0.0002","4.9106","0.0002","13.2286","0.0009","90","","90","","120","","276.26","0.02","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102654","4.8593","0.0002","4.8593","0.0002","13.2329","0.0009","90","","90","","120","","270.6","0.02","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102655","4.786","0.0003","4.786","0.0003","13.237","0.001","90","","90","","120","","262.58","0.03","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102656","4.7189","0.0002","4.7189","0.0002","13.219","0.001","90","","90","","120","","254.92","0.02","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102657","4.6639","0.0002","4.6639","0.0002","13.192","0.001","90","","90","","120","","248.51","0.02","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102658","4.6382","0.0002","4.6382","0.0002","13.172","0.001","90","","90","","120","","245.4","0.02","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102659","4.6265","0.0003","4.6265","0.0003","13.163","0.001","90","","90","","120","","244","0.03","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Chromium Fluoride","","- Cr F3 -","- Cr F3 -","- Cr6 F18 -","6","0.166667","CK5004","Jοrgensen, J.-E.; Marshall, W.G.; Smith, R.I.","The compression mechanism of CrF~3~","Acta Crystallographica Section B","2004","60","6","669","673","10.1107/S010876810402316X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102660","8.248","0.001","19.679","0.003","10.581","0.001","90","","90","","90","","1717.4","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","trans-2-hydroxy-cycloheptanecarboxamide","","- C8 H15 N O2 -","- C8 H15 N O2 -","- C64 H120 N8 O16 -","8","1","DE5011","Kálmán, Alajos; Fábián, László; Argay, Gyula; Bernáth, Gábor; Cs. Gyarmati, Zsuzsanna","Different forms of antiparallel stacking of hydrogen-bonded antidromic rings in the solid state: polymorphism with virtually the same unit cell and two-dimensional isostructurality with alternating layers","Acta Crystallographica Section B","2004","60","6","755","762","10.1107/S0108768104024553","","","0.71073","MOkα","","0.0894","0.0453","","","0.1298","0.1451","","","","","","0.846","","","","has coordinates","301802","2025-08-19","10:18:47",""
"2102661","12.1008","0.0008","3.0113","0.0002","10.41","0.0006","90","","92.258","0.004","90","","379.04","0.04","299","","299","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga4.8 Na0.8 O10 Ti1.2 -","- Ga4.808 Na0.807 O10 Ti1.192 -","- Ga9.616 Na1.614 O20 Ti2.384 -","2","0.25","LC5009","Michiue, Yuichi; Sato, Akira","Structure Refinements of Na~0.8~Ti~1.2~Ga~4.8~O~10~ at Low Temperatures: X-Ray Diffraction Analysis for Sodium Ion Distribution in a One-Dimensional Tunnel-like Space","Acta Crystallographica, Section B","2004","60","6","692","697","10.1107/S0108768104023328","","","0.71069","MoKα","","0.0367","0.028","","","0.0672","0.0685","","","","","","1.17","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102662","12.0848","0.0012","3.0101","0.0003","10.4014","0.0009","90","","92.187","0.005","90","","378.09","0.06","173","","173","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga4.8 Na0.8 O10 Ti1.2 -","- Ga4.81 Na0.811 O10 Ti1.19 -","- Ga9.62 Na1.622 O20 Ti2.38 -","2","0.25","LC5009","Michiue, Yuichi; Sato, Akira","Structure Refinements of Na~0.8~Ti~1.2~Ga~4.8~O~10~ at Low Temperatures: X-Ray Diffraction Analysis for Sodium Ion Distribution in a One-Dimensional Tunnel-like Space","Acta Crystallographica, Section B","2004","60","6","692","697","10.1107/S0108768104023328","","","0.71069","MoKα","","0.0399","0.0293","","","0.0658","0.0673","","","","","","1.06","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102663","12.0828","0.0009","3.0099","0.0003","10.4045","0.0007","90","","92.192","0.004","90","","378.11","0.05","123","","123","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga4.8 Na0.8 O10 Ti1.2 -","- Ga4.804 Na0.804 O10 Ti1.196 -","- Ga9.608 Na1.608 O20 Ti2.392 -","2","0.25","LC5009","Michiue, Yuichi; Sato, Akira","Structure Refinements of Na~0.8~Ti~1.2~Ga~4.8~O~10~ at Low Temperatures: X-Ray Diffraction Analysis for Sodium Ion Distribution in a One-Dimensional Tunnel-like Space","Acta Crystallographica, Section B","2004","60","6","692","697","10.1107/S0108768104023328","","","0.71069","MoKα","","0.0392","0.0282","","","0.0634","0.0651","","","","","","1.04","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102664","12.1008","0.0008","3.0113","0.0002","10.41","0.0006","90","","92.258","0.004","90","","379.04","0.04","299","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga4.8 Na0.8 O10 Ti1.2 -","- Ga4.8 Na0.8 O10 Ti1.2 -","- Ga9.6 Na1.6 O20 Ti2.4 -","2","0.25","LC5009","Michiue, Yuichi; Sato, Akira","Structure Refinements of Na~0.8~Ti~1.2~Ga~4.8~O~10~ at Low Temperatures: X-Ray Diffraction Analysis for Sodium Ion Distribution in a One-Dimensional Tunnel-like Space","Acta Crystallographica, Section B","2004","60","6","692","697","10.1107/S0108768104023328","","","0.71069","MoKα","","0.0367","0.028","","","0.0677","0.069","","","","","","1.18","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102665","12.1008","0.0008","3.0113","0.0002","10.41","0.0006","90","","92.258","0.004","90","","379.04","0.04","299","","299","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga4.8 Na0.8 O10 Ti1.2 -","- Ga4.806 Na0.81 O10 Ti1.194 -","- Ga9.612 Na1.62 O20 Ti2.388 -","2","0.25","LC5009","Michiue, Yuichi; Sato, Akira","Structure Refinements of Na~0.8~Ti~1.2~Ga~4.8~O~10~ at Low Temperatures: X-Ray Diffraction Analysis for Sodium Ion Distribution in a One-Dimensional Tunnel-like Space","Acta Crystallographica, Section B","2004","60","6","692","697","10.1107/S0108768104023328","","","0.71069","MoKα","","0.0367","0.028","","","0.0672","0.0685","","","","","","1.17","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102666","12.0848","0.0012","3.0101","0.0003","10.4014","0.0009","90","","92.187","0.005","90","","378.09","0.06","173","","173","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga4.8 Na0.8 O10 Ti1.2 -","- Ga4.808 Na0.808 O10 Ti1.192 -","- Ga9.616 Na1.616 O20 Ti2.384 -","2","0.25","LC5009","Michiue, Yuichi; Sato, Akira","Structure Refinements of Na~0.8~Ti~1.2~Ga~4.8~O~10~ at Low Temperatures: X-Ray Diffraction Analysis for Sodium Ion Distribution in a One-Dimensional Tunnel-like Space","Acta Crystallographica, Section B","2004","60","6","692","697","10.1107/S0108768104023328","","","0.71069","MoKα","","0.0402","0.0296","","","0.0662","0.0678","","","","","","1.07","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102667","12.0848","0.0012","3.0101","0.0003","10.4014","0.0009","90","","92.187","0.005","90","","378.09","0.06","173","","173","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga4.8 Na0.8 O10 Ti1.2 -","- Ga4.812 Na0.82 O10 Ti1.188 -","- Ga9.624 Na1.64 O20 Ti2.376 -","2","0.25","LC5009","Michiue, Yuichi; Sato, Akira","Structure Refinements of Na~0.8~Ti~1.2~Ga~4.8~O~10~ at Low Temperatures: X-Ray Diffraction Analysis for Sodium Ion Distribution in a One-Dimensional Tunnel-like Space","Acta Crystallographica, Section B","2004","60","6","692","697","10.1107/S0108768104023328","","","0.71069","MoKα","","0.0399","0.0293","","","0.0657","0.0673","","","","","","1.06","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102668","12.0828","0.0009","3.0099","0.0003","10.4045","0.0007","90","","92.192","0.004","90","","378.11","0.05","123","","123","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga4.8 Na0.8 O10 Ti1.2 -","- Ga4.802 Na0.802 O10 Ti1.198 -","- Ga9.604 Na1.604 O20 Ti2.396 -","2","0.25","LC5009","Michiue, Yuichi; Sato, Akira","Structure Refinements of Na~0.8~Ti~1.2~Ga~4.8~O~10~ at Low Temperatures: X-Ray Diffraction Analysis for Sodium Ion Distribution in a One-Dimensional Tunnel-like Space","Acta Crystallographica, Section B","2004","60","6","692","697","10.1107/S0108768104023328","","","0.71069","MoKα","","0.0395","0.0285","","","0.0642","0.0659","","","","","","1.05","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102669","12.0828","0.0009","3.0099","0.0003","10.4045","0.0007","90","","92.192","0.004","90","","378.11","0.05","123","","123","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ga4.8 Na0.8 O10 Ti1.2 -","- Ga4.804 Na0.8 O10 Ti1.196 -","- Ga9.608 Na1.6 O20 Ti2.392 -","2","0.25","LC5009","Michiue, Yuichi; Sato, Akira","Structure Refinements of Na~0.8~Ti~1.2~Ga~4.8~O~10~ at Low Temperatures: X-Ray Diffraction Analysis for Sodium Ion Distribution in a One-Dimensional Tunnel-like Space","Acta Crystallographica, Section B","2004","60","6","692","697","10.1107/S0108768104023328","","","0.71069","MoKα","","0.0392","0.0282","","","0.0634","0.0651","","","","","","1.04","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102670","16.075","0.003","15.88","0.003","5.6008","0.0009","90","","90","","90","","1429.7","0.4","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Lithium bis(oxalato)borate hydrate","Lithium bis(oxalato)borate hydrate","","- C4 H2 B Li O9 -","- C4 H2 B Li O9 -","- C32 H16 B8 Li8 O72 -","8","1","TA5011","Zavalij, Peter Y.; Yang, Shoufeng; Whittingham, M. Stanley","Structural chemistry of new lithium bis(oxalato)borate solvates","Acta Crystallographica Section B","2004","60","6","716","724","10.1107/S0108768104022153","","","0.71073","MoKα","","0.0928","0.0597","","","0.0797","0.0889","","","","","","1","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102671","7.6346","0.0008","22.631","0.002","14.9338","0.0016","90","","91.879","0.002","90","","2578.9","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Lithium bis(oxalato)borate acetonitrile","Lithium bis(oxalato)borate acetonitrile","","- C18 H15 B2 Li2 N5 O16 -","- C18 H15 B2 Li2 N5 O16 -","- C72 H60 B8 Li8 N20 O64 -","4","1","TA5011","Zavalij, Peter Y.; Yang, Shoufeng; Whittingham, M. Stanley","Structural chemistry of new lithium bis(oxalato)borate solvates","Acta Crystallographica Section B","2004","60","6","716","724","10.1107/S0108768104022153","","","0.71073","MoKα","","0.0662","0.0423","","","0.0848","0.0896","","","","","","1","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102672","16.3987","0.0016","7.6308","0.0007","10.9904","0.0011","90","","121.201","0.002","90","","1176.4","0.2","110","2","110","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Lithium bis(oxalato)borate acetone","Lithium bis(oxalato)borate acetone","","- C8 H8 B Li O9.33 -","- C8.002 H8.004 B Li O9.334 -","- C32.008 H32.016 B4 Li4 O37.336 -","4","0.5","TA5011","Zavalij, Peter Y.; Yang, Shoufeng; Whittingham, M. Stanley","Structural chemistry of new lithium bis(oxalato)borate solvates","Acta Crystallographica Section B","2004","60","6","716","724","10.1107/S0108768104022153","","","0.71073","MoKα","","0.0611","0.0466","","","0.1227","0.1293","","","","","","1","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102673","8.669","0.0007","8.8519","0.0007","9.3328","0.0008","114.159","0.002","94.764","0.002","106.412","0.002","610.46","0.09","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Lithium bis(oxalato)borate dimethoxyethylene","Lithium bis(oxalato)borate dimethoxyethylene","","- C8 H10 B Li O10 -","- C8 H10 B Li O10 -","- C16 H20 B2 Li2 O20 -","2","1","TA5011","Zavalij, Peter Y.; Yang, Shoufeng; Whittingham, M. Stanley","Structural chemistry of new lithium bis(oxalato)borate solvates","Acta Crystallographica Section B","2004","60","6","716","724","10.1107/S0108768104022153","","","0.71073","MoKα","","0.0388","0.0346","","","0.0935","0.0959","","","","","","1","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102674","9.1327","0.0014","9.6378","0.0015","14.812","0.002","80.64","0.003","79.414","0.003","70.642","0.003","1201.8","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Lithium bis(oxalato)borate 1,3-dioxolane hydrate","Lithium bis(oxalato)borate 1,3-dioxolane hydrate","","- C17 H20 B2 Li2 O23 -","- C17 H20 B2 Li2 O23 -","- C34 H40 B4 Li4 O46 -","2","1","TA5011","Zavalij, Peter Y.; Yang, Shoufeng; Whittingham, M. Stanley","Structural chemistry of new lithium bis(oxalato)borate solvates","Acta Crystallographica Section B","2004","60","6","716","724","10.1107/S0108768104022153","","","0.71073","MoKα","","0.1069","0.0575","","","0.1011","0.1098","","","","","","0.891","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102675","10.2343","0.0005","10.2343","0.0005","10.8245","0.0007","90","","90","","90","","1133.77","0.11","110","2","110","2","","","","","","","","5","I -4","I -4","82","Lithium tetrakis-ethylenecarbonate bis(oxalato)borate","Lithium tetrakis-ethylenecarbonate bis(oxalato)borate","","- C16 H16 B Li O20 -","- C16 H16 B Li O20 -","- C32 H32 B2 Li2 O40 -","2","0.25","TA5011","Zavalij, Peter Y.; Yang, Shoufeng; Whittingham, M. Stanley","Structural chemistry of new lithium bis(oxalato)borate solvates","Acta Crystallographica Section B","2004","60","6","716","724","10.1107/S0108768104022153","","","0.71073","MoKα","","0.0241","0.0239","","","0.0498","0.0499","","","","","","1","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106792","9.9462","","9.9462","","7.1983","","90","","90","","120","","616.701","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb1.56 Ca2.44) (Pb3.06 Ca2.94) (V O4)6 F2","","- Ca5.38 F2 O24 Pb4.62 V6 -","- Ca5.38 F2 O24 Pb4.62 V6 -","- Ca5.38 F2 O24 Pb4.62 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. I. Disequilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","138","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","159187","2020-10-21","18:00:00",""
"2106793","10.0011","","10.0011","","7.1993","","90","","90","","120","","623.615","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb1.12 Ca2.88) (Pb3.78 Ca2.22) (V O4)6 (F0.6 O0.7)","","- Ca5.1 F0.6 O24.7 Pb4.9 V6 -","- Ca5.1 F0.6 O24.7 Pb4.9 V6 -","- Ca5.1 F0.6 O24.7 Pb4.9 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. I. Disequilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","138","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","159188","2020-10-21","18:00:00",""
"2106794","10.0025","","10.0025","","7.1858","","90","","90","","120","","622.62","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb0.64 Ca3.36) (Pb4.14 Ca1.86) (V O4)6 (F0.6 O0.7)","","- Ca5.22 F0.6 O24.7 Pb4.78 V6 -","- Ca5.22 F0.6 O24.7 Pb4.78 V6 -","- Ca5.22 F0.6 O24.7 Pb4.78 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. I. Disequilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","138","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","159189","2020-10-21","18:00:00",""
"2106795","9.737","","9.7358","","7.00572","","90","","90","","120.002","","575.137","","","","","","","","","","","","","4","P 1 1 21/m","-P 2c","11","","Ca10 (V O4)6 (F0.9 O0.05)2","","- Ca10 F1.8 O24.1 V6 -","- Ca10 F1.8 O24.1 V6 -","- Ca10 F1.8 O24.1 V6 -","1","0.25","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. II. Equilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2106796","9.7835","","9.7835","","7.0318","","90","","90","","120","","582.889","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb0.57 Ca9.43) (V O4)6 (F0.9 O0.05)2","","- Ca9.43 F1.8 O24.1 Pb0.57 V6 -","- Ca9.46 F1.8 O24.1 Pb0.54 V6 -","- Ca9.46 F1.8 O24.1 Pb0.54 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. II. Equilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","159191","2020-10-21","18:00:00",""
"2106797","9.8208","","9.8208","","7.0521","","90","","90","","120","","589.037","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb1.33 Ca8.67) (V O4)6 (F0.81 O0.095)2","","- Ca8.67 F1.62 O24.19 Pb1.33 V6 -","- Ca8.72 F1.62 O24.2 Pb1.28 V6 -","- Ca8.72 F1.62 O24.2 Pb1.28 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. II. Equilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","159192","2020-10-21","18:00:00",""
"2106798","9.9175","","9.9175","","7.1154","","90","","90","","120","","606.086","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb3.01 Ca6.99) (V O4)6 (F0.79 O0.105)2","","- Ca6.99 F1.58 O24.21 Pb3.01 V6 -","- Ca7 F1.58 O24.22 Pb3 V6 -","- Ca7 F1.58 O24.22 Pb3 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. II. Equilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","159193","2020-10-21","18:00:00",""
"2106799","9.9174","","9.9174","","7.1199","","90","","90","","120","","606.457","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb3.06 Ca6.94) (V O4)6 (F0.85 O0.075)2","","- Ca6.94 F1.7 O24.15 Pb3.06 V6 -","- Ca6.94 F1.7 O24.14 Pb3.06 V6 -","- Ca6.94 F1.7 O24.14 Pb3.06 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. II. Equilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","159194","2020-10-21","18:00:00",""
"2106800","9.8441","","9.8441","","7.0635","","90","","90","","120","","592.792","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb1.76 Ca8.24) (V O4)6 (F0.75 O0.125)2","","- Ca8.24 F1.5 O24.25 Pb1.76 V6 -","- Ca8.28 F1.5 O24.26 Pb1.72 V6 -","- Ca8.28 F1.5 O24.26 Pb1.72 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. II. Equilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","159195","2020-10-21","18:00:00",""
"2106801","9.9559","","9.9559","","7.1508","","90","","90","","120","","613.827","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb3.82 Ca6.18) (V O4)6 (F0.73 O0.135)2","","- Ca6.18 F1.46 O24.27 Pb3.82 V6 -","- Ca6.18 F1.46 O24.28 Pb3.82 V6 -","- Ca6.18 F1.46 O24.28 Pb3.82 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. II. Equilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","159196","2020-10-21","18:00:00",""
"2106802","9.9856","","9.9856","","7.1825","","90","","90","","120","","620.233","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb4.42 Ca5.58) (V O4)6 (F0.85 O0.075)2","","- Ca5.58 F1.7 O24.15 Pb4.42 V6 -","- Ca5.58 F1.7 O24.15 Pb4.42 V6 -","- Ca5.58 F1.7 O24.15 Pb4.42 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. II. Equilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","159197","2020-10-21","18:00:00",""
"2106803","10.0233","","10.0233","","7.241","","90","","90","","120","","630.015","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb5.55 Ca4.45) (V O4)6 (F0.68 O0.16)2","","- Ca4.45 F1.36 O24.32 Pb5.55 V6 -","- Ca4.44 F1.36 O24.32 Pb5.56 V6 -","- Ca4.44 F1.36 O24.32 Pb5.56 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. II. Equilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","159198","2020-10-21","18:00:00",""
"2106804","10.0531","","10.0531","","7.3033","","90","","90","","120","","639.219","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb7 Ca3) (V O4)6 (F0.53 O0.235)2","","- Ca3 F1.06 O24.47 Pb7 V6 -","- Ca3.04 F1.06 O24.46 Pb6.96 V6 -","- Ca3.04 F1.06 O24.46 Pb6.96 V6 -","1","0.0833333","","Dong Zhili; White, T.J.","Calcium-lead fluoro-vanadinite apatites. II. Equilibrium structures","Acta Crystallographica B (39,1983-)","2004","60","","146","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","159199","2020-10-21","18:00:00",""