# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-08T19:38:29+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 C: Crystal Structure Communications') 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
"1000300","8.712","0.003","6.317","0.002","7.349","0.003","90","","115.04","0.03","90","","366.4","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Calcium aluminium fluoride - α","","- Al Ca F5 -","- Al Ca F5 -","- Al4 Ca4 F20 -","4","0.5","","Hemon, A.; Courbion, G.","Refinement of the room-temperature structure of α-CaAlF~5~","Acta Crystallographica, Section C: Crystal Structure Communications","1991","47","6","1302","1303","10.1107/s0108270190013956","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","200074","2020-10-21","18:00:00",""
"1000361","11.519","0.003","13.456","0.003","5.974","0.001","90","","90","","90","","926","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Tribarium scandium carbonate heptafluoride","","- C Ba3 F7 O3 Sc -","- C Ba3 F7 O3 Sc -","- C4 Ba12 F28 O12 Sc4 -","4","0.25","","Mercier, N.; Leblanc, M.","A scandium fluorocarbonate, Ba~3~Sc(CO~3~)F~7~","Acta Crystallographica, Section C: Crystal Structure Communications","1994","50","12","1862","1864","10.1107/s0108270194007328","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001425","9.701","0.003","18.848","0.002","6.389","0.005","90","","106.96","0.03","90","","1117.4","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Potassium dimolybdo(V)phosphate diphosphate - β","","- K Mo2 O13 P3 -","- K Mo2 O13 P3 -","- K4 Mo8 O52 P12 -","4","1","","Leclaire, A.; Borel, M. M.; Grandin, A.; Raveau, B.","Structure of a Molybdenum(V) Phosphate β-KMo~2~P~3~O~13~","Acta Crystallographica, Section C: Crystal Structure Communications","1990","46","11","2009","2011","10.1107/s0108270189011339","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1001428","5.2104","0.0004","8.0574","0.0005","12.344","0.001","90","","91.356","0.006","90","","518.1","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Calcium copper diphosphate","","- Ca Cu O7 P2 -","- Ca Cu O7 P2 -","- Ca4 Cu4 O28 P8 -","4","1","","Riou, D.; Goreaud, M.","CaCuP~2~O~7~:a structure closely related to α-Ca~2~P~2~O~7~","Acta Crystallographica, Section C: Crystal Structure Communications","1990","46","7","1191","1193","10.1107/s0108270189011704","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1001463","9.7536","0.0003","19.064","0.0016","6.3945","0.0007","90","","107.099","0.007","90","","1136.5","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Thallium dimolybdo(V)phosphatediphosphate - β","","- Mo2 O13 P3 Tl -","- Mo2 O13 P3 Tl -","- Mo8 O52 P12 Tl4 -","4","1","","Costentin, G.; Borel, M. M.; Grandin, A.; Leclaire, A.; Raveau, B.","Stucture of β-TlMo~2~P~3~O~13~","Acta Crystallographica, Section C: Crystal Structure Communications","1991","47","6","1136","1138","10.1107/s0108270190013282","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","200074","2020-10-21","18:00:00",""
"1001556","6.6858","0.0008","6.6858","0.0008","24.147","0.003","90","","90","","90","","1079.4","","","","","","","","","","","","","3","P 41","P 4w","76","","Calcium diphosphate - β","","- Ca2 O7 P2 -","- Ca2 O7 P2 -","- Ca16 O56 P16 -","8","2","","Boudin, S.; Grandin, A.; Borel, M. M.; Leclaire, A.; Raveau, B.","Redetermination of the β-Ca~2~P~2~O~7~ structure","Acta Crystallographica, Section C: Crystal Structure Communications","1993","49","12","2062","2064","10.1107/s0108270193005608","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","200074","2020-10-21","18:00:00",""
"1007187","9.899","0.004","11.042","0.007","7.632","0.009","109.53","0.06","106.74","0.06","100.91","0.04","714.2","","","","","","","","","","","","","5","P -1","-P 1","2","","Ammonium cyclo-hexaphosphate telluric acid dihydrate","","- H34 N6 O26 P6 Te -","- H34.076 N6 O26.038 P6 Te -","- H34.076 N6 O26.038 P6 Te -","1","0.5","","Averbuch-Pouchot, M. T.; Durif, A.","Crystal chemistry of cyclo-hexaphosphates. VI. Structure of ammonium cyclo-hexaphosphate tellurate dihydrate","Acta Crystallographica, Section C: Crystal Structure Communications","1990","46","2","179","181","10.1107/s0108270189006190","","","","","","0.018","","","","","","","","","","","","","","","has coordinates,has disorder","199680","2020-10-21","18:00:00",""
"1007225","7.651","0.002","21.78999","0.01","6.689","0.002","90","","113.85","0.03","90","","1019.9","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ammonium dihydrogendiphosphate - telluric acid (1/0.5)","","- H13 N2 O10 P2 Te0.5 -","- H13 N2 O10 P2 Te0.5 -","- H52 N8 O40 P8 Te2 -","4","1","","Averbuch-Pouchot, M. T.; Durif, A.","Structure of an adduct between diammonium dihydrogendiphoshate and telluric acid: (NH~4~)~2~H~2~P~2~O~7~ . Te(OH)~6~","Acta Crystallographica, Section C: Crystal Structure Communications","1992","48","6","973","975","10.1107/s0108270191013604","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1008335","6.416","0.002","7.727","0.003","7.298","0.002","90","","90","","90","","361.8","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Lithium dihydrogenarsenate","","- As H2 Li O4 -","- As H2 Li O4 -","- As4 H8 Li4 O16 -","4","1","","Fanchon, E.; Vicat, J.; Tran Qui, Duc; Boudjada, A.","Absolute structure of LiH~2~AsO~4~","Acta Crystallographica, Section C: Crystal Structure Communications","1987","43","6","1022","1025","10.1107/s0108270187093156","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:45",""
"1100030","4.1493","0.0002","4.1493","","8.7858","0.0005","90","","90","","90","","151.3","","","","","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","Titanium nitride - δ'","","- N Ti2 -","- N Ti2 -","- N4 Ti8 -","4","0.125","","Christensen, A. N.; Alamo, A.; Landesman, J. P.","Structure of vacancy-ordered titanium heminitride δ'-Ti~2~N by powder neutron diffraction","Acta Crystallographica, Section C: Crystal Structure Communications","1985","41","7","1009","1011","10.1107/s0108270185006370","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","200073","2020-10-21","18:00:00",""
"1100080","5.933","0.002","5.933","0.002","5.933","0.002","96.28","0.02","96.28","0.02","96.28","0.02","204.8","","","","","","","","","","","","","4","R 3 :R","P 3*","146","","Magnesium sulfate(IV) hexahydrate","","- H12 Mg O9 S -","- H12 Mg O9 S -","- H12 Mg O9 S -","1","0.333333","","Anderson, L.; Lindquist, O.","Neutron Diffraction Refinement of Magnesium Sulfite Hexahydrate, MgSO~3~.(H~2~O)~6~","Acta Crystallographica, Section C: Crystal Structure Communications","1984","40","4","584","586","10.1107/S0108270184004972","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","184397","2020-10-21","18:00:00",""
"1100277","6.056","0.001","14.434","0.006","21.298","0.004","90","","90","","90","","1861.71","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O8 -","- C19 H24 O8 -","- C76 H96 O32 -","4","1","","Harms, K.; Sheldrick, G. M.; Glüsenkamp, K.-H.; Tietze, L.-F.","An enantiospecific hetero Diels-Alder product","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","9","1268","1269","10.1107/S0108270186092636","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100281","10.34","0.005","10.809","0.005","13.613","0.001","97.53","0.04","101.65","0.04","113.84","0.03","1324.01","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N4 O4 -","- C30 H32 N4 O4 -","- C60 H64 N8 O8 -","2","1","","Harms, K.; Sheldrick, G. M.; Brüggemann, K.; Tietze, L. F.","Structure of an unexpected indole photolysis product","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","9","1264","1266","10.1107/S010827018609265X","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100282","8.424","0.001","14.773","0.002","22.165","0.002","90","","90","","90","","2758.38","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 O7 -","- C31 H32 O7 -","- C124 H128 O28 -","4","1","","Harms, K.; Sheldrick, G. M.; Glüsenkamp, K. H.; Tietze, L. F.","Structure of a photolysis product","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","9","1269","1271","10.1107/S0108270186092624","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100283","14.462","0.002","17.405","0.001","17.299","0.002","90","","90","","90","","4354.35","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H29 Cl N4 O3 -","- C23 H29 Cl N4 O3 -","- C184 H232 Cl8 N32 O24 -","8","1","","Harms, K.; Sheldrick, G. M.; Schul, W.; Tietze, L. F.","Structure of an indolochinolizine derivative","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","11","1665","1667","10.1107/S0108270186091023","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100284","7.779","0.006","9.332","0.003","19.627","0.009","90","","90","","90","","1424.8","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","","Harms, K.; Sheldrick, G. M.; Tietze, L.-F.","Stereochemistry of a hetero-Diels-Alder product","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","11","1664","1665","10.1107/S0108270186091035","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100285","8.745","0.002","33.451","0.005","8.845","0.002","90","","90","","90","","2587.42","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H18 O4 S -","- C12 H18 O4 S -","- C96 H144 O32 S8 -","8","1","","Harms, K.; Sheldrick, G. M.; Reichert, U.; Tietze, L. F.","Structure of a cycloheptenone derivative","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","11","1662","1663","10.1107/S0108270186091047","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100286","5.615","0.002","8.013","0.001","16.673","0.004","89.98","0.02","87.9","0.02","85.07","0.02","746.89","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O7 -","- C14 H18 O7 -","- C28 H36 O14 -","2","1","","Harms, K.; Jones, P. G.; Sheldrick, G. M.","Structure of an iridoid-like photolysis product","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","11","1661","1662","10.1107/S0108270186091059","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100324","15.595","0.002","18.672","0.004","19.023","0.005","90","","90","","90","","5539.3","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H71 Co N6 O14 -","- C54 H71 Co N6 O15 -","- C216 H284 Co4 N24 O60 -","4","1","","Battersby, A. R.; Grgurina, I.; Raithby, P. R.; Egert, E.; Harms, K.; Sheldrick, G. M.","Structure of dicyano-15-norcobyrinic acid heptamethyl ester","Acta Crystallographica, Section C: Crystal Structure Communications","1989","45","10","1589","1593","10.1107/S0108270189002969","","","","","","","","","","","","","","","","","","","","","has coordinates","176924","2020-10-21","18:00:00",""
"1546500","9.4092","0.0002","9.4092","0.0002","5.4276","0.0002","90","","90","","120","","416.14","0.02","","","295","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cl3 La3 O6 W -","- Cl3 La3 O6 W -","- Cl6 La6 O12 W2 -","2","0.166667","","Parise, J. B.; Brixner, L. H.; Prince, E.","Refinement of the structure of trilanthanum trichlorohexaoxotungstate, La~3~WO~6~Cl~3~, from neutron powder diffraction data","Acta Crystallographica, Section C: Crystal Structure Communications","1983","39","10","1326","1328","10.1107/s0108270183008409","powder diffraction","neutron","1.5416","","","","","","","","","","0.06","","","","","","","","has coordinates","200782","2020-10-21","18:00:00",""
"2000002","7.295","0.003","14.926","0.008","15.16","0.006","90","","90","","90","","1650.7","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(-)-(6'R)-3',6'-Epoxyaurapten","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","1","","Leblanc, M.; Ferey, G.; Rouessac, F.; Aziz, M.","Structure of (-)-(6'R)-3',6'-epoxyaurapten","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","7","1262","1264","10.1107/S0108270188003403","","","","","","","0.035","","","0.035","","","","","","","","","","","has coordinates","301791","2025-08-18","23:14:58",""
"2000003","6.263","0.002","7.965","0.002","26.51","0.01","90","","90","","90","","1322.45","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O S -","- C15 H18 O S -","- C60 H72 O4 S4 -","4","1","","Maignan, C.; Leblanc, M.","Room-temperature structure of α–β ethylenic sulfoxide C~15~H~18~OS: (-)-4,5-dimethyl-1-p-tolylsulfinyl-1,4-cyclohexadiene","Acta Crystallographica, Section C: Crystal Structure Communications","1990","46","5","915","917","10.1107/s0108270189013132","","","","","","","0.048","","","0.048","","","","","","","","","","","has coordinates","301791","2025-08-18","23:14:58",""
"2000004","7.729","0.001","7.18","0.001","16.206","0.003","90","","100.24","0.01","90","","885.014","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C42 H48 O6 -","2","1","","Bieber, L. W.; Leblanc, M.","Room-temperature structure of cordiaquinone B","Acta Crystallographica, Section C: Crystal Structure Communications","1990","46","5","911","913","10.1107/s0108270189012023","","","","","","","0.038","","","0.038","","","","","","","","","","","has coordinates","301791","2025-08-18","23:14:58",""
"2000005","7.15","0.002","10.284","0.002","27.726","0.002","90","","90","","90","","2038.71","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 O5 S -","- C19 H32 O5 S -","- C76 H128 O20 S4 -","4","1","","Yonezawa, S.; Leblanc, M.; Guesdon, A.; Alexandre, C.","1-(5-Methanesulfinyl-2,2,6-trimethyl-3a,3b,4,5,6,8a-hexahydro-1,3,8-trioxacyclopenta[a]inden-5-yl)hexan-1-ol","Acta Crystallographica, Section C: Crystal Structure Communications","1998","54","12","1986","1987","10.1107/s0108270198008804","","","","","","","0.0392","","","0.0392","","","","","","","","","","","has coordinates","301791","2025-08-18","23:14:58",""
"2000008","8.2513","0.0008","10.5006","0.0013","9.309","0.0008","90","","102.849","0.011","90","","786.369","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(-)-(SS)-alpha-Phenyl-2-(p-Tolylsulfinyl)-3-furanmethanol","","","- C18 H16 O3 S -","- C18 H16 O3 S -","- C36 H32 O6 S2 -","2","1","","Retoux, R.; Girodier, L.; Rouessac, F.","(-)-(S,S)-α-Phenyl-2-(p-tolylsulfinyl)-3-furanmethanol","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","146","148","10.1107/s0108270194006050","","","","","","","0.0329","","","0.0329","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000010","27.668","0.007","5.2391","0.0012","10.4134","0.0015","90","","90","","90","","1509.48","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C64 H72 O12 S4 -","4","1","","Retoux, R.; Molenkamp, J.; Bonfand, E.; Gosselin, P.; Maignan, C.","(RS)-4-p-Toluenesulfinylcyclohexa-1,4-dienecarboxylic Acid Ethyl Ester","Acta Crystallographica, Section C: Crystal Structure Communications","1996","52","9","2290","2292","10.1107/s0108270196005744","","","","","","","0.042","","","0.042","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000011","7.0123","0.0005","7.5297","0.0009","29.094","0.002","90","","90","","90","","1536.18","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O3 S -","- C17 H18 O3 S -","- C68 H72 O12 S4 -","4","1","","Retoux, R.; Guillot, C.; Maignan, C.","Structure determination of (1S;S~s~)-3-methoxy-1-phenyl-2-(p-tolylsulfinyl)-2-propen-1-ol (C~17~H~18~O~3~S)","Acta Crystallographica, Section C: Crystal Structure Communications","1993","49","3","629","630","10.1107/s0108270192011235","","","","","","","0.028","","","0.028","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000012","7.968","0.0014","8.1104","0.0011","23.761","0.003","90","","90","","90","","1535.52","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O3 S -","- C16 H20 O3 S -","- C64 H80 O12 S4 -","4","1","","Retoux, R.; Hayes, P.; Maignan, C.","(5S,SS)-7-Methyl-8-p-toluenesulfinyl-1,6-dioxaspiro[4.5]dec-7-ene","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","93","94","10.1107/s0108270194007298","","","","","","","0.0514","","","0.0514","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000013","8.5143","0.0007","11.8171","0.0006","14.752","0.0009","90","","90","","90","","1484.26","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 S -","- C16 H17 N O3 S -","- C64 H68 N4 O12 S4 -","4","1","","Gosselin, P.; Bonfand, E.; Maignan, C.; Retoux, R.","The Diels-Alder Adduct of an Enantiopure 2-Sulfinyldiene and Maleimide: (1S,2R,3S,SR)-3-Methyl-5-p-toluenesulfinylcyclohex-4-en-1,2-dicarboximide","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","94","","10.1107/s0108270194007304","","","","","","","0.0419","","","0.0419","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000049","7.924","0.003","12.154","0.005","7.188","0.003","90","","110.67","0.08","90","","647.702","","","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H18 N2 O11 Te -","- C4 H26 N2 O18 Te -","- C8 H52 N4 O36 Te2 -","2","0.5","","Qui, D. T.; Vicat, J.; Durif, A.","Structure of telluric acid-glycine (1:2) monohydrate, Te(OH)~6~ . 2C~2~H~5~NO~2~ . H2O, at 120 K and determination of hydrogen positions","Acta Crystallographica, Section C: Crystal Structure Communications","1984","40","1","181","184","10.1107/s0108270184003504","","","","","","","0.02","","","0.02","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000050","8.059","0.003","11.819","0.005","7.513","0.003","90","","110.12","0.05","90","","671.938","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Ethylene-1,2-diammonium monohydrogen phosphate","","","- C2 H11 N2 O4 P -","- C2 H11 N2 O4 P -","- C8 H44 N8 O16 P4 -","4","1","","Averbuch-Pouchot, M. T.; Durif, A.","Structures of ethylenediammonium monohydrogentetraoxophosphate(V) and ethylenediammonium monohydrogentetraoxoarsenate(V)","Acta Crystallographica, Section C: Crystal Structure Communications","1987","43","10","1894","1896","10.1107/S0108270187089716","","","","","","","0.03","","","0.03","","","","","","","","","","","has coordinates","301791","2025-08-18","23:14:58",""
"2000053","10.734","0.004","10.734","0.004","35.245","0.006","90","","90","","120","","3516.83","","","","","","","","","","","","","6","P 31 2 1","P 31 2""","152","Chloro-bis((-)ephedrene)-palladium(ii)","","","- C20 H29 Cl N2 O2 Pd -","- C20 H29 Cl N2 O2 Pd -","- C120 H174 Cl6 N12 O12 Pd6 -","6","1","","Bouquillon, S.; du Moulinet d'Hardemare, A.; Averbuch-Pouchot, M.-T.; Hénin, F.; Muzart, J.; Durif, A.","A coordination compound of (‒)-ephedrine and palladium(II)","Acta Crystallographica, Section C: Crystal Structure Communications","1999","55","12","2028","2030","10.1107/s0108270199011555","","","","","","","0.03","","","0.03","","","","","","","","","","","has coordinates","199776","2020-10-21","18:00:00",""
"2000055","10.433","0.009","8.163","0.006","8.062","0.006","90","","90.33","0.07","90","","686.585","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H11 As N2 O4 -","- C4 H21 As N4 O4 -","- C16 H84 As4 N16 O16 -","4","1","","Averbuch-Pouchot, M. T.; Durif, A.","Structures of ethylenediammonium monohydrogentetraoxophosphate(V) and ethylenediammonium monohydrogentetraoxoarsenate(V)","Acta Crystallographica, Section C: Crystal Structure Communications","1987","43","10","1894","1896","10.1107/s0108270187089716","","","","","","","0.038","","","0.038","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000056","11.699","0.009","10.164","0.009","6.835","0.004","90","","105","0.05","90","","785.047","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H24 N2 Na2 O14 P2 -","- C4 H34 N4 Na2 O14 P2 -","- C8 H68 N8 Na4 O28 P4 -","2","0.5","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structure of disodium ethylenediammonium bis[monohydrogentetraoxophosphate(V)] hexahydrate","Acta Crystallographica, Section C: Crystal Structure Communications","1987","43","10","1896","1898","10.1107/s0108270187089704","","","","","","","0.022","","","0.022","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000057","12.223","0.008","14.52","0.01","10.229","0.007","90","","100.47","0.05","90","","1785.2","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 N3 O15 P3 -","- C6 H18 N3 O15 P3 -","- C24 H72 N12 O60 P12 -","4","1","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structures of glycine monophosphate and glycine cyclo-triphosphate","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","1","99","102","10.1107/s0108270187008539","","","","","","","0.03","","","0.03","","","","","","","","","","","has coordinates","301791","2025-08-18","23:14:58",""
"2000058","12.144","0.007","15.361","0.005","7.203","0.007","90","","97.32","0.08","90","","1332.72","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H18 N3 O9 P3 -","- C3 H18 N3 O9 P3 -","- C12 H72 N12 O36 P12 -","4","1","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structure of tris(methylammonium) cyclo-triphosphate","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","1","97","98","10.1107/s0108270187008515","","","","","","","0.024","","","0.024","","","","","","","","","","","has coordinates","301791","2025-08-18","23:14:58",""
"2000060","7.988","0.005","8.449","0.005","9.739","0.005","111.64","0.05","105.27","0.05","99.4","0.05","563.986","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H24 N4 O20 P4 -","- C8 H24 N4 O20 P4 -","- C8 H24 N4 O20 P4 -","1","0.5","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structure of glycine cyclo-tetraphosphate","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","5","888","890","10.1107/s0108270188000496","","","","","","","0.025","","","0.025","","","","","","","","","","","has coordinates","301791","2025-08-18","23:14:58",""
"2000061","10.941","0.009","21.46","0.02","14.53","0.01","90","","90","","90","","3411.55","","","","","","","","","","","","","4","C 2 c b","C -2ac 2","41","","","","- C38 H40 N4 O4 -","- C76 H56 N8 O8 -","- C304 H224 N32 O32 -","4","","","Baret, P.; Moneta, W.; Pierre, J. L.; Averbuch-Pouchot, M. T.; Durif, A.","Structure of a Schiff-base macrocycle containing convergent methoxy groups","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","7","1254","1256","10.1107/s0108270188003592","","","","","","","0.055","","","0.055","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000062","14.611","0.003","18.709","0.003","7.861","0.002","90","","90","","90","","2148.86","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2 H25 Ca N2 O19.5 P4 -","- C4 H36 Ca N4 O33 P8 -","- C16 H144 Ca4 N16 O132 P32 -","4","0.5","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structure of a calcium ethylenediammonium cyclotetraphosphate hydrate","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","7","1189","1191","10.1107/s0108270188003622","","","","","","","0.031","","","0.031","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000063","10.746","0.008","10.746","0.008","10.071","0.008","90","","90","","90","","1162.96","","","","","","","","","","","","","5","I -4","I -4","82","","","","- C8 H32 N4 O16 P4 -","- C8 H32 N4 O52 P16 -","- C16 H64 N8 O104 P32 -","2","0.25","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structure of ethanolammonium cyclo-tetraphosphate","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","8","1416","1418","10.1107/s0108270188003981","","","","","","","0.034","","","0.034","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000064","25.22","0.02","12.22","0.02","15.45","0.02","90","","123.9","0.05","90","","3952.11","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9 H30 N3 O9 P3 -","- C9 H30 N3 O9 P3 -","- C72 H240 N24 O72 P24 -","8","2","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structure of isopropylammonium cyclo-triphosphate","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","11","1907","1909","10.1107/S0108270188008510","","","","","","","0.039","","","0.039","","","","","","","","","","","has coordinates","301791","2025-08-18","23:14:58",""
"2000065","20.85","0.008","9.044","0.004","11.653","0.005","90","","90","","90","","2197.38","","","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C2 H10 K N2 O9 P3 -","- C4 H20 K N4 O17 P5 -","- C32 H160 K8 N32 O136 P40 -","8","0.5","","Averbuch-Pouchot, M. T.; Durif, A.","Structure of potassium ethylenediammonium cyclo-triphosphate","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","11","1909","1911","10.1107/s0108270188008522","","","","","","","0.038","","","0.038","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000066","9.58","0.002","7.84","0.002","9.249","0.003","90","","114.7","0.2","90","","631.11","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 N O6 P -","- C2 H8 N O6 P -","- C8 H32 N4 O24 P4 -","4","1","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structures of glycine monophosphate and glycine cyclo-triphosphate","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","1","99","102","10.1107/s0108270187008539","","","","","","","0.024","","","0.024","","","","","","","","","","","has coordinates","301791","2025-08-18","23:14:58",""
"2000070","14.149","0.005","12.76","0.003","16.754","0.007","90","","107.68","0.03","90","","2881.92","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O S -","- C18 H16 O S -","- C144 H128 O8 S8 -","8","2","","Minassian, F.; Pelloux-Léon, N.; Durif, A.; Vallée, Y.","12-Formyl-9,10-dimethyl-9,10-dihydro-11-thia-9,10-ethanoanthracene","Acta Crystallographica, Section C: Crystal Structure Communications","1999","55","5","781","783","10.1107/s010827019801782x","","","","","","","0.041","","","0.041","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000071","13.162","0.008","13.301","0.008","12.308","0.008","90","","106.69","0.01","90","","2063.96","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H58 Cu N6 O38 P8 -","- C8 H66 Cu N6 O44 P8 -","- C16 H132 Cu2 N12 O88 P16 -","2","0.5","","Averbuch-Pouchot, M. T.; Durif, A.","Structure of copper tris(ethylenediammonium) bis(cyclo-tetraphosphate) tetradecahydrate","Acta Crystallographica, Section C: Crystal Structure Communications","1989","45","1","46","49","10.1107/s0108270188010431","","","","","","","0.037","","","0.037","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000072","10.32","0.008","12.39","0.004","11.219","0.002","90","","105.8","0.04","90","","1380.32","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 Cl4 O2 -","- C12 H10 Cl4 O2 -","- C48 H40 Cl16 O8 -","4","1","","Coquerel, Yoann; Blanc, Aurélien; Deprés, Jean-Pierre; Greene, Andrew E.; Averbuch-Pouchot, Marie-Thérèse; Philouze, Christian; Durif, André","(1R,2s,3S,6R,9S)-5,5,10,10-Tetrachloro-2-methyltricyclo[7.2.0.03,6]undec-7-ene-4,11-dione","Acta Crystallographica, Section C: Crystal Structure Communications","2000","56","12","1480","1481","10.1107/s0108270100012361","","","","","","","0.05","","","0.05","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000078","13.034","0.01","7.923","0.007","13.225","0.01","90","","107.43","0.05","90","","1303.02","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H17 N2 O12 P3 -","- C4 H30 N4 O16 P3 -","- C16 H120 N16 O64 P12 -","4","0.5","","Bagieu-Beucher, M.; Durif, A.; Guitel, J. C.","Structure of ethylenediammonium dihydrogentetraoxophosphate(V) pentahydrogenbis[tetraoxophosphate(V)]","Acta Crystallographica, Section C: Crystal Structure Communications","1989","45","3","421","423","10.1107/s0108270188011977","","","","","","","0.024","","","0.024","","","","","","","","","","","has coordinates","199750","2020-10-21","18:00:00",""
"2000079","16.115","0.02","5.829","0.002","8.019","0.005","90","","93.3","0.06","90","","752.01","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H10 N O6 P -","- C3 H10 N O6 P -","- C12 H40 N4 O24 P4 -","4","1","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structures of β-alanine, DL-alanine and sarcosine monophosphates","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","11","1968","1972","10.1107/s0108270188000502","","","","","","","0.038","","","0.038","","","","","","","","","","","has coordinates","301791","2025-08-18","23:14:58",""
"2000080","14.442","0.007","10.352","0.006","9.062","0.004","90","","119.08","0.04","90","","1184.02","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H17 N2 O8 P -","- C6 H20 N2 O12 P -","- C24 H80 N8 O48 P4 -","4","0.5","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structures of β-alanine, DL-alanine and sarcosine monophosphates","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","11","1968","1972","10.1107/s0108270188000502","","","","","","","0.032","","","0.032","","","","","","","","","","","has coordinates","199750","2020-10-21","18:00:00",""
"2000081","13.18","0.008","9.275","0.003","6.245","0.002","90","","90","","90","","763.417","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H10 N O6 P -","- C3 H10 N O6 P -","- C12 H40 N4 O24 P4 -","4","1","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structures of β-alanine, DL-alanine and sarcosine monophosphates","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","11","1968","1972","10.1107/s0108270188000502","","","","","","","0.023","","","0.023","","","","","","","","","","","has coordinates","301791","2025-08-18","23:14:58",""
"2000082","9.747","0.003","9.751","0.003","7.689","0.003","99.92","0.05","105.88","0.05","100.08","0.05","673.084","","","","294","","","","","","","","","6","P -1","-P 1","2","","Tetraammonium dimanganese cyclo-hexaphosphate oxalate hexahydrate","","- C2 H28 Mn2 N4 O28 P6 -","- C2 H28 Mn2 N4 O28 P6 -","- C2 H28 Mn2 N4 O28 P6 -","1","0.5","","Averbuch-Pouchot, M. T.; Durif, A.","Crystal chemistry of cyclo-hexaphosphates. IX. Structure of tetraammonium dimanganese cyclo-hexaphosphate oxalate hexahydrate","Acta Crystallographica, Section C: Crystal Structure Communications","1990","46","6","965","968","10.1107/s0108270189010371","","","","","","","0.03","","","0.03","","","","","","","","","","","has coordinates","205548","2020-10-21","18:00:00",""
"2000083","10.945","0.003","11.252","0.003","8.042","0.007","90.9","0.05","92.97","0.05","116.82","0.05","881.822","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H46 N6 O32 P6 Te2 -","- C8 H68 N8 O62 P12 Te2 -","- C8 H68 N8 O62 P12 Te2 -","1","0.5","","Averbuch-Pouchot, M. T.; Durif, A.","Crystal chemistry of cyclo-hexaphosphates. VII. Structure of tris(ethylenediammonium) cyclo-hexaphosphate tellurate dihydrate","Acta Crystallographica, Section C: Crystal Structure Communications","1990","46","11","2236","2238","10.1107/s0108270190003201","","","","","","","0.022","","","0.022","","","","","","","","","","","has coordinates","199750","2020-10-21","18:00:00",""
"2000084","11.064","0.005","12.317","0.005","9.342","0.005","90","","90.53","0.05","90","","1273.03","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H34 N6 O20 P6 -","- C8 H44 N8 O38 P12 -","- C16 H88 N16 O76 P24 -","2","0.5","","Durif, A.; Averbuch-Pouchot, M. T.","Crystal chemistry of cyclo-hexaphosphates. IV. Structures of tris(ethylenediammonium) cyclo-hexaphosphate dihydrate and copper bis(ethylenediammonium) cyclo-hexaphosphate hexahydrate","Acta Crystallographica, Section C: Crystal Structure Communications","1989","45","12","1884","1887","10.1107/s0108270189004579","","","","","","","0.03","","","0.03","","","","","","","","","","","has coordinates","199750","2020-10-21","18:00:00",""
"2000085","13.378","0.008","11.574","0.006","8.687","0.003","90","","103.15","0.03","90","","1309.8","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C4 H32 Cu N4 O24 P6 -","- C4 H44 Cu N4 O48 P12 -","- C8 H88 Cu2 N8 O96 P24 -","2","0.5","","Durif, A.; Averbuch-Pouchot, M. T.","Crystal chemistry of cyclo-hexaphosphates. IV. Structures of tris(ethylenediammonium) cyclo-hexaphosphate dihydrate and copper bis(ethylenediammonium) cyclo-hexaphosphate hexahydrate","Acta Crystallographica, Section C: Crystal Structure Communications","1989","45","12","1884","1887","10.1107/s0108270189004579","","","","","","","0.032","","","0.032","","","","","","","","","","","has coordinates","199750","2020-10-21","18:00:00",""
"2000086","5.607","0.005","13.296","0.005","9.833","0.008","90","","90.67","0.05","90","","733.007","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(4-nitrobenzoyl)-4-thiazolidinecarboxylic acid ethyl ester","","- C13 H14 N2 O5 S -","- C13 H14 N2 O5 S -","- C26 H28 N4 O10 S2 -","2","1","","Averbuch-Pouchot, M. T.; Durif, A.; Pera, M. H.; Hamri, A.","Structure of 3-(4-nitrobenzoyl)-4-thiazolidinecarboxylic acid ethyl ester","Acta Crystallographica, Section C: Crystal Structure Communications","1990","46","2","299","301","10.1107/s0108270189007109","","","","","","","0.041","","","0.041","","","","","","","","","","","has coordinates","301791","2025-08-18","23:14:58",""
"2000089","16.804","0.01","23.883","0.01","10.623","0.008","90","","109.66","0.02","90","","4014.8","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H56 N6 O22 P6 -","- C12 H56 N6 O22 P6 -","- C48 H224 N24 O88 P24 -","4","1","","Averbuch-Pouchot, M. T.; Durif, A.","Crystal chemistry of cyclo-hexaphosphates. XVIII. Structures of ethylammonium cyclo-hexaphosphate tetrahydrate and hydrazinium(1+) hydrazinium(2+) cyclo-hexaphosphate","Acta Crystallographica, Section C: Crystal Structure Communications","1991","47","8","1579","1583","10.1107/s0108270191001415","","","","","","","0.035","","","0.035","","","","","","","","","","","has coordinates","199750","2020-10-21","18:00:00",""
"2000090","18.543","0.003","4.561","0.004","15.342","0.003","90","","129.14","0.01","90","","1006.38","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C3 H16 N2 O8 P2 -","- C3 H16 N2 O8 P2 -","- C12 H64 N8 O32 P8 -","4","1","","Kamoun, S.; Jouini, A.; Daoud, A.; Durif, A.; Guitel, J. C.","Structure du diammonium-1,3 propane bis(dihydrogénomonophosphate)","Acta Crystallographica, Section C: Crystal Structure Communications","1992","48","1","133","135","10.1107/s0108270191008077","","","","","","","0.027","","","0.027","","","","","","","","","","","has coordinates","301791","2025-08-18","23:14:58",""
"2000100","10.108","0.002","10.925","0.002","13.061","0.006","100.05","0.02","107.65","0.03","90.24","0.02","1350.83","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H35 Ga2 N2 O18.5 -","- C17 H35 Ga2 N2 O18.5 -","- C34 H70 Ga4 N4 O37 -","2","1","","Jarjayes, O.; Du Moulinet D'Hardemare, A.; Durif, A.; Averbuch-Pouchot, M.-T.","A Phenoxo-Bridged Digallium(III) Complex with a Ligand Derived from 2,6-Bis{[N,N'-bis(carboxymethyl)amino]methyl}-4-methylphenol","Acta Crystallographica, Section C: Crystal Structure Communications","1998","54","7","931","933","10.1107/s0108270198000912","","","","","","","0.035","","","0.035","","","","","","","","","","","has coordinates","199646","2020-10-21","18:00:00",""
"2000105","15.558","0.008","10.45","0.006","7.639","0.004","104.14","0.05","102.73","0.05","86.71","0.05","1174.72","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H30 N6 O18 P6 -","- C8 H40 N8 O18 P6 -","- C16 H80 N16 O36 P12 -","2","1","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structure of tris(ethylenediammonium) bis(cyclo-triphosphate)","Acta Crystallographica, Section C: Crystal Structure Communications","1989","45","9","1320","1322","10.1107/s0108270189000909","","","","","","","0.027","","","0.027","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2000106","10.734","0.009","20.806","0.01","7.625","0.006","90","","90","","90","","1702.9","","","","","","","","","","","","","4","P b n 21","P 2c -2ab","33","","","","- C17 H25 N5 O2 -","- C17 H25 N5 O2 -","- C68 H100 N20 O8 -","4","1","","Dutasta, J. P.; Gellon, G.; Pierre, J. L.; Averbuch-Pouchot, M. T.; Durif, A.","Structure of a pyridyl-containing macrobicyclic molecule, potential transition-metal complexing agent and NADH model precursor","Acta Crystallographica, Section C: Crystal Structure Communications","1990","46","2","259","261","10.1107/s0108270189006189","","","","","","","0.055","","","0.055","","","","","","","","","","","has coordinates","301791","2025-08-18","23:14:58",""
"2000110","13.168","0.009","8.599","0.006","15.152","0.01","90","","90","","90","","1715.69","","","","","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C4 H22 N4 O13 P4 -","- C8 H44 N8 O25 P8 -","- C32 H176 N32 O100 P32 -","4","0.5","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structure of bis(ethylenediammonium) cyclo-tetraphosphate monohydrate","Acta Crystallographica, Section C: Crystal Structure Communications","1989","45","3","428","430","10.1107/s0108270188011989","","","","","","","0.033","","","0.033","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2000111","25.14","0.02","11.393","0.007","18.55","0.02","90","","116.07","0.07","90","","4772.53","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H27 N4 O6 P -","- C22 H27 N4 O6 P -","- C176 H216 N32 O48 P8 -","8","1","","Tordjman, I.; Durif, A.; Masse, R.","Structure of an antipyrine-monophosphoric acid complex","Acta Crystallographica, Section C: Crystal Structure Communications","1991","47","2","351","353","10.1107/s010827019000511x","","","","","","","0.041","","","0.041","","","","","","","","","","","has coordinates","301791","2025-08-18","23:14:58",""
"2000245","20.36","0.001","20.36","0.001","20.36","0.001","26.981","0.001","26.981","0.001","26.981","0.001","1532.2","0.1","","","","","","","","","","","","2","R -3 c :R","-P 3* 2n","","","","","- Mo15 Se19 -","- Mo15 Se19 -","- Mo30 Se38 -","2","0.166667","DU0274","Gougeon, P.; Potel, M.; Sergent, M.","Structure of the metastable binary β-Mo~15~Se~19~","Acta Crystallographica, Section C: Crystal Structure Communications","1991","47","9","1791","1794","10.1107/S0108270191003050","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","179677","2020-10-21","18:00:00",""
"2000736","6.51","0.001","6.51","0.001","6.51","0.001","89.47","0.02","89.47","0.02","89.47","0.02","275.86","0.07","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Mo6 S8 Sn0.854 -","- Mo6 S8 Sn0.854 -","- Mo6 S8 Sn0.854 -","1","0.166667","CR0368","Le Lay, L.; Powell, D. R.; Willis, T. C.","Structure of Sn~0.854~Mo~6~S~8~","Acta Crystallographica, Section C: Crystal Structure Communications","1992","48","7","1179","1182","10.1107/S0108270191014609","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","302839","2025-10-08","17:22:55",""
"2000751","15.408","0.006","19.974","0.007","23.264","0.011","107.78","0.04","103.54","0.04","101.51","0.03","6338","5","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 Ge O -","- C18 H16 Ge O -","- C288 H256 Ge16 O16 -","16","8","MU0293","Ferguson, G.; Gallagher, J. F.; Murphy, D.; Spalding, T. R.; Glidewell, C.; Holden, H. D.","The structure of triphenylgermanium hydroxide","Acta Crystallographica, Section C: Crystal Structure Communications","1992","48","7","1228","1231","10.1107/S0108270191015056","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","301791","2025-08-18","23:14:59",""
"2001539","18.677","0.002","13.817","0.001","20.225","0.003","90","","101.37","0.01","90","","5116.8","1","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dicarbonylbis(μ-3,5-dimethylpyrazolyl)bis(O-4-tolyl-P,P-diphenylphosphinite)diiridium(I) dichloromethane solvate","","- C51 H50 Cl2 Ir2 N4 O4 P2 -","- C50.959 H49.918 Cl1.918 Ir2 N4 O4 P2 -","- C203.836 H199.672 Cl7.672 Ir8 N16 O16 P8 -","4","1","ST1021","Faridδag, Ramy S.; Henling, Lawrence M.; Gray, Harry B.","Structure of dicarbonylbis-(μ-3,5-dimethylpyrazolyl)-bis(4-tolyl diphenylphosphinite)diiridium(I)‒dichloromethane (1/1)","Acta Crystallographica, Section C: Crystal Structure Communications","1993","49","7","1363","1365","10.1107/S010827019201299X","","","0.71073","MoKα","","0.0316","0.0316","","0.0025","0.0025","","","","1.46","1.46","1.46","","","","","has coordinates","180655","2020-10-21","18:00:00",""
"2001669","8.999","0.001","23.055","0.001","9.382","0.001","90","","108.58","0.01","90","","1845","0.3","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","","","","","- C13 H26 N4 O9 Pb -","- C13 H26 N4 O9 Pb -","- C52 H104 N16 O36 Pb4 -","4","1","CR1028","Inoue, M. B.; Fernando, Q.; Villegas, C. A.; Inoue, M.","Structure of a lead(II) complex of a new 13-membered macrocycle with two pendant carboxymethyl groups","Acta Crystallographica, Section C: Crystal Structure Communications","1993","49","5","875","878","10.1107/s0108270192013593","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","180654","2020-10-21","18:00:00",""
"2001971","10.902","0.002","10.902","0.002","7.74","0.002","90","","90","","120","","796.7","0.3","","","","","","","","","","","","3","P 31","P 31","144","","","","- Cs N O3 -","- Cs N O3 -","- Cs9 N9 O27 -","9","3","SE0089","Pohl, D.; Gross, T.","Caesium nitrate (II) at 296 K","Acta Crystallographica, Section C: Crystal Structure Communications","1993","49","2","316","318","10.1107/S0108270192006504","","","0.56087","Ag","","","","","","","","","","","","","","","","","has coordinates","303130","2025-11-01","10:28:40",""
"2002902","18.0105","0.0012","4.2413","0.0003","30.66","0.002","90","","93.297","0.005","90","","2338.2","0.3","150","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H42 S3 -","- C21 H42 S3 -","- C84 H168 S12 -","4","2","","Veldman, Nora; Spek, Anthony L.; Edema, Jilles J. H.; Kellogg, Richard M.","2,4,6-Trihexyl-1,3,5-trithiane","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","88","91","10.1107/s0108270194008115","","","0.71073","MoKα","","","0.0694","","0.1768","0.1286","","","","0.921","1.143","1.143","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2002903","13.044","0.003","6.847","0.002","9.465","0.004","90","","98.46","0.03","90","","836.1","0.5","294","2","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C7 H13 N O2 -","- C7 H13 N O2 -","- C28 H52 N4 O8 -","4","1","","Larsen, Ingrid Kjoller; Trickey, Peter","Cyclohexanecarbohydroxamic Acid","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","125","127","10.1107/S0108270194008413","","","0.71073","MoKα","","","0.0546","","0.2005","0.1446","","","","0.94","0.97","0.97","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2002904","8.677","0.002","9.438","0.002","13.504","0.003","90","","96.45","0.03","90","","1098.9","0.4","130","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H10 Br Cl O2 -","- C10 H10 Br Cl O2 -","- C40 H40 Br4 Cl4 O8 -","4","2","","Shaw, Joanne P.; Tan, Eng Wui; Blackman, Allan G.","Homochiral Methyl (2R,3S)-2-Chloro-3-bromo-3-phenylpropanoate","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","134","135","10.1107/S0108270194008218","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:21",""
"2002905","15.783","0.002","5.458","0.001","9.586","0.001","90","","104.97","0.01","90","","797.7","0.2","173","1","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Kopf, Jürgen; Schulz, Stefan","(1'R,2S,3R)-2-Hydroxy-2-(1-hydroxyethyl)-3-methyl-γ-butyrolactone","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","84","86","10.1107/s010827019400819x","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2002941","4.6","0.003","10.041","0.001","24.835","0.0003","90","","90","","90","","1147.1","0.8","123","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 N3 O4 -","- C11 H17 N3 O4 -","- C44 H68 N12 O16 -","4","1","","Napper, Scott; Stuart, Allan L.; Kumar, Sashi V. P.; Gupta, V. Sagar; Delbaere, Louis T. J.","5-Ethyl-2'-deoxycytidine, C~11~H~17~N~3~O~4~","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","96","98","10.1107/s0108270194005330","","","0.7093","MolybdenumKα","","","","","","","","","","","","","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2003107","8.695","0.0008","12.1085","0.0015","12.4538","0.0011","80.905","0.007","86.368","0.009","84.22","0.009","1286.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Hydrated,bis[(diethylenetrimine)copper]-μ-(1,3-imidazolate-N,N') triperchlorate","","- C11 H29 Cl3 Cu2 N8 O13 -","- C11 H27 Cl3 Cu2 N8 O13 -","- C22 H54 Cl6 Cu4 N16 O26 -","2","1","","Bu, Weiming; Ye, Ling; Zhu, Hailiang; Yang, Guangdi; Fan, Yuguo; Tang, Wenxia","μ-1,3-Imidazolyl-κN:κN'-bis[(diethylenetriaminato-κ^3^N)copper] triperchlorate hydrate","Acta Crystallographica, Section C: Crystal Structure Communications","1999","55","5","IUC9900045","","10.1107/s0108270199099527","","","0.71073","MoKα","","0.0548","0.0426","","0.0654","0.0521","","","","1.015","1.156","1.156","","","","","has coordinates","182018","2020-10-21","18:00:00",""
"2003167","8.2116","0.0007","11.229","0.001","7.5178","0.0009","108.507","0.008","113.336","0.007","73.187","0.007","592.9","0.1","294","","294","","","","","","","","","4","P -1","-P 1","2","Vanadyl bis(acetylacetonate)","Bis(2,4-pentanedionato)oxovanadium(IV)","","- C10 H14 O5 V -","- C10 H14 O5 V -","- C20 H28 O10 V2 -","2","1","FG1025","Shuter, Edward; Rettig, Steven J.; Orvig, Chris","Bis(2,4-pentanedionato)oxovanadium(IV), a Redetermination","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","12","14","10.1107/S0108270194010462","","","0.7107","MoKα","","0.149","0.037","","0.041","0.035","","","","","1.87","1.87","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003168","10.563","0.002","10.603","0.003","12.25","0.003","97.68","0.04","99.34","0.03","93.11","0.02","1337.6","0.5","293","","","","","","","","","","","8","P 1","P 1","1","","","","- C48 H38 Cl4 F6 Mn N5 O5 P6 -","- C48 H38 Cl4 F6 Mn N5 O5 P6 -","- C48 H38 Cl4 F6 Mn N5 O5 P6 -","1","1","","Carriedo, Gabino A.; Fernández, Lucia; Gómez, Paloma; Garcia-Granda, Santiago; Velázquez, Amador Menéndez","cis-trans-[{N~3~P~3~Cl~4~(C~6~H~5~)(PPh~2~)}Mn(CO)~2~(bipy) {P(OPh)~3~}]PF~6~. A Cationic Manganese‒Carbonyl Complex with a Phosphazenylphosphine Ligand","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","20","23","10.1107/s0108270194006943","","","0.71073","MoKα","","","0.0442","","0.1144","0.1082","","","","0.957","1.112","1.112","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2003169","12.674","0.003","20.023","0.004","11.494","0.003","90","","96.11","0.02","90","","2900.3","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","31-phenyl-13,16,19,22,25-pentoxa-2,6,31-diazaphosphatetracyclo [24,4,0,1^2,6^,0^7,12^]hentriaconta-1(26),7,9,11,27,29-hexene-31-sulfide","","- C29 H35 N2 O5 P S -","- C29 H35 N2 O5 P S -","- C116 H140 N8 O20 P4 S4 -","4","1","HU1098","Van Oostenryck, Luc; Tinant, Bernard; Declercq, Jean-Paul; Dutasta, Jean-Pierre","A Macrobicyclic Thiophosphonamide Polyether Ligand","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","80","84","10.1107/S0108270194003914","","","0.71069","MolybdenumKα","","0.0671","0.0487","","0.1386","0.1306","","","","1.061","1.176","1.176","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003170","16.791","0.012","15.927","0.011","10.922","0.006","90","","100.31","0.05","90","","2873.7","3.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","31-phenyl-13,16,19,22,25-pentoxa-2,6,31-diazaphosphatetracyclo [24,4,0,1^2,6^,0^7,12^]hentriaconta-1(26),7,9,11,27,29-hexene-31-sulfide","","- C29 H35 N2 O5 P S -","- C32 N2 O6 P S -","- C128 N8 O24 P4 S4 -","4","1","HU1098","Van Oostenryck, Luc; Tinant, Bernard; Declercq, Jean-Paul; Dutasta, Jean-Pierre","A Macrobicyclic Thiophosphonamide Polyether Ligand","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","80","84","10.1107/S0108270194003914","","","0.71069","MolybdenumKα","","0.086","0.056","","0.1607","0.1511","","","","1.063","1.19","1.19","","","","","has coordinates","269316","2021-09-26","23:26:48",""
"2003172","16.15","0.006","16.842","0.009","19.599","0.007","69.02","0.05","80.85","0.04","70.91","0.06","4698","","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C54 H54 O12 -","- C54 H54 O12 -","- C216 H216 O48 -","4","2","PA1110","Khrifi, Saad; Guelzim, Abdelhalim; Baert, Francois; Mussrabi, Mamoun; Asfari, Zouhair; Vicens, Jacques","7,15,23-Triphenyl-25,26,27-triethylester-2,3,10,11,18,19-hexahomo-3,9,11-trioxacalix[3]arene in a Partial-Cone Conformation","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","153","157","10.1107/s0108270194008036","","","0.71063","MoKα","","","0.059","","","0.059","","","","","","","","","","","has coordinates","303005","2025-10-27","14:04:45",""
"2003176","8.989","0.003","9.6878","0.0011","41.67","0.004","90","","90","","90","","3628.8","1.3","293","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N3 O -","- C22 H21 N3 O -","- C176 H168 N24 O8 -","8","1","","Olszewski, Piotr K.; Stadnicka, Katarzyna","Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","98","103","10.1107/S0108270194007742","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003178","8.5143","0.0007","11.8171","0.0006","14.752","0.0009","90","","90","","90","","1484.3","0.2","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 S -","- C16 H17 N O3 S -","- C64 H68 N4 O12 S4 -","4","1","","Gosselin, P.; Bonfand, E.; Maignan, C.; Retoux, R.","The Diels-Alder Adduct of an Enantiopure 2-Sulfinyldiene and Maleimide: (1S,2R,3S,R~s~)-3-Methyl-5-p-toluenesulfinylcyclohex-4-en-1,2-dicarboximide","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","94","96","10.1107/S0108270194007304","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2003179","5.607","0.002","10.954","0.003","27.452","0.015","90","","90","","90","","1686.1","1.1","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Chiaroni, Angèle; Deyine, Abdallah; Griffard-Brunet, Dominique; Langlois, Nicole; Riche, Claude","(3aS,3bR,6R,7aR)-2-Benzyl-1,2,3a,3b,4,7a-hexahydro-6-phenyl-3,5-dioxa- 2,6a-diazacyclopenta[a]pentalen-7-one","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","91","93","10.1107/S0108270194007316","","","1.5418","CuKα","","","0.037","","","0.052","","","","","1.04","1.04","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2003181","16.492","0.004","9.483","0.003","7.025","0.002","90","0.02","90","0.02","90","0.02","1098.7","0.5","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Luger, Peter; Weber, Manuela; Dung, Nguyen Xuan; Ky, Pham Thanh; Long, Phan Ke","Securinine, an Alkaloid from Fluggea virosa","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","127","129","10.1107/S0108270194007857","","","1.5418","CuKα","","","0.036","","0.029","0.026","","","","1.604","1.717","1.717","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2003183","8.785","0.002","11.233","0.002","14.555","0.003","72.47","0.01","84.54","0.01","69.54","0.01","1283.1","0.5","153","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 N4 O7 Pd S -","- C28 H16 N4 O8 Pd S2 -","- C56 H32 N8 O16 Pd2 S4 -","2","1","","Törnroos, Karl W.","A Dinitrato(diphenylphenanthroline)palladium(II) Complex","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","238","242","10.1107/S0108270194008887","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003184","9.325","0.001","11.474","0.002","17.418","0.003","90","","90","","90","","1863.6","0.5","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Lewinski, Krzysztof; Nitek, Wojciech; Oleksyn, Barbara J.; Stec, Boguslaw","Quitenine Ethyl Ester","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","282","285","10.1107/S0108270194010243","","","1.54178","CuKα","","","0.0335","","0.0946","0.0914","","","","1.029","1.045","1.045","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003185","9.685","0.003","7.128","0.002","13.572","0.004","90","","99.78","0.02","90","","923.3","0.5","293","2","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C7 H9 F3 N2 O2 -","- C7 H9 F3 N2 O2 -","- C28 H36 F12 N8 O8 -","4","1","","Tinant, Bernard; Declercq, Jean-Paul; Bouillon, Jean-Philippe","Oxime of 1-Methyl-3-trifluoroacetylpyrrolidin-2-one","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","270","272","10.1107/S0108270194010930","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003186","8.189","0.003","5.047","0.001","11.305","0.005","90","","96.12","0.02","90","","464.6","0.5","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H13 N3 O3 -","- C7 H13 N3 O3 -","- C14 H26 N6 O6 -","2","1","AS1117","Puliti, Raffaella; Mattia, Carlo Andrea","N-Acetylglycyl-L-alaninamide and N-Acetyl-L-alanyl-L-alaninamide","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","336","339","10.1107/s0108270194008577","","","1.54056","CuKα","","","0.03","","","0.033","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003187","5.5005","0.0004","9.429","0.001","20.712","0.002","90","","90","","90","","1074.2","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 N3 O3 -","- C8 H15 N3 O3 -","- C32 H60 N12 O12 -","4","1","AS1117","Puliti, Raffaella; Mattia, Carlo Andrea","N-Acetylglycyl-L-alaninamide and N-Acetyl-L-alanyl-L-alaninamide","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","336","339","10.1107/s0108270194008577","","","1.54056","CuKα","","","0.036","","","0.04","","","","","0.97","0.97","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003188","10.3118","0.0007","11.5912","0.0006","7.1818","0.0006","90","","90","","90","","858.41","0.08","293","","20","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl N O3 -","- C6 H11 Cl N O3 -","- C24 H44 Cl4 N4 O12 -","4","1","AS1139","Jones, Graham P.; Paleg, Leslie G.; Waisel, Yoav; Solomon, Aaron; Beer, Sven; Tiekink, Edward R. T.","trans-3-Hydroxy-N-methyl-L-proline Hydrochloride","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","287","289","10.1107/S0108270194009431","","","1.5418","CuKα","","","0.05","","","0.059","","","","","4.25","4.25","","","","","has coordinates","209634","2020-10-21","18:00:00",""
"2003189","9.347","0.008","4.772","0.007","12.967","0.005","90","","90.49","0.05","90","","578.3","0.8","23","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H16 N4 O5 -","- C9 H16 N4 O5 -","- C18 H32 N8 O10 -","2","1","","Delaere, Ian M.; Tate, Max E.; Jones, Graham P.; Tiekink, Edward R. T.","N-γ-L-Glutamyl-β-cyano-L-alanine, an Antinutritional Factor ex Vicia sativa L., as its Ammonium Salt","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","289","291","10.1107/S0108270194009443","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003190","20.503","0.003","13.436","0.002","22.916","0.004","90","","112.357","0.014","90","","5838.3","1.6","295","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H39 Cl Sn -","- C30 H39 Cl Sn -","- C240 H312 Cl8 Sn8 -","8","1","BK1044","Wharf, I.; Simard, M. G.; McGinn, K.","Tris(4-tert-butylphenyl)chlorotin(IV)","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","236","238","10.1107/S010827019400987X","","","1.5418","CuKα","","","0.051","","","0.054","","","","","2.94","2.94","","","","","has coordinates","209641","2020-10-21","18:00:00",""
"2003191","9.415","0.002","11.539","0.003","13.388","0.002","72.18","0.01","79.37","0.01","76.9","0.03","1338.2","0.5","294","","294","","","","","","","","","6","P -1","-P 1","2","","(η^5^-Cyclopentadienyl)[η^2^-diphenyl(o-phenylene)methyl] oxo(trimethylsilylmethylthio)tungsten(VI)","","- C29 H32 O S Si W -","- C29 H32 O S Si W -","- C58 H64 O2 S2 Si2 W2 -","2","1","BK1047","Brunet, Nathalie; Legzdins, Peter; Trotter, James; Yee, Vivien C.","(η5-Cyclopentadienyl)[2-(1,1-diphenylethyl-C^2^)phenyl-C^1^]oxo (trimethylsilylmethylthio)tungsten, [WO(C~4~H~11~SSi)(C~5~H~5~)(C~20~H~16~)]","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","193","195","10.1107/S0108270194007079","","","0.7093","MolybdenumKα~1~","","0.04","0.027","","0.032","0.032","","","","","1.25","1.25","","","","","has coordinates","190981","2020-10-21","18:00:00",""
"2003192","7.889","0.001","19.49","0.003","8.559","0.001","90","","101.7","0.01","90","","1288.7","0.6","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C56 H88 O12 -","4","1","","Park, Kwangyong; Swenson, Dale C.; Scott, William J.; Wiemer, David F.","(1β,5α,6β)-10,10-(1,2-Ethylenedioxy)-1,5-di-methylbicyclo [4.4.0]decan-4-one","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","268","270","10.1107/S0108270194008759","","","0.71073","MoKα","","","0.046","","","0.072","","","","","1.43","1.43","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2003193","26.377","0.004","8.297","0.002","9.994","0.002","90","","90","","90","","2187.2","0.8","298","","","","","","","","","","","4","P b c a","","","","","","- C9 H15 O5 P -","- C9 H15 O5 P -","- C72 H120 O40 P8 -","8","1","","Lane, Thomas M.; Rodriguez, Oscar P.; Sommese, Anthony G.; Cremer, Sheldon E.; Bennett, Dennis W.","cis-6-Methoxycarbonyl-2,10-dioxa-1-phosphabicyclo[4.4.0]decane 1-Oxide","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","251","253","10.1107/S0108270194008607","","","0.71069","MoKα","","","0.034","","","0.055","","","","","2.55","2.55","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003195","10.0416","0.0004","8.0285","0.0003","4.8553","0.0002","90","","90","","90","","391.43","0.04","298","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- As Be H2 Li O5 -","- As Be H2 Li O5 -","- As4 Be4 H8 Li4 O20 -","4","1","","Harrison, William T. A.; Gier, Thurman E.; Stucky, Galen D.","Lithium Berylloarsenate Hydrate, LiBeAsO~4~.H~2~O","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","181","183","10.1107/S0108270194010061","","","1.54178","CopperKα","","","","","","","","","","","","","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003196","10.026","0.004","9.23","0.003","16.943","0.007","90","","97.3","0.03","90","","1555.2","1","173","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N5 O -","- C17 H17 N5 O -","- C68 H68 N20 O4 -","4","1","","Lynch, Vincent M.; Hulme, Christopher; Magnus, Philip; Davis, Brian E.","Novel N-Acyl α-Azidopyrrolidines (N-Acyliminium-Ion Precursors)","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","262","265","10.1107/S0108270194005676","","","0.71073","MoKα","","","0.0489","","0.0575","0.0499","","","","","1.329","1.329","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2003197","10.198","0.002","18.087","0.003","10.232","0.002","90","","119.77","0.01","90","","1638.2","0.6","173","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N7 O4 -","- C14 H17 N7 O4 -","- C56 H68 N28 O16 -","4","1","","Lynch, Vincent M.; Hulme, Christopher; Magnus, Philip; Davis, Brian E.","Novel N-Acyl α-Azidopyrrolidines (N-Acyliminium-Ion Precursors)","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","262","265","10.1107/S0108270194005676","","","0.71073","MoKα","","","0.04","","0.0473","0.0411","","","","","1.213","1.213","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2003199","5.166","0.002","20.282","0.002","15.513","0.003","90","","96.41","0.03","90","","1615.2","0.5","294","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H16 O7 -","- C20 H16 O7 -","- C80 H64 O28 -","4","2","","Chan, Simon; Trotter, James","Aversin","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","272","274","10.1107/S0108270194010589","","","1.5418","CuKα","","","0.063","","0.085","0.079","","","","","1.47","1.47","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003200","4.533","0.001","16.537","0.003","12.687","0.003","90","","97.22","0.03","90","","943.5","0.3","569","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N O -","- C13 H9 N O -","- C52 H36 N4 O4 -","4","1","","Potts, Graham D.; Jones, William","9(10H)-Acridone","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","267","268","10.1107/S0108270194008565","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003203","9.446","0.001","10.817","0.003","15.1","0.002","90","","101.16","0.01","90","","1513.7","0.5","247","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N2 O4 -","- C14 H20 N2 O4 -","- C56 H80 N8 O16 -","4","1","","Numan, Milco; Schenk, Henk; Döpp, Dietrich","1,5-Di-tert-butyl-2,4-dinitrobenzene, C~14~H~20~N~2~O~4~","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","260","262","10.1107/S010827019400836X","","","1.5418","CuKα","","","0.07","","","0.087","","","","","0.235","0.235","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003204","11.453","0.002","12.119","0.002","17.444","0.004","90","","90","","90","","2421.2","0.8","295","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Cd N2 O5 -","- C12 H10 Cd N2 O5 -","- C96 H80 Cd8 N16 O40 -","8","1","","Clegg, William; Cressey, Jonathan T.; McCamley, Andrew; Straughan, Brian P.","The Polymeric Structure of Aquacadmium Bisnicotinate","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","234","235","10.1107/S0108270194007249","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2003208","9.958","0.003","9.961","0.004","12.978","0.006","90","0.03","90","0.03","90","0.03","1287.3","0.9","294","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O -","- C15 H24 O -","- C60 H96 O4 -","4","1","","Mukherjee, Monika; Mukherjee, Alok K.; Das, Sarbani; Mukherjee, Debabrata; Helliwell, Madeleine","(±)-7,7,9β-Trimethyl-6(αH)-cis-tricyclo[6.3.1.0^1,6^]dodecan-2-one","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","280","282","10.1107/S0108270194008632","","","1.5418","CuKα","","","0.0502","","0.1312","0.1217","","","","0.874","0.841","0.841","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003209","8.582","0.002","8.996","0.002","15.357","0.003","94.9","0.01","93.27","0.01","117.59","0.01","1040","1","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H27 N3 O3 -","- C24 H27 N3 O3 -","- C48 H54 N6 O6 -","2","1","","Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene","Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","246","249","10.1107/S0108270194005846","","","0.71069","MoKα","","","0.038","","","0.05","","","","","2.23","2.23","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003210","15.518","0.002","16.427","0.002","8.46","0.001","90","","90","","90","","2157","2","293","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H27 N3 O3 -","- C24 H27 N3 O3 -","- C96 H108 N12 O12 -","4","1","","Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene","Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","246","249","10.1107/S0108270194005846","","","1.5418","CuKα","","","0.027","","","0.036","","","","","1.88","1.88","","","","","has coordinates","301791","2025-08-18","23:15:22",""
"2003212","11.144","0.003","15.667","0.004","13.048","0.005","90","","96.32","0.03","90","","2264.2","1.2","140","2","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C40 H24 Cl2 Ir6 O14 P2 -","- C40 Cl2 Ir6 O14 P2 -","- C80 Cl4 Ir12 O28 P4 -","2","0.5","","Mazzanti, Marinella; Roulet, Raymond; Schenk, Kurt J.","Bis(diphenylphosphino)methanetetradecacarbonylhexairidium Dichloromethane Solvate","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","217","219","10.1107/S010827019400569X","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003213","9.197","0.002","17.323","0.004","25.841","0.007","90","","90","","90","","4117","2","293","2","","","","","","","","","","6","P 21 c n","P -2n 2a","33","","","","- C36 H48 Cl5 N2 P2 Re -","- C39 H37 Cl5 N2 P2 Re -","- C156 H148 Cl20 N8 P8 Re4 -","4","1","","Masciocchi, Norberto; Moret, Massimo; Ardizzoia, G. Attilio; La Monica, Girolamo","[ReCl~3~(C~8~H~11~P)~2~(C~7~H~11~N)~2~].C~6~H~4~Cl~2~","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","201","203","10.1107/s0108270194007420","","","0.71073","MoKα","","","0.045","","","0.112","","","","","1.101","1.101","","","","","has coordinates","249493","2020-10-21","18:00:00",""
"2003214","10.3254","0.0003","11.2915","0.0002","25.0237","0.0005","85.981","0.003","80.177","0.003","78.517","0.003","2815.2","0.4","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H76 Be Cl4 N2 O8 -","- C54 H76 Be Cl4 N2 O8 -","- C108 H152 Be2 Cl8 N4 O16 -","2","1","","Burzlaff, Hans; Lange, Joachim; Spengler, Roland; Karayannis, Miltiadis I.; Veltsistas, Panos G.","Bis(hexadecylpyridinium) Bis(3,6-dichloro-4,5- dihydroxy-3,5-cyclohexadiene-1,2-dionato-κ^2^O^4^,O^5^)]beryllium","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","190","193","10.1107/S0108270194006530","","","0.7107","MoKα1","","","0.068","","","0.032","","","","","1.44","1.44","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003216","6.192","0.004","6.297","0.003","8.106","0.001","96.6","0.008","104.517","0.008","102.864","0.007","293.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","aluminium potassium diarsenate","","- Al As2 K O7 -","- Al As2 K O7 -","- Al2 As4 K2 O14 -","2","1","NA1114","Boughzala, Habib; Jouini, Tahar","KAlAs~2~O~7~","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","179","181","10.1107/S0108270194010395","","","0.71069","MoKα","","0.0353","0.0331","","0.0902","0.0879","","","","0.537","0.555","0.555","","","","","has coordinates","249494","2020-10-21","18:00:00",""
"2003218","17.383","0.003","9.538","0.001","20.056","0.003","90","","102.6","0.01","90","","3245.2","0.8","173","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H51 O10 P3 -","- C27 H51 O10 P3 -","- C108 H204 O40 P12 -","4","1","","Ramm, Matthias; Costisella, Burkhard; Gross, Hans","Hexaethyl (3,5-Di-tert-butyl-4-hydroxyphenyl)methanetrisphosphonate at 173 K","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","274","277","10.1107/S0108270194009376","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003437","14.883","0.003","12.447","0.004","12.56","0.003","90","","90","","90","","2327","1","293","","","","","","","","","","?","2","P n m a","-P 2ac 2n","62","","","","- Al10 Mn3 -","- Al10.01 Mn2.99 -","- Al120.12 Mn35.88 -","12","1.5","","Pavlyuk, Volodymyr V.; Yanson, Tamara I.; Bodak, Oksana I.; Černý, Radovan; Gladyshevskii, Roman E.; Yvon, Klaus; Stepien-Damm, Julia","Structure Refinement of Orthorhombic MnAl~3~","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","5","792","794","10.1107/s0108270194012965","","","0.71073","MoKα","","","0.045","","","0.025","","","","","1.316","1.316","","","","","has coordinates","200796","2020-10-21","18:00:00",""
"2003785","7.214","0.001","10.513","0.001","19.459","0.002","90","","90.81","0.01","90","","1475.7","0.5","293","","","","","","","","","","slow evaporation","5","P 1 21 1","P 2yb","4","","","","- C13 H16 N4 O3 S -","- C13 H16 N4 O3 S -","- C52 H64 N16 O12 S4 -","4","2","","Tsiveriotis, P.; Hadjiliadis, N.; Dahan, F.; Laussac, J. P.","Methyl 4-Diethylamino-2-formamidothieno[2,3-d]pyrimidine-6-carboxylate","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","8","1607","1609","10.1107/S0108270194012692","","","0.71073","MoKα","","","0.021","","","0.025","","","","","0.85","0.85","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2003932","22.935","0.003","8.746","0.001","11.702","0.001","90","","95.66","0.01","90","","2335.9","0.5","298","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Ca N5 O13 -","- C18 H21 Ca N5 O13 -","- C72 H84 Ca4 N20 O52 -","4","1","NA1155","Hundal (née Sood), G.; Martínez-Ripoll, M.; Hundal, M. S.; Poonia, N. S.","Bis(2,4-dinitrophenolato)(triethanolamine)calcium(II)","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","9","1788","1791","10.1107/S0108270195003714","","","0.71073","MoKα","","","0.063","","","0.057","","","","","1.178","1.178","","","","","has coordinates","297161","2025-01-07","07:07:21",""
"2003980","15.63","0.002","7.722","0.002","12.986","0.002","90","","113.44","0.02","90","","1438","0.5","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O5 S -","- C13 H20 O5 S -","- C52 H80 O20 S4 -","4","1","AS1180","Lin, Chu-Chung; Lin, Chu-Cheng","<i>S</i>-Methyl (2<i>R</i>,6<i>S</i>,8<i>S</i>)-2,6-Dimethoxy-4-methyl-3,5-dioxatricyclo[5.2.1.0^4,9^]decane-8-thioate","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","10","2143","2145","10.1107/S0108270195005622","","","0.71069","MoKα","","","0.0556","","","0.0918","","","","","1.69","1.69","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004001","8.586","0.008","15.286","0.011","15.606","0.008","94.57","0.04","92.31","0.04","100.58","0.04","2004","3","295","2","","","","","","","","","?","5","P -1","-P 1","2","","","","- C22 H16 N2 S Se2 -","- C22 H16 N2 S Se2 -","- C88 H64 N8 S4 Se8 -","4","2","","Billing, David G.; Levendis, Demetrius C.; Reid, David H.; Rose, Beate G.","3,5-Diphenyl-2-(2-pyridylamino)-1-thia-6,6aλ^4^-diselenapentalene","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","10","2057","2059","10.1107/s0108270195001119","","","0.71067","MoKα","","","0.055","","","0.1576","","","","","0.895","0.895","","","","","has coordinates","200796","2020-10-21","18:00:00",""
"2004051","9.5394","0.0004","8.5756","0.0002","5.2508","0.0003","90","","110.124","0.002","90","","403.32","0.03","273","","","","","","","","","","Ohashi, Osawa & Sato (1989)","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga Li O6 Si2 -","- Ga Li O6 Si2 -","- Ga4 Li4 O24 Si8 -","4","1","","Sato, Akira; Osawa, Toshikazu; Ohashi, Haruo","Low-Temperature Form of LiGaSi~2~O~6~","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","10","1959","1960","10.1107/s0108270195004732","","","0.71073","MoKα","","","0.041","","","0.043","","","","","1.4","1.4","","","","","has coordinates","200796","2020-10-21","18:00:00",""
"2004075","9.131","0.002","6.775","0.001","7.769","0.002","90","","116.22","0.02","90","","431.1","0.2","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- F11 Mn Na Zr2 -","- F11 Mn Na Zr2 -","- F22 Mn2 Na2 Zr4 -","2","0.25","","Kettani, M. H.; Avignant, D.; Metin, J.","NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","11","2207","2210","10.1107/s0108270195006081","","","","","","","","","","","","","","","","","","","","","has coordinates","200796","2020-10-21","18:00:00",""
"2004076","9.069","0.003","6.736","0.001","7.757","0.001","90","","116.22","0.01","90","","425.1","0.2","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- F11 Fe Na Zr2 -","- F11 Fe Na Zr2 -","- F22 Fe2 Na2 Zr4 -","2","0.25","","Kettani, M. H.; Avignant, D.; Metin, J.","NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","11","2207","2210","10.1107/s0108270195006081","","","","","","","","","","","","","","","","","","","","","has coordinates","200796","2020-10-21","18:00:00",""
"2004077","9.037","0.001","6.7","0.001","7.725","0.002","90","","116.26","0.01","90","","419.5","0.1","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Co F11 Na Zr2 -","- Co F11 Na Zr2 -","- Co2 F22 Na2 Zr4 -","2","0.25","","Kettani, M. H.; Avignant, D.; Metin, J.","NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","11","2207","2210","10.1107/s0108270195006081","","","","","","","","","","","","","","","","","","","","","has coordinates","200796","2020-10-21","18:00:00",""
"2004078","9.002","0.002","6.675","0.001","7.709","0.001","90","","116.24","0.02","90","","415.5","0.2","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- F11 Na Ni Zr2 -","- F11 Na Ni Zr2 -","- F22 Na2 Ni2 Zr4 -","2","0.25","","Kettani, M. H.; Avignant, D.; Metin, J.","NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","11","2207","2210","10.1107/s0108270195006081","","","","","","","","","","","","","","","","","","","","","has coordinates","200796","2020-10-21","18:00:00",""
"2004240","9.197","0.004","3.1228","0.0009","12.303","0.004","90","","104.26","0.03","90","","342.5","0.4","293","","","","","","","","","","Synthetic","3","P 1 21/c 1","-P 2ybc","14","","","Suanite","- B2 Mg2 O5 -","- B2 Mg2 O5 -","- B8 Mg8 O20 -","4","1","","Guo, Guo-Cong; Cheng, Wen-Dan; Chen, Jiu-Tong; Zhuang, Hong-Hui; Huang, Jin-Shun; Zhang, Qian-Er","Monoclinic Mg~2~B~2~O~5~","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","12","2469","2471","10.1107/s0108270195008298","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2004306","9.5573","0.0005","8.7019","0.0002","5.2705","0.0003","90","","107.637","0.002","90","","417.73","0.04","296","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ga Na O6 Si2 -","- Ga Na O6 Si2 -","- Ga4 Na4 O24 Si8 -","4","0.5","","Ohashi, Haruo; Osawa, Toshikazu; Sato, Akira","Low-Density Form of NaGaSi~2~O~6~","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","12","2476","2477","10.1107/s010827019500775x","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2004377","14.265","0.004","14.261","0.003","3.305","0.001","88.41","0.02","91.7","0.03","119.95","0.03","582.2","0.3","295","2","","","","","","","","","","4","P 1","P 1","1","","","","- C Li Na O3 -","- C Li Na O3 -","- C9 Li9 Na9 O27 -","9","9","","Yatsenko, Alexandr V.; Zhukov, Sergei G.; D'yakov, Vladimir A.; Schenk, Hendrik.","Triclinic α-LiNaCO~3~","Acta Crystallographica, Section C: Crystal Structure Communications","1996","52","1","1","3","10.1107/s0108270195010584","","","","","","","","","","","","","","","","","","","","","has coordinates","200801","2020-10-21","18:00:00",""
"2004378","10.679","0.003","6.618","0.004","6.978","0.004","90","","90","","90","","493.2","0.4","293","2","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As K Mo O6 -","- As K Mo O6 -","- As4 K4 Mo4 O24 -","4","0.5","","Zid, M. F.; Jouini, T.","KMoO~2~AsO~4~","Acta Crystallographica, Section C: Crystal Structure Communications","1996","52","1","3","5","10.1107/s0108270195010572","","","","","","","","","","","","","","","","","","","","","has coordinates","200801","2020-10-21","18:00:00",""
"2005901","11.428","0.003","11.171","0.003","11.956","0.003","90","","106.86","0.02","90","","1460.7","0.7","294","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H34 Mo6 N4 O30 Zn -","- H34 Mo6 N4 O30 Zn -","- H68 Mo12 N8 O60 Zn2 -","2","0.5","","Allen, C. C.; Burns, R. C.; Lawrance, G. A.; Turner, P.; Hambley, T. W.","Tetraammonium Hexahydrogenhexamolybdozincate(II) Hexahydrate","Acta Crystallographica, Section C: Crystal Structure Communications","1997","53","1","7","9","10.1107/s0108270196011043","","","","","","","","","","","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2006197","9.3218","0.0007","9.5837","0.0005","15.5376","0.0008","94.431","0.01","101.179","0.011","99.73","0.01","1333.44","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Cl Fe N2 O4 -","- C32 H26 Cl Fe N2 O4 -","- C64 H52 Cl2 Fe2 N4 O8 -","2","1","CF1079","Elerman, Yalçın; Kabak, Mehmet; Ülkü, Dinçer","A Five-Coordinated Monomer of Chloro[<i>N</i>,<i>N</i>'-(di-2-hydroxy-1-naphthylidene)-1,2-diaminobenzene]iron(III)","Acta Crystallographica, Section C: Crystal Structure Communications","1997","53","6","712","714","10.1107/S0108270197000607","","","0.71073","MoKα","","0.072","0.067","","0.165","0.16","","","","1.143","1.15","1.15","","","","","has coordinates","291315","2024-04-22","13:30:51",""
"2006468","12.7982","0.0009","6.3937","0.0007","10.5853","0.0009","90","","90","","90","","866.2","0.1","110","3","110","3","","","","","","","","4","P n a 21","P 2c -2n","33","Potassium titanyl phosphate","Potassium oxotitanium phosphate(V)","","- K O5 P Ti -","- K O5 P Ti -","- K8 O40 P8 Ti8 -","8","2","DU1171","Dahaoui, Slimane; Hansen, Niels K.; Menaert, Bertrand","NaTiOPO~4~ and KTiOPO~4~ at 110 K","Acta Crystallographica, Section C: Crystal Structure Communications","1997","53","9","1173","1176","10.1107/s0108270197004265","","","0.56087","AgKα","","0.0123","0.0123","","","0.0119","","","","","1","1","","","","","has coordinates,has Fobs","180689","2020-10-21","18:00:00",""
"2007144","19.27","0.004","14.819","0.004","11.392","0.004","90","","90","","90","","3253.2","1.3","296","","296","","","","","","","","","3","P n a 21","P 2c -2n","33","phenolphthalein","","","- C20 H14 O4 -","- C20 H14 O4 -","- C160 H112 O32 -","8","2","","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Phenolphthalein and 3',3''-Dinitrophenolphthalein","Acta Crystallographica, Section C: Crystal Structure Communications","1998","54","4","535","539","10.1107/s0108270197015771","","","","","","","","","","","","","","","","","","","","","has coordinates","209653","2020-10-21","18:00:00",""
"2007145","27.634","0.002","8.122","0.004","15.741","0.003","90","","90","","90","","3533","1.9","296","","296","","","","","","","","","4","P b c n","-P 2n 2ab","60","3',3''-dinitrophenolphthalein","","","- C20 H12 N2 O8 -","- C20 H12 N2 O8 -","- C160 H96 N16 O64 -","8","1","BK1369","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Phenolphthalein and 3',3''-Dinitrophenolphthalein","Acta Crystallographica, Section C: Crystal Structure Communications","1998","54","4","535","539","10.1107/s0108270197015771","","","0.71073","MoKα","","","0.05","","","","0.122","","","","","","1.1","","","","has coordinates","301791","2025-08-18","23:15:30",""
"2007414","5.4942","0.0002","5.4942","0.0002","5.4942","0.0002","90","","90","","90","","165.85","0.02","293","","293","","","","1000000","5000","","","synthetic","2","P a -3","-P 2ac 2ab 3","205","","carbon dioxide","","- C O2 -","- C O2 -","- C4 O8 -","4","0.166667","","Downs, R. T.; Somayazulu, M. S.","Carbon dioxide at 1.0 GPa","Acta Crystallographica, Section C: Crystal Structure Communications","1998","54","7","897","898","10.1107/S0108270198001140","","","0.7107","MoKα","","0.078","0.041","","0.019","0.018","","","","","1.28","1.28","","","","","has coordinates","301791","2025-08-18","23:15:31",""
"2009464","11.823","0.005","14.433","0.005","20.857","0.005","90","","102.65","0.03","90","","3473","2","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 Cl4 Cu N2 -","- C35 H38 Cl4 Cu N2 -","- C140 H152 Cl16 Cu4 N8 -","4","1","MU1039","Zeng, G.-F.; Qin, M.; Lin, Y.-H.; Xi, S.-Q.","Tribenzylammonium dibenzylammonium tetrachlorocuprate","Acta Crystallographica, Section C: Crystal Structure Communications","1994","50","2","200","202","10.1107/S0108270193007735","","","0.71073","MoKα","","","0.054","","","0.053","","","","","","","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2009633","11.902","0.006","11.952","0.005","9.38","0.006","90","","90","","90","","1334","1","293","2","293","2","","","","","","","","3","P 21 c n","P -2n 2a","33","","trans,syn,cis-1-acetoxytricyclo[7.4.0.0^2,7^]tridecan-8-one","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","LI1073","Ianelli, S.; Nardelli, M.; Belletti, D.; Brosse, N.; Jamart-Grégoire, B.; Caubère, P.","Stereochemistry of transposition reactions involving polycyclic methylenecyclobutanol derivatives","Acta Crystallographica, Section C: Crystal Structure Communications","1994","50","4","569","574","10.1107/s0108270193010601","","","0.7093","MoKα~1~","","0.0445","0.0245","","","0.0471","","","","0.852","0.976","0.976","","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009634","10.769","0.002","15.185","0.002","15.849","0.002","90","","90.06","0.01","90","","2591.7","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","cis,anti,cis-1-acetoxy-7-hydroxytricyclo[7.3.0.0^2,7^]dodecan-8-one","","- C14 H20 O4 -","- C14 H20 O4 -","- C112 H160 O32 -","8","2","LI1073","Ianelli, S.; Nardelli, M.; Belletti, D.; Brosse, N.; Jamart-Grégoire, B.; Caubère, P.","Stereochemistry of transposition reactions involving polycyclic methylenecyclobutanol derivatives","Acta Crystallographica, Section C: Crystal Structure Communications","1994","50","4","569","574","10.1107/s0108270193010601","","","1.54056","CuKα~1~","","0.0966","0.0472","","0.1265","0.1238","","","","0.817","0.989","0.989","","","","","has coordinates","301791","2025-08-18","23:15:34",""
"2009636","6.89","0.002","15.798","0.004","27.201","0.007","90","","90","","90","","2960.8","1.4","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 N3 O4 -","- C16 H11 N3 O4 -","- C128 H88 N24 O32 -","8","2","NA1042","Özbey, S.; Kendi̇, E.; Hocaoglu, N.; Uyar, T.; Mak, T. C. W.; Cascarano, G. L.","2-Methyl-2-(4-nitrophenylazo)-1,3-indandione, C~16~H~11~N~3~O~4~","Acta Crystallographica, Section C: Crystal Structure Communications","1994","50","4","629","631","10.1107/S0108270193009862","","","0.7107","MoKα","","","0.043","","","0.039","","","","","1.5","1.5","","","","","has coordinates","291314","2024-04-22","13:06:42",""
"2010003","10.618","0.002","6.735","0.001","14.683","0.003","90","","90","","90","","1050","0.3","293","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H14 N4 Ni O4 -","- C9 H14 N4 Ni O4 -","- C36 H56 N16 Ni4 O16 -","4","0.5","VS1010","Trávníček, Z.; Marek, J.","{1,3,5,7-Tetraazabicyclo[3.3.1]nonane-3,7-bis(acetato)-<i>N</i>^3^,<i>N</i>^7^,<i>O</i>,<i>O</i>''}nickel(II)","Acta Crystallographica, Section C: Crystal Structure Communications","1994","50","8","1211","1212","10.1107/S0108270194000600","","","1.54178","CuKα","","","0.0361","","","0.0584","","","","","1.67","1.67","","","","","has coordinates","301798","2025-08-19","06:41:44",""
"2010336","6.596","0.004","10.774","0.004","14.09","0.01","90","","90","","90","","1001.3","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C Eu F3 Na2 O3 -","- C Eu F3 Na2 O3 -","- C8 Eu8 F24 Na16 O24 -","8","1","","Mercier, Nicolas; Leblanc, Marc","A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~","Acta Crystallographica, Section C: Crystal Structure Communications","1994","50","12","1864","1865","10.1107/s010827019400733x","","","","","","","0.0177","","","0.0451","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010384","6.4","0.001","10.767","0.001","11.203","0.002","91.62","0.01","91.34","0.02","102.2","0.2","753.9","0.2","295","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 N2 O3 -","- C15 H23 N2 O3 -","- C30 H46 N4 O6 -","2","1","","Olszak, Tomasz A.; Sobczynski, Piotr H.; Brzozowski, A. M.; Grabowski, M. J.; Gwozdzinski, Krzysztof","Piperidine Nitroxide Radicals with Heterocyclic Ring Substituents. 4-Hydroxy-2,2,6,6-tetramethyl-4-(2-pyridylmethyl 1-oxide)piperidine 1-oxide","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","121","123","10.1107/s0108270194007791","","","","","","","0.045","","","0.043","","","","","","","","","","","has coordinates","278247","2022-09-28","15:09:32",""
"2010477","5.603","0.002","23.641","0.004","12.643","0.002","73.42","0.01","76.34","0.03","84.92","0.02","1559","1","286","","296","","","","","","","","","5","P -1","-P 1","2","","4-(Diphenylmethylimino-oxy)tetrafluoropyridine","","- C18 H10 F4 N2 O -","- C18 H10 F4 N2 O -","- C72 H40 F16 N8 O4 -","4","2","LI1121","Banks, R. E.; Jondi, W. J.; Pritchard, R. G.; Tipping, A. E.","Benzophenone O-4-(2,3,5,6-Tetrafluoro)pyridyloxime, Formed by 4-Substitution of Pentafluoropyridine by Benzophenone Oximate","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","291","293","10.1107/s0108270194009121","","","0.71069","MoKα","","","0.037","","","0.025","","","","","2.32","2.32","","","","","has coordinates","301798","2025-08-19","06:41:46",""
"2010500","18.688","0.009","11.428","0.006","15.797","0.008","90","","90","","90","","3374","3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cis-5-Methyl-4-phenyl-3-(4-toluenesulfonyl)-1,3-oxazin-2-one","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C144 H152 N8 O32 S8 -","8","1","TA1011","Campi, Eva M.; Fallon, Gary D.; Holmes, Andrea; Perlmutter, Patrick; Teo, Chin C.","cis-5-Methyl-4-phenyl-3-(4-toluenesulfonyl)-1,3-oxazin-2-one","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","279","280","10.1107/S0108270194008838","","","1.5418","CuKα","","0.068","0.048","","0.106","0.058","","","","","0.772","0.772","","","","","has coordinates","301798","2025-08-19","06:41:46",""
"2010548","10.765","0.002","10.923","0.002","9.82","0.001","105.43","0.01","106.5","0.01","88.43","0.01","1065.8","0.3","299","","","","","","","","","","","4","P -1","-P 1","2","","tetrakis(μ-3,3-dimethylbutyrato-O:O')di(ethanol-O)dicopper(II) diethanol solvate","","- C32 H68 Cu2 O12 -","- C32 H56 Cu2 O12 -","- C32 H56 Cu2 O12 -","1","0.5","OA1094","Goto, Masato; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","Dimeric copper(II) 3,3-dimethylbutyrate adducts with ethanol, 2-methylpyridine, 3-methylpyridine, 4-methylpyridine and 3,3-dimethylbutyric acid","Acta Crystallographica, Section C: Crystal Structure Communications","2000","56","1","7","11","10.1107/s0108270199012172","","","0.71073","MoKα","","","0.076","","","","0.077","","","","","","1.44","","","","has coordinates","210928","2020-10-21","18:00:00",""
"2010549","10.04","0.002","18.468","0.001","11.649","0.001","90","","109.16","0.01","90","","2040.3","0.4","299","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C36 H58 Cu2 N2 O8 -","- C36 H58 Cu2 N2 O8 -","- C72 H116 Cu4 N4 O16 -","2","0.5","","Goto, Masato; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","Dimeric copper(II) 3,3-dimethylbutyrate adducts with ethanol, 2-methylpyridine, 3-methylpyridine, 4-methylpyridine and 3,3-dimethylbutyric acid","Acta Crystallographica, Section C: Crystal Structure Communications","2000","56","1","7","11","10.1107/s0108270199012172","","","","","","","","","","","","","","","","","","","","","has coordinates","301798","2025-08-19","06:41:46",""
"2010550","10.603","0.002","11.216","0.002","10.289","0.001","105.8","0.01","101.01","0.01","63.11","0.01","1046.7","0.3","299","","","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H58 Cu2 N2 O8 -","- C36 H58 Cu2 N2 O8 -","- C36 H58 Cu2 N2 O8 -","1","0.5","","Goto, Masato; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","Dimeric copper(II) 3,3-dimethylbutyrate adducts with ethanol, 2-methylpyridine, 3-methylpyridine, 4-methylpyridine and 3,3-dimethylbutyric acid","Acta Crystallographica, Section C: Crystal Structure Communications","2000","56","1","7","11","10.1107/s0108270199012172","","","","","","","","","","","","","","","","","","","","","has coordinates","301798","2025-08-19","06:41:46",""
"2010551","11.346","0.002","18.584","0.003","10.606","0.002","90.44","0.01","101.4","0.01","74.8","0.01","2113.2","0.6","297","","","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H58 Cu2 N2 O8 -","- C36 H58 Cu2 N2 O8 -","- C72 H116 Cu4 N4 O16 -","2","1","","Goto, Masato; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","Dimeric copper(II) 3,3-dimethylbutyrate adducts with ethanol, 2-methylpyridine, 3-methylpyridine, 4-methylpyridine and 3,3-dimethylbutyric acid","Acta Crystallographica, Section C: Crystal Structure Communications","2000","56","1","7","11","10.1107/s0108270199012172","","","","","","","","","","","","","","","","","","","","","has coordinates","301798","2025-08-19","06:41:46",""
"2010552","10.89","0.002","18.211","0.002","11.787","0.001","90","","103.98","0.01","90","","2268.2","0.5","297","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H68 Cu2 O12 -","- C36 H68 Cu2 O12 -","- C72 H136 Cu4 O24 -","2","0.5","","Goto, Masato; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","Dimeric copper(II) 3,3-dimethylbutyrate adducts with ethanol, 2-methylpyridine, 3-methylpyridine, 4-methylpyridine and 3,3-dimethylbutyric acid","Acta Crystallographica, Section C: Crystal Structure Communications","2000","56","1","7","11","10.1107/s0108270199012172","","","","","","","","","","","","","","","","","","","","","has coordinates","301798","2025-08-19","06:41:46",""
"2011566","8.849","0.0018","9.206","0.0013","9.8438","0.0019","63.196","0.014","76.908","0.015","73.937","0.013","683","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-(4-Methylphenyl)-N-2-propynyl-N-5-nitro-2-furfurylamine","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C30 H28 N4 O6 -","2","1","","Hergold-Brundić, Antonija; Pavlović, Gordana; Mance, Ana Dunja; Jakopčić, Krešimir","N-(4-Methylphenyl)-N-(5-nitrofurfuryl)-N-prop-2-ynylamine","Acta Crystallographica, Section C: Crystal Structure Communications","2000","56","11","e520","e521","10.1107/s0108270100013068","","","0.71073","MoKα","","0.078","0.039","","","","0.101","","","","","","0.973","","","","has coordinates,has Fobs","301798","2025-08-19","06:41:47",""
"2011575","8.9463","0.0001","21.7605","0.0001","19.0038","0.0002","90","","100.69","0.001","90","","3635.38","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 N4 Ni S4 -","- C42 H30 N4 Ni S4 -","- C168 H120 N16 Ni4 S16 -","4","1","","Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Wu, Ji; Tian, Yu-Peng; Xie, Fu-Xin; Shao, Ze-Huai; Li, Sheng-Li","Intra- and intermolecular C—H...π interactions in bis[benzyl 3-(fluoren-9-ylidene)dithiocarbazato-N^3^,S]nickel(II)","Acta Crystallographica, Section C: Crystal Structure Communications","2000","56","11","1321","1322","10.1107/s0108270100011628","","","0.71073","MoKα","","0.082","0.064","","","","0.111","","","","","","0.964","","","","has coordinates","218380","2020-10-21","18:00:00",""
"2011832","15.529","0.003","14.77","0.003","10.477","0.002","90","","92.02","0.03","90","","2401.5","0.8","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-hexavanadato(V)-bis[bis(2,2'-bipyridine)nickel(II)]","","- C40 H32 N8 Ni2 O17 V6 -","- C40 H32 N8 Ni2 O17 V6 -","- C80 H64 N16 Ni4 O34 V12 -","2","0.5","TA1302","Lin, Bi-Zhou; Liu, Shi-Xinog","Polymeric bis[bis(2,2'-bipyridine)nickel(II)] hexavanadate(V)","Acta Crystallographica, Section C: Crystal Structure Communications","2001","57","3","243","245","10.1107/S0108270100017339","","","0.71069","MoKα","","0.072","0.043","","0.13","","0.115","","","1.05","","","1.085","","","","has coordinates,has Fobs","209472","2020-10-21","18:00:00",""
"2012178","7.0402","0.0004","14.9404","0.0008","7.0433","0.0004","90","","90.702","0.001","90","","740.78","0.07","295","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium Aluminum Boron Oxide (2/1/5/10)","","- Al B5 Li2 O10 -","- Al B5 Li2 O10 -","- Al4 B20 Li8 O40 -","4","1","","He, Meng; Li, Hui; Chen, Xiaolong; Xu, Yanping; Xu, Tao","Li~2~AlB~5~O~10~","Acta Crystallographica, Section C: Crystal Structure Communications","2001","57","9","1010","1011","10.1107/S0108270101006205","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","190401","2020-10-21","18:00:00",""
"2012394","8.0566","0.0016","17.754","0.004","13.083","0.003","90","","94.2","0.03","90","","1866.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-dichlorobis(triethylarsine)platinum(II)","","- C12 H30 As2 Cl2 Pt -","- C12 H30 As2 Cl2 Pt -","- C48 H120 As8 Cl8 Pt4 -","4","1","","Otto, Stefanus; Muller, Alfred Johannes","cis-Dichlorobis(triethylarsine)platinum(II) and cis-dichlorobis(triethylphosphine)platinum(II)","Acta Crystallographica, Section C: Crystal Structure Communications","2001","57","12","1405","1407","10.1107/S0108270101016043","","","0.71073","MoKα","","0.0584","0.0343","","","0.0661","0.072","","","","","","0.93","","","","has coordinates","209639","2020-10-21","18:00:00",""
"2012395","19.773","0.004","7.531","0.0015","13.726","0.003","90","","117.31","0.03","90","","1816.1","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","cis-dichlorobis(triethylphosphine)platinum(II)","","- C12 H30 Cl2 P2 Pt -","- C12 H30 Cl2 P2 Pt -","- C48 H120 Cl8 P8 Pt4 -","4","1","","Otto, Stefanus; Muller, Alfred Johannes","cis-Dichlorobis(triethylarsine)platinum(II) and cis-dichlorobis(triethylphosphine)platinum(II)","Acta Crystallographica, Section C: Crystal Structure Communications","2001","57","12","1405","1407","10.1107/S0108270101016043","","","0.71073","MoKα","","0.0363","0.0341","","","0.0906","0.0921","","","","","","1.02","","","","has coordinates","209639","2020-10-21","18:00:00",""
"2012432","5.2347","0.0006","5.2421","0.0002","19.4177","0.0019","90","","90","","90","","532.84","0.08","298","","","","","","","","","","","3","A 21 a m","A -2 2a","36","","tricalcium dimanganese heptaoxide","","- Ca3 Mn2 O7 -","- Ca3 Mn2 O7 -","- Ca12 Mn8 O28 -","4","0.5","GD1169","Guiblin, Nicolas; Grebille, Dominique; Leligny, Henri; Martin, Christine","Ca~3~Mn~2~O~7~","Acta Crystallographica, Section C: Crystal Structure Communications","2002","58","1","i3","i5","10.1107/S0108270101018492","","","0.71073","MoKα","","0.092","0.023","","","0.014","0.015","","","","1.98","1.98","1.45","","","","has coordinates,has Fobs","210900","2020-10-21","18:00:00",""
"2014382","8.8451","0.0005","9.751","0.003","16.1106","0.001","98.127","0.008","90.392","0.005","107.899","0.01","1307.2","0.4","291","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,2,4,4-Tetra-tert-butyl-1,3,5,2,4-benzotrioxadisilepine-7-carbaldehyde","","- C23 H40 O4 Si2 -","- C23 H40 O4 Si2 -","- C46 H80 O8 Si4 -","2","1","SF1028","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Siquet, C.; Borges, F.","2,2,4,4-Tetra-<i>tert</i>-butyl-1,3,5,2,4-benzotrioxadisilepine-7-carbaldehyde","Acta Crystallographica, Section C: Crystal Structure Communications","2006","62","2","o96","o97","10.1107/s0108270105043052","","","1.54178","CuKα","","0.0711","0.0483","","","0.1294","0.1479","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","301798","2025-08-19","06:42:16",""
"2014432","5.882","0.001","19.694","0.001","7.491","0.0001","90","","91.715","0.01","90","","867.37","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N O3 -","- C10 H7 N O3 -","- C40 H28 N4 O12 -","4","1","","Trujillo-Ferrara, Jose G.; Padilla-Martínez, Itzia I.; Martínez-Martínez, Francisco J.; Höpfl, Herbert; Farfan-García, Norberto; García-Báez, Efrén V.","The E and Z isomers of 3-(benzoxazol-2-yl)prop-2-enoic acid","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o722","o726","10.1107/s0108270104017743","","","","","","","","","","","","","","","","","","","","","has coordinates","301798","2025-08-19","06:42:16",""
"2014433","9.8191","0.0019","9.905","0.002","18.32","0.004","90","","94.037","0.004","90","","1777.4","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H7 N O3 -","- C10 H7 N O3 -","- C80 H56 N8 O24 -","8","1","","Trujillo-Ferrara, Jose G.; Padilla-Martínez, Itzia I.; Martínez-Martínez, Francisco J.; Höpfl, Herbert; Farfan-García, Norberto; García-Báez, Efrén V.","The E and Z isomers of 3-(benzoxazol-2-yl)prop-2-enoic acid","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o722","o726","10.1107/s0108270104017743","","","","","","","","","","","","","","","","","","","","","has coordinates","301798","2025-08-19","06:42:16",""
"2014446","9.609","0.003","15.799","0.004","13.426","0.004","90","","98.189","0.005","90","","2017.5","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 O3 -","- C27 H22 O3 -","- C108 H88 O12 -","4","1","","Huang, Hua-Ming; Ding, Ying; Chen, Pei-Li; Meng, Ji-Ben","3,3-Bis(2-methoxyphenyl)-3H-benzo[f]chromene","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o709","o710","10.1107/s0108270104019067","","","","","","","","","","","","","","","","","","","","","has coordinates","301798","2025-08-19","06:42:16",""
"2014473","5.879","0.004","6.859","0.004","12.588","0.008","74.61","0.05","80.94","0.06","70.95","0.05","461.2","0.5","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N O6 -","- C8 H9 N O6 -","- C16 H18 N2 O12 -","2","1","","Fukunaga, Takeo; Kashino, Setsuo; Ishida, Hiroyuki","2-Pyridone–tartronic acid (1/1), 3-hydroxypyridinium hydrogen tartronate and 4-hydroxypyridinium hydrogen tartronate","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o717","o722","10.1107/s0108270104019201","","","","","","","","","","","","","","","","","","","","","has coordinates","301798","2025-08-19","06:42:16",""
"2014474","5.7563","0.0011","5.1871","0.0007","16.3206","0.0019","90","","92.186","0.013","90","","486.95","0.13","298","","298","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C8 H9 N O6 -","- C8 H9 N O6 -","- C16 H18 N2 O12 -","2","1","","Fukunaga, Takeo; Kashino, Setsuo; Ishida, Hiroyuki","2-Pyridone–tartronic acid (1/1), 3-hydroxypyridinium hydrogen tartronate and 4-hydroxypyridinium hydrogen tartronate","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o717","o722","10.1107/s0108270104019201","","","","","","","","","","","","","","","","","","","","","has coordinates","301798","2025-08-19","06:42:16",""
"2014475","4.0607","0.0013","13.144","0.003","8.696","0.002","90","","101.99","0.02","90","","454","0.2","298","","298","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C8 H9 N O6 -","- C8 H9 N O6 -","- C16 H18 N2 O12 -","2","1","","Fukunaga, Takeo; Kashino, Setsuo; Ishida, Hiroyuki","2-Pyridone–tartronic acid (1/1), 3-hydroxypyridinium hydrogen tartronate and 4-hydroxypyridinium hydrogen tartronate","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o717","o722","10.1107/s0108270104019201","","","","","","","","","","","","","","","","","","","","","has coordinates","301798","2025-08-19","06:42:16",""
"2014476","6.6423","0.001","14.734","0.003","11.817","0.002","90","","93.756","0.013","90","","1154","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-Camphoracetic acid","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","2","","Thompson, Hugh W.; Coté, Marie L.; Lalancette, Roger A.","(+)-Camphoracetic acid: catemeric hydrogen bonding in a γ-keto acid","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o727","o729","10.1107/s010827010401947x","","","","","","","","","","","","","","","","","","","","","has coordinates","301798","2025-08-19","06:42:16",""
"2014487","9.3538","0.0007","12.1757","0.0011","7.2286","0.0006","90","","104.593","0.004","90","","796.7","0.11","190","","190","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H4 N2 O2 -","- C3 H4 N2 O2 -","- C24 H32 N16 O16 -","8","1","","Yu, Fang-Lei; Schwalbe, Carl H.; Watkin, David J.","Hydantoin and hydrogen-bonding patterns in hydantoin derivatives","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o714","o717","10.1107/s0108270104017706","","","","","","","","","","","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014529","14.8737","0.0002","14.3865","0.0002","17.6287","0.0003","90","","90","","90","","3772.2","0.1","160","1","160","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 Cl N2 O5 -","- C20 H21 Cl N2 O5 -","- C160 H168 Cl8 N16 O40 -","8","1","","Linden, Anthony; Şafak, Cihat; Aydın, Fırat","Methyl 4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8- hexahydroquinoline-3-carboxylate","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o711","o713","10.1107/s0108270104019468","","","","","","","","","","","","","","","","","","","","","has coordinates","301798","2025-08-19","06:42:16",""
"2015452","7.6177","0.0001","27.6911","0.0004","29.9256","0.0004","90","","90","","90","","6312.58","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","7-ketolithocholic acid","(-)-3,7-Dioxo-5β-cholanic acid","","- C24 H36 O4 -","- C24 H36 O4 -","- C288 H432 O48 -","12","3","SK3014","Kikolski, Elizabeth M.; Lalancette, Roger A.; Thompson, Hugh W.","({-})-3,7-Dioxo-5β-cholanic acid: dual hydrogen-bonding modes in a diketonic bile-acid derivative","Acta Crystallographica, Section C: Crystal Structure Communications","2006","62","7","o394","o396","10.1107/S010827010601136X","","","1.54178","CuKα","","0.04","0.036","","","0.089","0.091","","","","","","1.07","","","","has coordinates","301798","2025-08-19","06:42:24",""
"2016854","9.9151","0.0008","8.8441","0.0007","5.4595","0.0004","90","","107.548","0.001","90","","456.47","0.06","295","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","sodium chromium digermanate","","- Cr Ge2 Na O6 -","- Cr Ge2 Na O6 -","- Cr4 Ge8 Na4 O24 -","4","0.5","FA3169","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg","Chromium-based clinopyroxene-type germanates NaCrGe~2~O~6~ and LiCrGe~2~O~6~ at 298K","Acta Crystallographica, Section C: Crystal Structure Communications","2008","64","12","i97","i102","10.1107/S0108270108037633","","","0.71073","MoKα","","","0.0214","","","","0.0559","","","","","","1.187","","","","has coordinates,has Fobs","282053","2023-03-24","19:00:10",""
"2016855","9.7989","0.0007","8.719","0.0007","5.341","0.0004","90","","108.905","0.004","90","","431.7","0.06","295","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","lithium chromium digermanate","","- Cr Ge2 Li O6 -","- Cr Ge2 Li O6 -","- Cr4 Ge8 Li4 O24 -","4","1","FA3169","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg","Chromium-based clinopyroxene-type germanates NaCrGe~2~O~6~ and LiCrGe~2~O~6~ at 298K","Acta Crystallographica, Section C: Crystal Structure Communications","2008","64","12","i97","i102","10.1107/S0108270108037633","","","0.71073","MoKα","","","0.0261","","","","0.0679","","","","","","1.115","","","","has coordinates,has Fobs","282053","2023-03-24","19:00:10",""
"2018885","10.506","0.003","4.187","0.001","17.337","0.012","90","","92.97","0.07","90","","761.6","0.6","295","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 Cl2 Hg N2 O -","- C4 H4 Cl2 Hg N2 O -","- C16 H16 Cl8 Hg4 N8 O4 -","4","1","","Quirós. Miguel; Enrique, Carmen","Structure of Dichloro(2-pyrimidinol-κN,O)mercury(II)","Acta Crystallographica, Section C: Crystal Structure Communications","1993","49","3","451","453","10.1107/s010827019200742x","","","0.71073","MoKα","","0.0805","0.059","","","","0.068","","","","","","1.4","","","","has coordinates","200783","2020-10-21","18:00:00",""
"2020139","10.95","","10.95","","7.8","","90","","90","","120","","809.941","","","","","","","","","","","","","3","P 31","P 31","144","","Cs (N O3)","","- Cs N O3 -","- Cs N O3 -","- Cs9 N9 O27 -","9","3","","Lucas, B. W.","The structure (neutron) of phase II cesium nitrate at 298 K, Cs N O3","Acta Crystallographica, Section C: Crystal Structure Communications","1983","39","12","1591","1594","","","","","","","","","","","","","","","","","","","","","","has coordinates","205147","2020-10-21","18:00:00",""
"2020187","9.096","","9.991","","16.87","","99.16","","97.55","","98.38","","1478.53","","","","","","","","","","","","","5","P -1","-P 1","2","","Fe3 (C O)9 (Ge (Re (C O)5))2","","- C19 Fe3 Ge2 O19 Re2 -","- C19 Fe3 Ge2 O19 Re2 -","- C38 Fe6 Ge4 O38 Re4 -","2","1","","Haupt, H. J.; Flörke, U.","Nonacarbonylbis{μ~3~-[(pentacarbonylrhenio)germanio(IV)]-Ge} -triangulo-triiron(Fe‒Fe)","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","3","472","474","10.1107/s0108270187011818","","","","","","","","","","","","","","","","","","","","","has coordinates","202192","2020-10-21","18:00:00",""
"2020247","8.327","","12.596","","14.048","","90","","97.92","","90","","1459.4","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Mg (H2 O)6) (Zn Br4) (H2 O)","","- Br4 H14 Mg O7 Zn -","- Br4 H14 Mg O7 Zn -","- Br16 H56 Mg4 O28 Zn4 -","4","1","","Duhlev, R.; Brown, I. D.","Structure of magnesium zinc tetrabromide heptahydrate, Mg Zn Br4 (H2 O)7","Acta Crystallographica, Section C: Crystal Structure Communications","1989","45","5","697","699","10.1107/s0108270189001708","","","","","","","","","","","","","","","","","","","","","has coordinates","203505","2020-10-21","18:00:00",""
"2020520","5.605","0.003","13.181","0.004","5.003","0.002","90","","90","","90","","369.6","0.3","295","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Strontium tellurate","","- O4 Sr Te -","- O4 Sr Te -","- O16 Sr4 Te4 -","4","0.5","","Lapasset, J.; Moret, J.","Structure de SrTeO~4~ sur monocristal. Organisation de structures comportant des empilements de chaînes (TeO~4~)~n~. Dimorphisme de Na~2~TeO~4~","Acta Crystallographica, Section C: Crystal Structure Communications","1985","41","11","1558","1562","10.1107/s0108270185008551","","","","","","","","","","","","","","","","","","","","","has coordinates","200779","2020-10-21","18:00:00",""
"2020635","13.214","0.002","13.043","0.002","9.5501","0.0008","90","","94.01","0.01","90","","1641.9","0.4","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","BaGe2O5-II","","","- Ba Ge2 O5 -","- Ba Ge2 O5 -","- Ba16 Ge32 O80 -","16","4","","Ozima, M.","Structure of high-pressure phases of barium germanium oxide, BaGe~2~O~5~","Acta Crystallographica, Section C: Crystal Structure Communications","1985","41","7","1003","1007","10.1107/s0108270185006357","","","","","","","","","","","","","","","","","","","","","has coordinates","200795","2020-10-21","18:00:00",""
"2020636","5.5632","0.0002","9.8711","0.0006","14.3231","0.0012","90","","90","","90","","786.55","0.09","","","","","","","","","","","","3","C m c e","-C 2ac 2","64","BaGe2O5 III","","","- Ba Ge2 O5 -","- Ba Ge2 O5 -","- Ba8 Ge16 O40 -","8","0.5","","Ozima, M.","Structure of high-pressure phases of barium germanium oxide, BaGe~2~O~5~","Acta Crystallographica, Section C: Crystal Structure Communications","1985","41","7","1003","1007","10.1107/s0108270185006357","","","","","","","","","","","","","","","","","","","","","has coordinates","200795","2020-10-21","18:00:00",""
"2020751","17.649","0.002","12.143","0.002","5.3688","0.0002","90","","105.756","0.005","90","","1107.4","0.2","","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- K2 Mo3 O12 Th -","- K2 Mo3 O12 Th -","- K8 Mo12 O48 Th4 -","4","0.5","","Huyghe, M.; Lee, M. R.; Quarton, M.; Robert, F.","Structure cristalline de K~2~Th(MoO~4~)~3~","Acta Crystallographica, Section C: Crystal Structure Communications","1991","47","2","244","246","10.1107/s0108270190008435","","x-ray","0.71069","MoKα","","","0.025","","","0.024","","","","","","","","","","","has coordinates","200783","2020-10-21","18:00:00",""
"2020752","11.586","0.003","11.586","0.003","13.069","0.002","90","","90","","90","","1754.3","0.7","","","293","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- K4 Mo4 O16 Th -","- K4 Mo4 O16 Th -","- K16 Mo16 O64 Th4 -","4","0.25","","Huyghe, M.; Lee, M. R.; Quarton, M.; Robert, F.","Structure cristalline de K~4~Th(MoO~4~)~4~","Acta Crystallographica, Section C: Crystal Structure Communications","1991","47","9","1797","1799","10.1107/s0108270191003025","","x-ray","0.71069","MoKα","","","0.022","","","0.024","","","","","","","1.6","","","","has coordinates","200783","2020-10-21","18:00:00",""
"2020753","7.097","0.001","3.942","0.001","4.851","0.001","90","","117.63","0.01","90","","120.24","0.04","","","293","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- F3 H Sr -","- F3 Sr -","- F6 Sr2 -","2","0.5","","Massa, Werner; Herdtweck, Eberhardt","Erdalkakihydrogenfluoride SrF(HF~2~) und BaF(HF~2~)","Acta Crystallographica, Section C: Crystal Structure Communications","1983","39","5","509","512","10.1107/s0108270183005314","","x-ray","0.71069","MoKα","","","0.036","","","0.029","","","","","","","","","","","has coordinates","200783","2020-10-21","18:00:00",""
"2020754","7.3","0.001","4.312","0.001","4.99","0.001","90","","115.52","0.01","90","","141.75","0.05","","","293","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ba F3 H -","- Ba F3 -","- Ba2 F6 -","2","0.5","","Massa, Werner; Herdtweck, Eberhardt","Erdalkakihydrogenfluoride SrF(HF~2~) und BaF(HF~2~)","Acta Crystallographica, Section C: Crystal Structure Communications","1983","39","5","509","512","10.1107/s0108270183005314","","x-ray","0.71069","MoKα","","","0.019","","","0.016","","","","","","","","","","","has coordinates","200783","2020-10-21","18:00:00",""
"2020755","9.735","0.002","21","0.005","7.14","0.004","90","","75.98","0.02","90","","1416.2","0.9","","","293","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H32 Cl2 N2 O4 Sn -","- C30 Cl2 N2 O4 Sn -","- C60 Cl4 N4 O8 Sn2 -","2","0.5","","Kamwaya, M. E.; Khoo, L. E.","Molecular adduct of dimethyltin dichloride with 2-(p-methoxyphenyliminomethyl)phenol, [SnCl~2~(CH~3~)~2~(C~14~H~13~NO~2~)~2~]","Acta Crystallographica, Section C: Crystal Structure Communications","1985","41","7","1027","1029","10.1107/s0108270185006448","","x-ray","0.71069","MoKα","","","0.0417","","","0.042","","","","","","","","","","","has coordinates","200783","2020-10-21","18:00:00",""
"2020756","11.512","0.003","3.564","0.001","4.368","0.001","90","","90","","90","","179.21","0.08","","","292","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","","","","- O5 V2 -","- O5 V2 -","- O10 V4 -","2","0.25","","Enjalbert, Renee; Galy, Jean","A refinement of the structure of V~2~O~5~","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","11","1467","1469","10.1107/s0108270186091825","","x-ray","0.71069","MoKα","","","0.02","","","0.027","","","","","","","","","","","has coordinates","200783","2020-10-21","18:00:00",""
"2020897","7.8586","0.0002","7.8586","0.0002","7.8586","0.0002","90","","90","","90","","485.33","0.02","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Lead(II) nitrate","","- N2 O6 Pb -","- N2 O6 Pb -","- N8 O24 Pb4 -","4","0.166667","","Nowotny, H.; Heger, G.","Structure refinement of lead nitrate","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","2","133","135","10.1107/s0108270186097032","","neutron","0.8313","","","0.034","0.019","","0.037","0.015","","","","","","","","","","","has coordinates","303130","2025-11-01","10:28:40",""